USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 829 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 46 CYS SG : rot 21:sc= -0.566 USER MOD Set 1.2: A 48 THR OG1 : rot 92:sc= 0.316 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.0528 (180deg=0) USER MOD Single : A 2 SER OG : rot 27:sc= 0.0525 USER MOD Single : A 3 SER OG : rot 54:sc= 0.559 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -0.15 (180deg=-0.157) USER MOD Single : A 18 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-4.5) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc=-0.00755 X(o=-0.0075,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.04 K(o=-1,f=-5.5!) USER MOD Single : A 33 TYR OH : rot 130:sc= -0.185 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.583 K(o=-0.58,f=-3.3!) USER MOD Single : A 47 ASN : amide:sc= -0.609 X(o=-0.61,f=-0.58) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc=-0.000925 (180deg=-0.0935) USER MOD Single : A 60 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -100:sc= -0.0864 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -154:sc= -0.129 (180deg=-0.575) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -127:sc= -0.148 (180deg=-1.36!) USER MOD Single : A 104 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.924 16.160 -25.438 1.00 0.00 N ATOM 2 CA GLY A 1 -11.286 17.367 -24.717 1.00 0.00 C ATOM 3 C GLY A 1 -11.792 17.076 -23.318 1.00 0.00 C ATOM 4 O GLY A 1 -11.544 16.001 -22.772 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.085 16.344 -26.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.713 15.400 -24.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.715 15.870 -26.048 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.419 18.025 -24.657 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.055 17.903 -25.274 1.00 0.00 H new ATOM 8 N SER A 2 -12.503 18.037 -22.736 1.00 0.00 N ATOM 9 CA SER A 2 -13.040 17.881 -21.389 1.00 0.00 C ATOM 10 C SER A 2 -14.548 18.111 -21.376 1.00 0.00 C ATOM 11 O SER A 2 -15.038 19.115 -21.893 1.00 0.00 O ATOM 12 CB SER A 2 -12.356 18.854 -20.428 1.00 0.00 C ATOM 13 OG SER A 2 -12.573 20.198 -20.823 1.00 0.00 O ATOM 0 H SER A 2 -12.720 18.931 -23.176 1.00 0.00 H new ATOM 0 HA SER A 2 -12.842 16.860 -21.062 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.738 18.702 -19.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.286 18.649 -20.398 1.00 0.00 H new ATOM 0 HG SER A 2 -13.416 20.261 -21.319 1.00 0.00 H new ATOM 19 N SER A 3 -15.279 17.174 -20.782 1.00 0.00 N ATOM 20 CA SER A 3 -16.732 17.271 -20.704 1.00 0.00 C ATOM 21 C SER A 3 -17.194 17.353 -19.252 1.00 0.00 C ATOM 22 O SER A 3 -17.644 16.364 -18.675 1.00 0.00 O ATOM 23 CB SER A 3 -17.382 16.069 -21.391 1.00 0.00 C ATOM 24 OG SER A 3 -16.942 14.852 -20.814 1.00 0.00 O ATOM 0 H SER A 3 -14.889 16.338 -20.347 1.00 0.00 H new ATOM 0 HA SER A 3 -17.039 18.183 -21.216 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.466 16.142 -21.310 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.141 16.079 -22.454 1.00 0.00 H new ATOM 0 HG SER A 3 -17.089 14.877 -19.845 1.00 0.00 H new ATOM 30 N GLY A 4 -17.078 18.542 -18.667 1.00 0.00 N ATOM 31 CA GLY A 4 -17.487 18.732 -17.287 1.00 0.00 C ATOM 32 C GLY A 4 -16.843 17.732 -16.348 1.00 0.00 C ATOM 33 O GLY A 4 -15.754 17.227 -16.620 1.00 0.00 O ATOM 0 H GLY A 4 -16.709 19.376 -19.124 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.228 19.742 -16.970 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.571 18.645 -17.217 1.00 0.00 H new ATOM 37 N SER A 5 -17.517 17.446 -15.239 1.00 0.00 N ATOM 38 CA SER A 5 -17.001 16.503 -14.253 1.00 0.00 C ATOM 39 C SER A 5 -15.511 16.729 -14.013 1.00 0.00 C ATOM 40 O SER A 5 -14.716 15.790 -14.051 1.00 0.00 O ATOM 41 CB SER A 5 -17.242 15.065 -14.716 1.00 0.00 C ATOM 42 OG SER A 5 -18.589 14.679 -14.499 1.00 0.00 O ATOM 0 H SER A 5 -18.421 17.853 -15.000 1.00 0.00 H new ATOM 0 HA SER A 5 -17.532 16.669 -13.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.001 14.975 -15.775 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.576 14.390 -14.179 1.00 0.00 H new ATOM 0 HG SER A 5 -18.718 13.757 -14.805 1.00 0.00 H new ATOM 48 N SER A 6 -15.141 17.982 -13.766 1.00 0.00 N ATOM 49 CA SER A 6 -13.747 18.333 -13.524 1.00 0.00 C ATOM 50 C SER A 6 -13.464 18.435 -12.028 1.00 0.00 C ATOM 51 O SER A 6 -13.455 19.526 -11.460 1.00 0.00 O ATOM 52 CB SER A 6 -13.406 19.657 -14.210 1.00 0.00 C ATOM 53 OG SER A 6 -12.033 19.713 -14.558 1.00 0.00 O ATOM 0 H SER A 6 -15.787 18.770 -13.728 1.00 0.00 H new ATOM 0 HA SER A 6 -13.122 17.544 -13.942 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.016 19.774 -15.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.650 20.487 -13.547 1.00 0.00 H new ATOM 0 HG SER A 6 -11.841 20.568 -14.996 1.00 0.00 H new ATOM 59 N GLY A 7 -13.233 17.288 -11.396 1.00 0.00 N ATOM 60 CA GLY A 7 -12.954 17.269 -9.972 1.00 0.00 C ATOM 61 C GLY A 7 -11.939 16.208 -9.595 1.00 0.00 C ATOM 62 O GLY A 7 -12.273 15.028 -9.489 1.00 0.00 O ATOM 0 H GLY A 7 -13.234 16.372 -11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.584 18.247 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.880 17.092 -9.426 1.00 0.00 H new ATOM 66 N LEU A 8 -10.695 16.628 -9.393 1.00 0.00 N ATOM 67 CA LEU A 8 -9.626 15.705 -9.026 1.00 0.00 C ATOM 68 C LEU A 8 -9.663 15.393 -7.534 1.00 0.00 C ATOM 69 O LEU A 8 -9.922 14.259 -7.133 1.00 0.00 O ATOM 70 CB LEU A 8 -8.265 16.294 -9.402 1.00 0.00 C ATOM 71 CG LEU A 8 -7.172 15.285 -9.756 1.00 0.00 C ATOM 72 CD1 LEU A 8 -6.964 14.301 -8.615 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.520 14.549 -11.041 1.00 0.00 C ATOM 0 H LEU A 8 -10.401 17.601 -9.477 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.778 14.776 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.403 16.963 -10.251 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.913 16.904 -8.570 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.241 15.829 -9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.183 13.591 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.667 14.843 -7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.893 13.763 -8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.731 13.835 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.463 14.018 -10.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.616 15.266 -11.856 1.00 0.00 H new ATOM 85 N ALA A 9 -9.406 16.409 -6.716 1.00 0.00 N ATOM 86 CA ALA A 9 -9.414 16.244 -5.268 1.00 0.00 C ATOM 87 C ALA A 9 -10.649 15.476 -4.810 1.00 0.00 C ATOM 88 O ALA A 9 -10.540 14.477 -4.098 1.00 0.00 O ATOM 89 CB ALA A 9 -9.350 17.601 -4.582 1.00 0.00 C ATOM 0 H ALA A 9 -9.190 17.354 -7.032 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.534 15.665 -4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.357 17.463 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.435 18.115 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.213 18.199 -4.877 1.00 0.00 H new ATOM 95 N GLU A 10 -11.821 15.948 -5.221 1.00 0.00 N ATOM 96 CA GLU A 10 -13.076 15.305 -4.851 1.00 0.00 C ATOM 97 C GLU A 10 -12.915 13.788 -4.796 1.00 0.00 C ATOM 98 O GLU A 10 -13.149 13.164 -3.761 1.00 0.00 O ATOM 99 CB GLU A 10 -14.178 15.676 -5.845 1.00 0.00 C ATOM 100 CG GLU A 10 -14.721 17.083 -5.655 1.00 0.00 C ATOM 101 CD GLU A 10 -13.622 18.123 -5.560 1.00 0.00 C ATOM 102 OE1 GLU A 10 -13.047 18.281 -4.463 1.00 0.00 O ATOM 103 OE2 GLU A 10 -13.337 18.780 -6.583 1.00 0.00 O ATOM 0 H GLU A 10 -11.928 16.774 -5.810 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.357 15.660 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.789 15.580 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.997 14.963 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.379 17.330 -6.488 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.327 17.116 -4.749 1.00 0.00 H new ATOM 110 N LEU A 11 -12.513 13.202 -5.919 1.00 0.00 N ATOM 111 CA LEU A 11 -12.321 11.758 -6.001 1.00 0.00 C ATOM 112 C LEU A 11 -11.324 11.281 -4.949 1.00 0.00 C ATOM 113 O LEU A 11 -11.624 10.390 -4.154 1.00 0.00 O ATOM 114 CB LEU A 11 -11.832 11.367 -7.397 1.00 0.00 C ATOM 115 CG LEU A 11 -12.918 11.025 -8.417 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.198 11.787 -8.109 1.00 0.00 C ATOM 117 CD2 LEU A 11 -12.440 11.330 -9.829 1.00 0.00 C ATOM 0 H LEU A 11 -12.314 13.704 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.281 11.277 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.234 12.188 -7.794 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.169 10.507 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.129 9.958 -8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.960 11.531 -8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.551 11.518 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.002 12.859 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.226 11.080 -10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.200 12.390 -9.911 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.551 10.739 -10.048 1.00 0.00 H new ATOM 129 N PHE A 12 -10.139 11.882 -4.949 1.00 0.00 N ATOM 130 CA PHE A 12 -9.099 11.519 -3.993 1.00 0.00 C ATOM 131 C PHE A 12 -9.706 11.129 -2.649 1.00 0.00 C ATOM 132 O PHE A 12 -9.210 10.231 -1.970 1.00 0.00 O ATOM 133 CB PHE A 12 -8.122 12.682 -3.806 1.00 0.00 C ATOM 134 CG PHE A 12 -6.996 12.372 -2.860 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.882 11.672 -3.294 1.00 0.00 C ATOM 136 CD2 PHE A 12 -7.053 12.781 -1.538 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.844 11.386 -2.427 1.00 0.00 C ATOM 138 CE2 PHE A 12 -6.018 12.498 -0.666 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.913 11.799 -1.111 1.00 0.00 C ATOM 0 H PHE A 12 -9.875 12.622 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.559 10.659 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.706 12.957 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.669 13.550 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.824 11.346 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.915 13.327 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.981 10.841 -2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.074 12.823 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.104 11.576 -0.431 1.00 0.00 H new ATOM 149 N GLU A 13 -10.783 11.811 -2.273 1.00 0.00 N ATOM 150 CA GLU A 13 -11.458 11.537 -1.010 1.00 0.00 C ATOM 151 C GLU A 13 -12.302 10.270 -1.108 1.00 0.00 C ATOM 152 O GLU A 13 -12.266 9.415 -0.222 1.00 0.00 O ATOM 153 CB GLU A 13 -12.340 12.721 -0.609 1.00 0.00 C ATOM 154 CG GLU A 13 -11.558 13.990 -0.314 1.00 0.00 C ATOM 155 CD GLU A 13 -11.117 14.080 1.133 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.987 14.277 2.007 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.902 13.955 1.393 1.00 0.00 O ATOM 0 H GLU A 13 -11.207 12.557 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.695 11.387 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.052 12.921 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.920 12.449 0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.681 14.030 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.173 14.856 -0.557 1.00 0.00 H new ATOM 164 N LYS A 14 -13.063 10.156 -2.191 1.00 0.00 N ATOM 165 CA LYS A 14 -13.917 8.994 -2.408 1.00 0.00 C ATOM 166 C LYS A 14 -13.085 7.762 -2.749 1.00 0.00 C ATOM 167 O LYS A 14 -13.172 6.736 -2.076 1.00 0.00 O ATOM 168 CB LYS A 14 -14.918 9.273 -3.531 1.00 0.00 C ATOM 169 CG LYS A 14 -16.060 10.185 -3.115 1.00 0.00 C ATOM 170 CD LYS A 14 -15.724 11.646 -3.358 1.00 0.00 C ATOM 171 CE LYS A 14 -15.749 11.986 -4.840 1.00 0.00 C ATOM 172 NZ LYS A 14 -17.127 12.286 -5.317 1.00 0.00 N ATOM 0 H LYS A 14 -13.106 10.855 -2.933 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.462 8.798 -1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.391 9.724 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.329 8.327 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.959 9.920 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.282 10.033 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.437 12.277 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.737 11.866 -2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.105 12.846 -5.026 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.341 11.152 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.112 12.446 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.752 11.483 -5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.482 13.139 -4.839 1.00 0.00 H new ATOM 186 N ALA A 15 -12.277 7.872 -3.799 1.00 0.00 N ATOM 187 CA ALA A 15 -11.426 6.769 -4.227 1.00 0.00 C ATOM 188 C ALA A 15 -10.778 6.079 -3.031 1.00 0.00 C ATOM 189 O ALA A 15 -10.689 4.853 -2.984 1.00 0.00 O ATOM 190 CB ALA A 15 -10.361 7.268 -5.192 1.00 0.00 C ATOM 0 H ALA A 15 -12.194 8.714 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.051 6.038 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.733 6.434 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.840 7.708 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.746 8.021 -4.698 1.00 0.00 H new ATOM 196 N ALA A 16 -10.328 6.876 -2.067 1.00 0.00 N ATOM 197 CA ALA A 16 -9.689 6.341 -0.871 1.00 0.00 C ATOM 198 C ALA A 16 -10.561 5.277 -0.212 1.00 0.00 C ATOM 199 O ALA A 16 -10.073 4.218 0.182 1.00 0.00 O ATOM 200 CB ALA A 16 -9.388 7.462 0.112 1.00 0.00 C ATOM 0 H ALA A 16 -10.394 7.894 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.751 5.872 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.911 7.048 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.720 8.186 -0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.317 7.956 0.396 1.00 0.00 H new ATOM 206 N ALA A 17 -11.853 5.566 -0.096 1.00 0.00 N ATOM 207 CA ALA A 17 -12.793 4.634 0.514 1.00 0.00 C ATOM 208 C ALA A 17 -12.922 3.362 -0.318 1.00 0.00 C ATOM 209 O ALA A 17 -13.148 2.277 0.220 1.00 0.00 O ATOM 210 CB ALA A 17 -14.153 5.293 0.688 1.00 0.00 C ATOM 0 H ALA A 17 -12.273 6.439 -0.417 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.408 4.358 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.845 4.585 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.054 6.168 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.537 5.598 -0.286 1.00 0.00 H new ATOM 216 N HIS A 18 -12.777 3.502 -1.632 1.00 0.00 N ATOM 217 CA HIS A 18 -12.878 2.364 -2.538 1.00 0.00 C ATOM 218 C HIS A 18 -11.666 1.448 -2.396 1.00 0.00 C ATOM 219 O HIS A 18 -11.776 0.229 -2.540 1.00 0.00 O ATOM 220 CB HIS A 18 -13.001 2.845 -3.984 1.00 0.00 C ATOM 221 CG HIS A 18 -13.786 1.918 -4.859 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.858 1.180 -4.403 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.651 1.611 -6.171 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.347 0.458 -5.396 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.633 0.702 -6.480 1.00 0.00 N ATOM 0 H HIS A 18 -12.589 4.392 -2.093 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.772 1.799 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.474 3.827 -3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.002 2.969 -4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.909 2.007 -6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.188 -0.217 -5.332 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.786 0.283 -7.397 1.00 0.00 H new ATOM 234 N LEU A 19 -10.512 2.041 -2.113 1.00 0.00 N ATOM 235 CA LEU A 19 -9.279 1.278 -1.952 1.00 0.00 C ATOM 236 C LEU A 19 -9.517 0.029 -1.109 1.00 0.00 C ATOM 237 O LEU A 19 -9.188 -1.082 -1.523 1.00 0.00 O ATOM 238 CB LEU A 19 -8.200 2.147 -1.303 1.00 0.00 C ATOM 239 CG LEU A 19 -6.756 1.823 -1.688 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.790 2.755 -0.973 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.432 0.371 -1.370 1.00 0.00 C ATOM 0 H LEU A 19 -10.404 3.048 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.941 0.967 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.398 3.188 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.294 2.061 -0.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.645 1.973 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.768 2.509 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.007 3.786 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.903 2.638 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.400 0.159 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.561 0.195 -0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.102 -0.282 -1.929 1.00 0.00 H new ATOM 253 N GLN A 20 -10.092 0.221 0.074 1.00 0.00 N ATOM 254 CA GLN A 20 -10.376 -0.891 0.974 1.00 0.00 C ATOM 255 C GLN A 20 -11.220 -1.953 0.277 1.00 0.00 C ATOM 256 O GLN A 20 -11.162 -3.132 0.623 1.00 0.00 O ATOM 257 CB GLN A 20 -11.097 -0.390 2.226 1.00 0.00 C ATOM 258 CG GLN A 20 -10.352 0.718 2.955 1.00 0.00 C ATOM 259 CD GLN A 20 -9.389 0.185 3.997 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.792 -0.184 5.100 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.107 0.143 3.652 1.00 0.00 N ATOM 0 H GLN A 20 -10.370 1.135 0.431 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.427 -1.341 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.086 -0.028 1.945 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.246 -1.227 2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.802 1.318 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.072 1.380 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.817 0.459 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.412 -0.205 4.313 1.00 0.00 H new ATOM 270 N GLY A 21 -12.007 -1.526 -0.707 1.00 0.00 N ATOM 271 CA GLY A 21 -12.852 -2.453 -1.435 1.00 0.00 C ATOM 272 C GLY A 21 -12.141 -3.081 -2.617 1.00 0.00 C ATOM 273 O GLY A 21 -12.636 -4.039 -3.212 1.00 0.00 O ATOM 0 H GLY A 21 -12.074 -0.555 -1.012 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.190 -3.239 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.741 -1.930 -1.786 1.00 0.00 H new ATOM 277 N LEU A 22 -10.976 -2.541 -2.960 1.00 0.00 N ATOM 278 CA LEU A 22 -10.195 -3.054 -4.080 1.00 0.00 C ATOM 279 C LEU A 22 -8.913 -3.720 -3.590 1.00 0.00 C ATOM 280 O LEU A 22 -7.989 -3.958 -4.368 1.00 0.00 O ATOM 281 CB LEU A 22 -9.856 -1.922 -5.051 1.00 0.00 C ATOM 282 CG LEU A 22 -11.020 -1.023 -5.468 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.523 0.136 -6.317 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.071 -1.826 -6.221 1.00 0.00 C ATOM 0 H LEU A 22 -10.552 -1.748 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.796 -3.802 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.087 -1.298 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.421 -2.359 -5.950 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.479 -0.615 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.366 0.765 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.809 0.727 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.038 -0.251 -7.213 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.892 -1.170 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.624 -2.263 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.451 -2.621 -5.579 1.00 0.00 H new ATOM 296 N ILE A 23 -8.866 -4.020 -2.296 1.00 0.00 N ATOM 297 CA ILE A 23 -7.699 -4.663 -1.704 1.00 0.00 C ATOM 298 C ILE A 23 -7.486 -6.057 -2.284 1.00 0.00 C ATOM 299 O ILE A 23 -6.351 -6.512 -2.429 1.00 0.00 O ATOM 300 CB ILE A 23 -7.832 -4.770 -0.174 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.166 -3.404 0.428 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.551 -5.323 0.432 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.025 -2.415 0.353 1.00 0.00 C ATOM 0 H ILE A 23 -9.622 -3.828 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.839 -4.038 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.646 -5.457 0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.030 -2.989 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.453 -3.536 1.471 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.661 -5.393 1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.353 -6.314 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.720 -4.659 0.194 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.333 -1.469 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.166 -2.809 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.752 -2.253 -0.690 1.00 0.00 H new ATOM 315 N GLN A 24 -8.584 -6.729 -2.615 1.00 0.00 N ATOM 316 CA GLN A 24 -8.516 -8.071 -3.180 1.00 0.00 C ATOM 317 C GLN A 24 -8.045 -8.028 -4.630 1.00 0.00 C ATOM 318 O GLN A 24 -7.556 -9.024 -5.165 1.00 0.00 O ATOM 319 CB GLN A 24 -9.883 -8.753 -3.096 1.00 0.00 C ATOM 320 CG GLN A 24 -10.515 -8.679 -1.715 1.00 0.00 C ATOM 321 CD GLN A 24 -11.990 -9.028 -1.729 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.402 -10.058 -1.195 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.796 -8.168 -2.342 1.00 0.00 N ATOM 0 H GLN A 24 -9.531 -6.366 -2.502 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.795 -8.646 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.555 -8.292 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.776 -9.799 -3.382 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.991 -9.359 -1.043 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.387 -7.673 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.412 -7.326 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.799 -8.349 -2.383 1.00 0.00 H new ATOM 332 N VAL A 25 -8.195 -6.868 -5.262 1.00 0.00 N ATOM 333 CA VAL A 25 -7.785 -6.695 -6.650 1.00 0.00 C ATOM 334 C VAL A 25 -6.485 -5.903 -6.744 1.00 0.00 C ATOM 335 O VAL A 25 -5.832 -5.884 -7.786 1.00 0.00 O ATOM 336 CB VAL A 25 -8.871 -5.976 -7.471 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.138 -6.816 -7.531 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.160 -4.602 -6.886 1.00 0.00 C ATOM 0 H VAL A 25 -8.598 -6.034 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.631 -7.693 -7.061 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.503 -5.842 -8.488 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.895 -6.292 -8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.917 -7.775 -8.000 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.512 -6.984 -6.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.930 -4.109 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.507 -4.710 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.250 -4.002 -6.901 1.00 0.00 H new ATOM 348 N ALA A 26 -6.116 -5.250 -5.647 1.00 0.00 N ATOM 349 CA ALA A 26 -4.893 -4.458 -5.604 1.00 0.00 C ATOM 350 C ALA A 26 -3.717 -5.291 -5.103 1.00 0.00 C ATOM 351 O ALA A 26 -3.801 -5.934 -4.057 1.00 0.00 O ATOM 352 CB ALA A 26 -5.088 -3.233 -4.723 1.00 0.00 C ATOM 0 H ALA A 26 -6.647 -5.254 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.666 -4.130 -6.618 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.167 -2.651 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.895 -2.620 -5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.343 -3.549 -3.711 1.00 0.00 H new ATOM 358 N SER A 27 -2.622 -5.274 -5.857 1.00 0.00 N ATOM 359 CA SER A 27 -1.431 -6.031 -5.491 1.00 0.00 C ATOM 360 C SER A 27 -0.659 -5.325 -4.381 1.00 0.00 C ATOM 361 O SER A 27 -0.632 -4.096 -4.312 1.00 0.00 O ATOM 362 CB SER A 27 -0.529 -6.224 -6.712 1.00 0.00 C ATOM 363 OG SER A 27 -1.194 -6.958 -7.726 1.00 0.00 O ATOM 0 H SER A 27 -2.535 -4.744 -6.724 1.00 0.00 H new ATOM 0 HA SER A 27 -1.749 -7.007 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.226 -5.252 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.381 -6.747 -6.417 1.00 0.00 H new ATOM 0 HG SER A 27 -0.598 -7.066 -8.496 1.00 0.00 H new ATOM 369 N ARG A 28 -0.031 -6.112 -3.513 1.00 0.00 N ATOM 370 CA ARG A 28 0.741 -5.564 -2.405 1.00 0.00 C ATOM 371 C ARG A 28 1.437 -4.269 -2.814 1.00 0.00 C ATOM 372 O ARG A 28 1.472 -3.304 -2.051 1.00 0.00 O ATOM 373 CB ARG A 28 1.778 -6.582 -1.925 1.00 0.00 C ATOM 374 CG ARG A 28 2.832 -6.915 -2.967 1.00 0.00 C ATOM 375 CD ARG A 28 3.669 -8.114 -2.549 1.00 0.00 C ATOM 376 NE ARG A 28 3.039 -9.378 -2.923 1.00 0.00 N ATOM 377 CZ ARG A 28 2.203 -10.044 -2.134 1.00 0.00 C ATOM 378 NH1 ARG A 28 1.897 -9.568 -0.935 1.00 0.00 N ATOM 379 NH2 ARG A 28 1.670 -11.188 -2.545 1.00 0.00 N ATOM 0 H ARG A 28 -0.042 -7.131 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 28 0.052 -5.344 -1.590 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.271 -6.193 -1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.266 -7.499 -1.632 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.349 -7.122 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.481 -6.052 -3.119 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.653 -8.048 -3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.823 -8.091 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 28 3.253 -9.771 -3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.304 -8.689 -0.616 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.255 -10.081 -0.331 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.902 -11.557 -3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.028 -11.699 -1.938 1.00 0.00 H new ATOM 393 N GLU A 29 1.989 -4.257 -4.024 1.00 0.00 N ATOM 394 CA GLU A 29 2.685 -3.080 -4.533 1.00 0.00 C ATOM 395 C GLU A 29 1.717 -1.915 -4.720 1.00 0.00 C ATOM 396 O GLU A 29 1.968 -0.806 -4.248 1.00 0.00 O ATOM 397 CB GLU A 29 3.374 -3.403 -5.860 1.00 0.00 C ATOM 398 CG GLU A 29 4.578 -4.318 -5.714 1.00 0.00 C ATOM 399 CD GLU A 29 5.374 -4.446 -6.998 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.837 -3.409 -7.516 1.00 0.00 O ATOM 401 OE2 GLU A 29 5.532 -5.585 -7.486 1.00 0.00 O ATOM 0 H GLU A 29 1.968 -5.047 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 29 3.439 -2.790 -3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.652 -3.870 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.690 -2.472 -6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.227 -3.936 -4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.242 -5.306 -5.399 1.00 0.00 H new ATOM 408 N GLN A 30 0.613 -2.176 -5.412 1.00 0.00 N ATOM 409 CA GLN A 30 -0.391 -1.148 -5.663 1.00 0.00 C ATOM 410 C GLN A 30 -0.813 -0.471 -4.363 1.00 0.00 C ATOM 411 O GLN A 30 -0.945 0.753 -4.303 1.00 0.00 O ATOM 412 CB GLN A 30 -1.612 -1.757 -6.354 1.00 0.00 C ATOM 413 CG GLN A 30 -1.291 -2.419 -7.685 1.00 0.00 C ATOM 414 CD GLN A 30 -2.480 -2.445 -8.625 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.265 -3.394 -8.626 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.618 -1.401 -9.433 1.00 0.00 N ATOM 0 H GLN A 30 0.391 -3.089 -5.809 1.00 0.00 H new ATOM 0 HA GLN A 30 0.050 -0.396 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.064 -2.494 -5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.355 -0.976 -6.516 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.467 -1.887 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.951 -3.439 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.944 -0.637 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.398 -1.363 -10.089 1.00 0.00 H new ATOM 425 N LEU A 31 -1.023 -1.272 -3.325 1.00 0.00 N ATOM 426 CA LEU A 31 -1.431 -0.750 -2.026 1.00 0.00 C ATOM 427 C LEU A 31 -0.505 0.376 -1.577 1.00 0.00 C ATOM 428 O LEU A 31 -0.958 1.395 -1.053 1.00 0.00 O ATOM 429 CB LEU A 31 -1.434 -1.869 -0.983 1.00 0.00 C ATOM 430 CG LEU A 31 -2.748 -2.635 -0.824 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.849 -1.709 -0.330 1.00 0.00 C ATOM 432 CD2 LEU A 31 -3.148 -3.287 -2.140 1.00 0.00 C ATOM 0 H LEU A 31 -0.917 -2.286 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.440 -0.349 -2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.650 -2.581 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.168 -1.439 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.601 -3.420 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.777 -2.271 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.566 -1.289 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.995 -0.902 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.085 -3.828 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.277 -2.519 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.369 -3.982 -2.453 1.00 0.00 H new ATOM 444 N LEU A 32 0.793 0.187 -1.787 1.00 0.00 N ATOM 445 CA LEU A 32 1.783 1.188 -1.406 1.00 0.00 C ATOM 446 C LEU A 32 1.766 2.367 -2.374 1.00 0.00 C ATOM 447 O LEU A 32 1.774 3.526 -1.957 1.00 0.00 O ATOM 448 CB LEU A 32 3.180 0.565 -1.369 1.00 0.00 C ATOM 449 CG LEU A 32 4.172 1.198 -0.393 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.022 0.587 0.991 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.597 1.033 -0.899 1.00 0.00 C ATOM 0 H LEU A 32 1.184 -0.650 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 32 1.528 1.554 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.078 -0.491 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.605 0.615 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 32 3.954 2.264 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.736 1.050 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.009 0.757 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.213 -0.485 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.289 1.490 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.827 -0.028 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.697 1.519 -1.870 1.00 0.00 H new ATOM 463 N TYR A 33 1.740 2.064 -3.667 1.00 0.00 N ATOM 464 CA TYR A 33 1.721 3.098 -4.694 1.00 0.00 C ATOM 465 C TYR A 33 0.747 4.214 -4.327 1.00 0.00 C ATOM 466 O TYR A 33 1.028 5.394 -4.539 1.00 0.00 O ATOM 467 CB TYR A 33 1.338 2.496 -6.047 1.00 0.00 C ATOM 468 CG TYR A 33 1.433 3.476 -7.195 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.667 3.908 -7.665 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.289 3.970 -7.809 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.759 4.803 -8.712 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.371 4.864 -8.859 1.00 0.00 C ATOM 473 CZ TYR A 33 1.609 5.278 -9.307 1.00 0.00 C ATOM 474 OH TYR A 33 1.695 6.170 -10.351 1.00 0.00 O ATOM 0 H TYR A 33 1.732 1.110 -4.029 1.00 0.00 H new ATOM 0 HA TYR A 33 2.722 3.523 -4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.986 1.644 -6.253 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.319 2.114 -5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.570 3.537 -7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.681 3.650 -7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.727 5.130 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.528 5.237 -9.327 1.00 0.00 H new ATOM 0 HH TYR A 33 1.139 5.858 -11.095 1.00 0.00 H new ATOM 484 N LEU A 34 -0.399 3.831 -3.775 1.00 0.00 N ATOM 485 CA LEU A 34 -1.416 4.797 -3.376 1.00 0.00 C ATOM 486 C LEU A 34 -1.033 5.483 -2.068 1.00 0.00 C ATOM 487 O LEU A 34 -1.418 6.626 -1.819 1.00 0.00 O ATOM 488 CB LEU A 34 -2.773 4.106 -3.224 1.00 0.00 C ATOM 489 CG LEU A 34 -3.174 3.161 -4.357 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.583 2.632 -4.136 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.071 3.865 -5.702 1.00 0.00 C ATOM 0 H LEU A 34 -0.647 2.858 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.486 5.555 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.769 3.542 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.541 4.874 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.486 2.315 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.852 1.961 -4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.624 2.089 -3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.284 3.466 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.360 3.177 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.734 4.730 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.044 4.194 -5.863 1.00 0.00 H new ATOM 503 N TYR A 35 -0.272 4.779 -1.238 1.00 0.00 N ATOM 504 CA TYR A 35 0.163 5.320 0.044 1.00 0.00 C ATOM 505 C TYR A 35 1.145 6.469 -0.155 1.00 0.00 C ATOM 506 O TYR A 35 0.991 7.541 0.431 1.00 0.00 O ATOM 507 CB TYR A 35 0.809 4.222 0.891 1.00 0.00 C ATOM 508 CG TYR A 35 1.624 4.752 2.050 1.00 0.00 C ATOM 509 CD1 TYR A 35 2.856 5.359 1.838 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.163 4.645 3.356 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.604 5.844 2.893 1.00 0.00 C ATOM 512 CE2 TYR A 35 1.903 5.129 4.417 1.00 0.00 C ATOM 513 CZ TYR A 35 3.123 5.727 4.180 1.00 0.00 C ATOM 514 OH TYR A 35 3.865 6.209 5.235 1.00 0.00 O ATOM 0 H TYR A 35 0.056 3.833 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.714 5.703 0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.029 3.566 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.451 3.614 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.235 5.453 0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.209 4.175 3.545 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.560 6.312 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.529 5.040 5.426 1.00 0.00 H new ATOM 0 HH TYR A 35 3.384 6.049 6.074 1.00 0.00 H new ATOM 524 N ALA A 36 2.156 6.238 -0.987 1.00 0.00 N ATOM 525 CA ALA A 36 3.163 7.255 -1.266 1.00 0.00 C ATOM 526 C ALA A 36 2.517 8.549 -1.750 1.00 0.00 C ATOM 527 O ALA A 36 2.564 9.570 -1.065 1.00 0.00 O ATOM 528 CB ALA A 36 4.158 6.742 -2.296 1.00 0.00 C ATOM 0 H ALA A 36 2.299 5.356 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 36 3.694 7.470 -0.339 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.904 7.511 -2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.651 5.849 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.633 6.498 -3.219 1.00 0.00 H new ATOM 534 N ARG A 37 1.916 8.498 -2.934 1.00 0.00 N ATOM 535 CA ARG A 37 1.263 9.667 -3.510 1.00 0.00 C ATOM 536 C ARG A 37 0.368 10.352 -2.481 1.00 0.00 C ATOM 537 O ARG A 37 0.463 11.561 -2.267 1.00 0.00 O ATOM 538 CB ARG A 37 0.437 9.266 -4.734 1.00 0.00 C ATOM 539 CG ARG A 37 1.226 8.482 -5.770 1.00 0.00 C ATOM 540 CD ARG A 37 0.449 8.338 -7.069 1.00 0.00 C ATOM 541 NE ARG A 37 0.675 9.465 -7.970 1.00 0.00 N ATOM 542 CZ ARG A 37 1.856 9.752 -8.506 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.912 8.998 -8.233 1.00 0.00 N ATOM 544 NH2 ARG A 37 1.983 10.795 -9.316 1.00 0.00 N ATOM 0 H ARG A 37 1.868 7.660 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 37 2.038 10.369 -3.818 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.413 8.667 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.034 10.165 -5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.173 8.985 -5.965 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.465 7.494 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.741 7.413 -7.566 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.615 8.259 -6.848 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.117 10.065 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.818 8.196 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.818 9.220 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.173 11.378 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.891 11.014 -9.727 1.00 0.00 H new ATOM 558 N TYR A 38 -0.501 9.571 -1.848 1.00 0.00 N ATOM 559 CA TYR A 38 -1.415 10.103 -0.844 1.00 0.00 C ATOM 560 C TYR A 38 -0.657 10.888 0.222 1.00 0.00 C ATOM 561 O TYR A 38 -1.069 11.978 0.618 1.00 0.00 O ATOM 562 CB TYR A 38 -2.205 8.967 -0.192 1.00 0.00 C ATOM 563 CG TYR A 38 -3.237 9.442 0.806 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.857 9.908 2.059 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.591 9.425 0.496 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.797 10.343 2.974 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.537 9.859 1.404 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.135 10.317 2.642 1.00 0.00 C ATOM 569 OH TYR A 38 -6.075 10.749 3.550 1.00 0.00 O ATOM 0 H TYR A 38 -0.592 8.568 -2.012 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.109 10.780 -1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.703 8.389 -0.970 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.510 8.293 0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.810 9.931 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.909 9.066 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.485 10.701 3.944 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.586 9.840 1.146 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.970 10.666 3.159 1.00 0.00 H new ATOM 579 N LYS A 39 0.456 10.325 0.682 1.00 0.00 N ATOM 580 CA LYS A 39 1.275 10.971 1.701 1.00 0.00 C ATOM 581 C LYS A 39 2.013 12.174 1.124 1.00 0.00 C ATOM 582 O LYS A 39 2.563 12.989 1.864 1.00 0.00 O ATOM 583 CB LYS A 39 2.279 9.974 2.284 1.00 0.00 C ATOM 584 CG LYS A 39 1.702 9.103 3.387 1.00 0.00 C ATOM 585 CD LYS A 39 1.471 9.897 4.661 1.00 0.00 C ATOM 586 CE LYS A 39 2.770 10.471 5.204 1.00 0.00 C ATOM 587 NZ LYS A 39 2.680 10.769 6.660 1.00 0.00 N ATOM 0 H LYS A 39 0.811 9.423 0.365 1.00 0.00 H new ATOM 0 HA LYS A 39 0.615 11.320 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.649 9.334 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.136 10.522 2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.760 8.668 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.381 8.275 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.769 10.707 4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.013 9.255 5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.581 9.764 5.028 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.019 11.383 4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.586 11.158 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.923 11.463 6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.468 9.894 7.181 1.00 0.00 H new ATOM 601 N GLN A 40 2.020 12.278 -0.201 1.00 0.00 N ATOM 602 CA GLN A 40 2.691 13.383 -0.877 1.00 0.00 C ATOM 603 C GLN A 40 1.746 14.567 -1.054 1.00 0.00 C ATOM 604 O GLN A 40 2.138 15.720 -0.876 1.00 0.00 O ATOM 605 CB GLN A 40 3.221 12.930 -2.238 1.00 0.00 C ATOM 606 CG GLN A 40 3.889 14.041 -3.031 1.00 0.00 C ATOM 607 CD GLN A 40 5.290 14.348 -2.539 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.942 13.505 -1.922 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.761 15.559 -2.811 1.00 0.00 N ATOM 0 H GLN A 40 1.569 11.611 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 40 3.529 13.700 -0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.936 12.121 -2.089 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.396 12.523 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.931 13.757 -4.082 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.280 14.943 -2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.186 16.226 -3.325 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.698 15.822 -2.506 1.00 0.00 H new ATOM 618 N VAL A 41 0.498 14.274 -1.406 1.00 0.00 N ATOM 619 CA VAL A 41 -0.504 15.314 -1.607 1.00 0.00 C ATOM 620 C VAL A 41 -0.904 15.955 -0.283 1.00 0.00 C ATOM 621 O VAL A 41 -1.341 17.105 -0.244 1.00 0.00 O ATOM 622 CB VAL A 41 -1.763 14.755 -2.296 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.382 13.747 -3.370 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.696 14.128 -1.271 1.00 0.00 C ATOM 0 H VAL A 41 0.157 13.325 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.052 16.069 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.289 15.579 -2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.285 13.363 -3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.756 14.232 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.832 12.922 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.581 13.738 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.181 13.314 -0.760 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.996 14.882 -0.543 1.00 0.00 H new ATOM 634 N LYS A 42 -0.752 15.202 0.802 1.00 0.00 N ATOM 635 CA LYS A 42 -1.095 15.696 2.130 1.00 0.00 C ATOM 636 C LYS A 42 0.101 16.383 2.781 1.00 0.00 C ATOM 637 O LYS A 42 -0.015 17.492 3.302 1.00 0.00 O ATOM 638 CB LYS A 42 -1.580 14.545 3.015 1.00 0.00 C ATOM 639 CG LYS A 42 -2.907 13.955 2.572 1.00 0.00 C ATOM 640 CD LYS A 42 -4.059 14.909 2.840 1.00 0.00 C ATOM 641 CE LYS A 42 -5.364 14.385 2.259 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.545 14.858 3.034 1.00 0.00 N ATOM 0 H LYS A 42 -0.393 14.247 0.787 1.00 0.00 H new ATOM 0 HA LYS A 42 -1.897 16.427 2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.826 13.758 3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.675 14.901 4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.866 13.723 1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.082 13.016 3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.170 15.054 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.833 15.884 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.456 14.709 1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.347 13.295 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.415 14.480 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.470 14.528 4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.576 15.897 3.020 1.00 0.00 H new ATOM 656 N VAL A 43 1.251 15.717 2.747 1.00 0.00 N ATOM 657 CA VAL A 43 2.469 16.265 3.332 1.00 0.00 C ATOM 658 C VAL A 43 3.308 16.984 2.281 1.00 0.00 C ATOM 659 O VAL A 43 3.494 18.198 2.345 1.00 0.00 O ATOM 660 CB VAL A 43 3.322 15.162 3.987 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.567 15.759 4.625 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.503 14.394 5.013 1.00 0.00 C ATOM 0 H VAL A 43 1.365 14.797 2.321 1.00 0.00 H new ATOM 0 HA VAL A 43 2.160 16.978 4.097 1.00 0.00 H new ATOM 0 HB VAL A 43 3.639 14.463 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.157 14.965 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.162 16.260 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.275 16.480 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.121 13.619 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.155 15.078 5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.645 13.934 4.523 1.00 0.00 H new ATOM 672 N GLY A 44 3.811 16.225 1.313 1.00 0.00 N ATOM 673 CA GLY A 44 4.624 16.807 0.261 1.00 0.00 C ATOM 674 C GLY A 44 6.036 16.256 0.247 1.00 0.00 C ATOM 675 O GLY A 44 6.236 15.042 0.230 1.00 0.00 O ATOM 0 H GLY A 44 3.670 15.218 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.154 16.618 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.661 17.889 0.391 1.00 0.00 H new ATOM 679 N ASN A 45 7.019 17.151 0.253 1.00 0.00 N ATOM 680 CA ASN A 45 8.420 16.747 0.239 1.00 0.00 C ATOM 681 C ASN A 45 8.748 15.876 1.448 1.00 0.00 C ATOM 682 O ASN A 45 8.699 16.337 2.589 1.00 0.00 O ATOM 683 CB ASN A 45 9.328 17.979 0.223 1.00 0.00 C ATOM 684 CG ASN A 45 9.011 18.915 -0.928 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.920 19.480 -1.000 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.967 19.083 -1.834 1.00 0.00 N ATOM 0 H ASN A 45 6.871 18.160 0.267 1.00 0.00 H new ATOM 0 HA ASN A 45 8.594 16.163 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.223 18.517 1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.368 17.660 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.812 19.701 -2.630 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.856 18.594 -1.734 1.00 0.00 H new ATOM 693 N CYS A 46 9.082 14.617 1.190 1.00 0.00 N ATOM 694 CA CYS A 46 9.418 13.681 2.257 1.00 0.00 C ATOM 695 C CYS A 46 10.571 14.211 3.102 1.00 0.00 C ATOM 696 O CYS A 46 11.738 14.061 2.742 1.00 0.00 O ATOM 697 CB CYS A 46 9.784 12.316 1.670 1.00 0.00 C ATOM 698 SG CYS A 46 10.241 11.080 2.908 1.00 0.00 S ATOM 0 H CYS A 46 9.127 14.220 0.251 1.00 0.00 H new ATOM 0 HA CYS A 46 8.544 13.570 2.898 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.938 11.942 1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.614 12.442 0.974 1.00 0.00 H new ATOM 0 HG CYS A 46 9.764 11.429 4.066 1.00 0.00 H new ATOM 704 N ASN A 47 10.236 14.833 4.228 1.00 0.00 N ATOM 705 CA ASN A 47 11.244 15.388 5.124 1.00 0.00 C ATOM 706 C ASN A 47 11.695 14.348 6.146 1.00 0.00 C ATOM 707 O ASN A 47 12.875 14.269 6.489 1.00 0.00 O ATOM 708 CB ASN A 47 10.694 16.621 5.843 1.00 0.00 C ATOM 709 CG ASN A 47 9.899 17.523 4.918 1.00 0.00 C ATOM 710 OD1 ASN A 47 10.450 18.127 3.998 1.00 0.00 O ATOM 711 ND2 ASN A 47 8.597 17.617 5.160 1.00 0.00 N ATOM 0 H ASN A 47 9.274 14.965 4.541 1.00 0.00 H new ATOM 0 HA ASN A 47 12.106 15.680 4.524 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.059 16.303 6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.521 17.185 6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 47 8.010 18.209 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 47 8.183 17.098 5.934 1.00 0.00 H new ATOM 718 N THR A 48 10.747 13.552 6.630 1.00 0.00 N ATOM 719 CA THR A 48 11.045 12.518 7.613 1.00 0.00 C ATOM 720 C THR A 48 12.361 11.819 7.293 1.00 0.00 C ATOM 721 O THR A 48 12.731 11.640 6.132 1.00 0.00 O ATOM 722 CB THR A 48 9.922 11.466 7.680 1.00 0.00 C ATOM 723 OG1 THR A 48 9.587 11.022 6.361 1.00 0.00 O ATOM 724 CG2 THR A 48 8.685 12.038 8.357 1.00 0.00 C ATOM 0 H THR A 48 9.766 13.604 6.357 1.00 0.00 H new ATOM 0 HA THR A 48 11.126 13.015 8.580 1.00 0.00 H new ATOM 0 HB THR A 48 10.281 10.621 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.123 10.233 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.905 11.277 8.393 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.936 12.348 9.371 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.326 12.899 7.792 1.00 0.00 H new ATOM 732 N PRO A 49 13.088 11.413 8.345 1.00 0.00 N ATOM 733 CA PRO A 49 14.374 10.726 8.201 1.00 0.00 C ATOM 734 C PRO A 49 14.219 9.316 7.641 1.00 0.00 C ATOM 735 O PRO A 49 13.166 8.694 7.781 1.00 0.00 O ATOM 736 CB PRO A 49 14.912 10.675 9.634 1.00 0.00 C ATOM 737 CG PRO A 49 13.698 10.737 10.496 1.00 0.00 C ATOM 738 CD PRO A 49 12.708 11.594 9.756 1.00 0.00 C ATOM 0 HA PRO A 49 15.033 11.239 7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.478 9.761 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.583 11.510 9.835 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.295 9.740 10.674 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.933 11.165 11.471 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.683 11.274 9.940 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.775 12.639 10.059 1.00 0.00 H new ATOM 746 N LYS A 50 15.274 8.818 7.005 1.00 0.00 N ATOM 747 CA LYS A 50 15.256 7.480 6.424 1.00 0.00 C ATOM 748 C LYS A 50 15.062 6.421 7.504 1.00 0.00 C ATOM 749 O LYS A 50 15.699 6.449 8.558 1.00 0.00 O ATOM 750 CB LYS A 50 16.557 7.215 5.663 1.00 0.00 C ATOM 751 CG LYS A 50 16.496 5.995 4.761 1.00 0.00 C ATOM 752 CD LYS A 50 17.827 5.743 4.073 1.00 0.00 C ATOM 753 CE LYS A 50 17.704 4.678 2.994 1.00 0.00 C ATOM 754 NZ LYS A 50 18.778 4.801 1.969 1.00 0.00 N ATOM 0 H LYS A 50 16.153 9.321 6.879 1.00 0.00 H new ATOM 0 HA LYS A 50 14.418 7.423 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.800 8.090 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.368 7.086 6.380 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.218 5.120 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.718 6.135 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.190 6.670 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.566 5.431 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 50 17.750 3.690 3.452 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.730 4.760 2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.660 4.058 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.718 5.734 1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.707 4.697 2.425 1.00 0.00 H new ATOM 768 N PRO A 51 14.163 5.462 7.239 1.00 0.00 N ATOM 769 CA PRO A 51 13.866 4.373 8.175 1.00 0.00 C ATOM 770 C PRO A 51 15.023 3.389 8.305 1.00 0.00 C ATOM 771 O PRO A 51 15.995 3.455 7.552 1.00 0.00 O ATOM 772 CB PRO A 51 12.649 3.688 7.548 1.00 0.00 C ATOM 773 CG PRO A 51 12.747 3.999 6.094 1.00 0.00 C ATOM 774 CD PRO A 51 13.367 5.365 6.003 1.00 0.00 C ATOM 0 HA PRO A 51 13.691 4.741 9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.665 2.613 7.725 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.719 4.067 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.357 3.258 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.763 3.985 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.991 5.465 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.610 6.147 5.950 1.00 0.00 H new ATOM 782 N SER A 52 14.912 2.476 9.265 1.00 0.00 N ATOM 783 CA SER A 52 15.951 1.480 9.496 1.00 0.00 C ATOM 784 C SER A 52 15.971 0.445 8.374 1.00 0.00 C ATOM 785 O SER A 52 14.953 0.193 7.729 1.00 0.00 O ATOM 786 CB SER A 52 15.732 0.785 10.841 1.00 0.00 C ATOM 787 OG SER A 52 16.944 0.248 11.342 1.00 0.00 O ATOM 0 H SER A 52 14.113 2.406 9.895 1.00 0.00 H new ATOM 0 HA SER A 52 16.913 1.992 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.322 1.496 11.558 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.998 -0.012 10.726 1.00 0.00 H new ATOM 0 HG SER A 52 16.777 -0.189 12.203 1.00 0.00 H new ATOM 793 N PHE A 53 17.137 -0.151 8.148 1.00 0.00 N ATOM 794 CA PHE A 53 17.291 -1.157 7.104 1.00 0.00 C ATOM 795 C PHE A 53 16.436 -2.385 7.402 1.00 0.00 C ATOM 796 O PHE A 53 15.826 -2.963 6.502 1.00 0.00 O ATOM 797 CB PHE A 53 18.760 -1.565 6.972 1.00 0.00 C ATOM 798 CG PHE A 53 19.064 -2.309 5.704 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.882 -1.705 4.470 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.532 -3.612 5.745 1.00 0.00 C ATOM 801 CE1 PHE A 53 19.160 -2.389 3.301 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.813 -4.301 4.580 1.00 0.00 C ATOM 803 CZ PHE A 53 19.627 -3.687 3.356 1.00 0.00 C ATOM 0 H PHE A 53 17.989 0.045 8.674 1.00 0.00 H new ATOM 0 HA PHE A 53 16.956 -0.722 6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.382 -0.671 7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.034 -2.188 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.519 -0.689 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.679 -4.096 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 53 19.012 -1.908 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 53 20.177 -5.317 4.626 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.847 -4.222 2.444 1.00 0.00 H new ATOM 813 N PHE A 54 16.397 -2.778 8.671 1.00 0.00 N ATOM 814 CA PHE A 54 15.618 -3.938 9.088 1.00 0.00 C ATOM 815 C PHE A 54 14.123 -3.670 8.944 1.00 0.00 C ATOM 816 O PHE A 54 13.368 -4.530 8.490 1.00 0.00 O ATOM 817 CB PHE A 54 15.945 -4.303 10.538 1.00 0.00 C ATOM 818 CG PHE A 54 17.117 -5.232 10.673 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.333 -4.925 10.083 1.00 0.00 C ATOM 820 CD2 PHE A 54 17.003 -6.413 11.388 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.414 -5.778 10.205 1.00 0.00 C ATOM 822 CE2 PHE A 54 18.081 -7.270 11.514 1.00 0.00 C ATOM 823 CZ PHE A 54 19.287 -6.952 10.921 1.00 0.00 C ATOM 0 H PHE A 54 16.896 -2.310 9.428 1.00 0.00 H new ATOM 0 HA PHE A 54 15.883 -4.774 8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.149 -3.390 11.097 1.00 0.00 H new ATOM 0 HB3 PHE A 54 15.070 -4.766 10.994 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.437 -4.008 9.521 1.00 0.00 H new ATOM 0 HD2 PHE A 54 16.062 -6.667 11.852 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.356 -5.527 9.741 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.980 -8.187 12.076 1.00 0.00 H new ATOM 0 HZ PHE A 54 20.130 -7.621 11.017 1.00 0.00 H new ATOM 833 N ASP A 55 13.703 -2.471 9.334 1.00 0.00 N ATOM 834 CA ASP A 55 12.298 -2.089 9.248 1.00 0.00 C ATOM 835 C ASP A 55 11.855 -1.970 7.793 1.00 0.00 C ATOM 836 O ASP A 55 11.793 -0.872 7.240 1.00 0.00 O ATOM 837 CB ASP A 55 12.063 -0.764 9.975 1.00 0.00 C ATOM 838 CG ASP A 55 11.955 -0.939 11.477 1.00 0.00 C ATOM 839 OD1 ASP A 55 11.641 -2.062 11.922 1.00 0.00 O ATOM 840 OD2 ASP A 55 12.183 0.048 12.208 1.00 0.00 O ATOM 0 H ASP A 55 14.315 -1.748 9.712 1.00 0.00 H new ATOM 0 HA ASP A 55 11.705 -2.868 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.881 -0.079 9.750 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.149 -0.304 9.599 1.00 0.00 H new ATOM 845 N PHE A 56 11.549 -3.108 7.179 1.00 0.00 N ATOM 846 CA PHE A 56 11.114 -3.132 5.787 1.00 0.00 C ATOM 847 C PHE A 56 9.765 -2.437 5.627 1.00 0.00 C ATOM 848 O PHE A 56 9.649 -1.444 4.910 1.00 0.00 O ATOM 849 CB PHE A 56 11.020 -4.574 5.285 1.00 0.00 C ATOM 850 CG PHE A 56 11.913 -5.527 6.027 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.479 -6.141 7.191 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.188 -5.808 5.562 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.298 -7.018 7.876 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.011 -6.685 6.243 1.00 0.00 C ATOM 855 CZ PHE A 56 13.566 -7.289 7.402 1.00 0.00 C ATOM 0 H PHE A 56 11.594 -4.025 7.623 1.00 0.00 H new ATOM 0 HA PHE A 56 11.853 -2.595 5.192 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.988 -4.914 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.276 -4.599 4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.489 -5.931 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.542 -5.336 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.947 -7.491 8.781 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.002 -6.898 5.869 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.209 -7.972 7.937 1.00 0.00 H new ATOM 865 N GLU A 57 8.749 -2.968 6.299 1.00 0.00 N ATOM 866 CA GLU A 57 7.408 -2.400 6.230 1.00 0.00 C ATOM 867 C GLU A 57 7.466 -0.880 6.114 1.00 0.00 C ATOM 868 O GLU A 57 6.844 -0.289 5.233 1.00 0.00 O ATOM 869 CB GLU A 57 6.597 -2.797 7.466 1.00 0.00 C ATOM 870 CG GLU A 57 6.711 -4.270 7.821 1.00 0.00 C ATOM 871 CD GLU A 57 5.756 -4.680 8.925 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.898 -4.167 10.054 1.00 0.00 O ATOM 873 OE2 GLU A 57 4.865 -5.514 8.659 1.00 0.00 O ATOM 0 H GLU A 57 8.829 -3.790 6.897 1.00 0.00 H new ATOM 0 HA GLU A 57 6.919 -2.797 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.930 -2.200 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.548 -2.553 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.513 -4.870 6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.733 -4.487 8.131 1.00 0.00 H new ATOM 880 N GLY A 58 8.220 -0.252 7.012 1.00 0.00 N ATOM 881 CA GLY A 58 8.346 1.194 6.994 1.00 0.00 C ATOM 882 C GLY A 58 9.273 1.681 5.898 1.00 0.00 C ATOM 883 O GLY A 58 9.063 2.752 5.327 1.00 0.00 O ATOM 0 H GLY A 58 8.745 -0.719 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.361 1.640 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.719 1.535 7.960 1.00 0.00 H new ATOM 887 N LYS A 59 10.303 0.896 5.603 1.00 0.00 N ATOM 888 CA LYS A 59 11.267 1.252 4.569 1.00 0.00 C ATOM 889 C LYS A 59 10.568 1.495 3.235 1.00 0.00 C ATOM 890 O LYS A 59 10.578 2.610 2.714 1.00 0.00 O ATOM 891 CB LYS A 59 12.313 0.146 4.415 1.00 0.00 C ATOM 892 CG LYS A 59 13.464 0.522 3.498 1.00 0.00 C ATOM 893 CD LYS A 59 14.577 -0.512 3.548 1.00 0.00 C ATOM 894 CE LYS A 59 14.113 -1.856 3.008 1.00 0.00 C ATOM 895 NZ LYS A 59 13.857 -1.806 1.541 1.00 0.00 N ATOM 0 H LYS A 59 10.492 0.007 6.066 1.00 0.00 H new ATOM 0 HA LYS A 59 11.764 2.173 4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.710 -0.107 5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.828 -0.750 4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.100 0.617 2.475 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.858 1.496 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.429 -0.160 2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.919 -0.630 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.869 -2.613 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.203 -2.161 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.725 -2.772 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.999 -1.247 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.668 -1.364 1.062 1.00 0.00 H new ATOM 909 N GLN A 60 9.962 0.446 2.690 1.00 0.00 N ATOM 910 CA GLN A 60 9.258 0.547 1.417 1.00 0.00 C ATOM 911 C GLN A 60 8.342 1.766 1.397 1.00 0.00 C ATOM 912 O GLN A 60 8.268 2.485 0.400 1.00 0.00 O ATOM 913 CB GLN A 60 8.444 -0.722 1.158 1.00 0.00 C ATOM 914 CG GLN A 60 7.528 -1.103 2.310 1.00 0.00 C ATOM 915 CD GLN A 60 6.561 -2.212 1.945 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.344 -2.034 2.000 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.099 -3.367 1.569 1.00 0.00 N ATOM 0 H GLN A 60 9.944 -0.484 3.110 1.00 0.00 H new ATOM 0 HA GLN A 60 10.001 0.661 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.844 -0.582 0.259 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.127 -1.548 0.960 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.132 -1.419 3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.965 -0.225 2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.113 -3.471 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.498 -4.150 1.312 1.00 0.00 H new ATOM 926 N LYS A 61 7.644 1.993 2.504 1.00 0.00 N ATOM 927 CA LYS A 61 6.732 3.125 2.616 1.00 0.00 C ATOM 928 C LYS A 61 7.477 4.444 2.435 1.00 0.00 C ATOM 929 O LYS A 61 7.136 5.247 1.567 1.00 0.00 O ATOM 930 CB LYS A 61 6.027 3.107 3.974 1.00 0.00 C ATOM 931 CG LYS A 61 5.018 1.982 4.121 1.00 0.00 C ATOM 932 CD LYS A 61 4.301 2.047 5.459 1.00 0.00 C ATOM 933 CE LYS A 61 2.891 1.484 5.364 1.00 0.00 C ATOM 934 NZ LYS A 61 2.030 1.953 6.484 1.00 0.00 N ATOM 0 H LYS A 61 7.692 1.407 3.338 1.00 0.00 H new ATOM 0 HA LYS A 61 5.986 3.038 1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.776 3.017 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.520 4.060 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.288 2.039 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.526 1.022 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.868 1.488 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.259 3.081 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.445 1.780 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.934 0.395 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.078 1.547 6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.442 1.649 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.968 2.991 6.463 1.00 0.00 H new ATOM 948 N TRP A 62 8.497 4.659 3.259 1.00 0.00 N ATOM 949 CA TRP A 62 9.291 5.880 3.189 1.00 0.00 C ATOM 950 C TRP A 62 9.858 6.081 1.787 1.00 0.00 C ATOM 951 O TRP A 62 9.784 7.176 1.230 1.00 0.00 O ATOM 952 CB TRP A 62 10.429 5.833 4.210 1.00 0.00 C ATOM 953 CG TRP A 62 11.236 7.094 4.259 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.935 8.234 4.948 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.478 7.344 3.590 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.914 9.177 4.747 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.872 8.655 3.919 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.295 6.586 2.747 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.046 9.223 3.432 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.460 7.151 2.265 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.828 8.459 2.609 1.00 0.00 C ATOM 0 H TRP A 62 8.793 4.004 3.983 1.00 0.00 H new ATOM 0 HA TRP A 62 8.638 6.721 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.013 5.638 5.198 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.087 4.998 3.971 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.057 8.374 5.561 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.925 10.114 5.149 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.021 5.577 2.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.330 10.231 3.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.098 6.575 1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.746 8.872 2.217 1.00 0.00 H new ATOM 972 N GLU A 63 10.421 5.017 1.223 1.00 0.00 N ATOM 973 CA GLU A 63 11.001 5.079 -0.113 1.00 0.00 C ATOM 974 C GLU A 63 9.978 5.587 -1.126 1.00 0.00 C ATOM 975 O GLU A 63 10.107 6.691 -1.654 1.00 0.00 O ATOM 976 CB GLU A 63 11.513 3.701 -0.536 1.00 0.00 C ATOM 977 CG GLU A 63 12.808 3.297 0.147 1.00 0.00 C ATOM 978 CD GLU A 63 13.590 2.268 -0.647 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.200 1.082 -0.626 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.592 2.649 -1.288 1.00 0.00 O ATOM 0 H GLU A 63 10.488 4.103 1.670 1.00 0.00 H new ATOM 0 HA GLU A 63 11.838 5.776 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.749 2.956 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.664 3.694 -1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.427 4.182 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.583 2.894 1.135 1.00 0.00 H new ATOM 987 N ALA A 64 8.963 4.771 -1.393 1.00 0.00 N ATOM 988 CA ALA A 64 7.918 5.137 -2.340 1.00 0.00 C ATOM 989 C ALA A 64 7.555 6.613 -2.215 1.00 0.00 C ATOM 990 O ALA A 64 7.510 7.337 -3.209 1.00 0.00 O ATOM 991 CB ALA A 64 6.686 4.269 -2.129 1.00 0.00 C ATOM 0 H ALA A 64 8.843 3.852 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 64 8.300 4.968 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.914 4.554 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.949 3.222 -2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.312 4.409 -1.115 1.00 0.00 H new ATOM 997 N TRP A 65 7.296 7.051 -0.988 1.00 0.00 N ATOM 998 CA TRP A 65 6.936 8.441 -0.733 1.00 0.00 C ATOM 999 C TRP A 65 8.158 9.347 -0.834 1.00 0.00 C ATOM 1000 O TRP A 65 8.037 10.542 -1.106 1.00 0.00 O ATOM 1001 CB TRP A 65 6.297 8.579 0.649 1.00 0.00 C ATOM 1002 CG TRP A 65 6.100 10.003 1.073 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.828 11.069 0.264 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.161 10.515 2.409 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.717 12.214 1.017 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.916 11.901 2.335 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.397 9.939 3.660 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.903 12.715 3.464 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.383 10.748 4.780 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.137 12.124 4.676 1.00 0.00 C ATOM 0 H TRP A 65 7.329 6.464 -0.155 1.00 0.00 H new ATOM 0 HA TRP A 65 6.215 8.748 -1.491 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.333 8.071 0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.923 8.072 1.383 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.717 11.020 -0.809 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.519 13.146 0.653 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.587 8.880 3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.715 13.776 3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.565 10.313 5.752 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.132 12.730 5.570 1.00 0.00 H new ATOM 1021 N LYS A 66 9.336 8.772 -0.615 1.00 0.00 N ATOM 1022 CA LYS A 66 10.581 9.527 -0.682 1.00 0.00 C ATOM 1023 C LYS A 66 10.902 9.920 -2.121 1.00 0.00 C ATOM 1024 O LYS A 66 11.272 11.061 -2.395 1.00 0.00 O ATOM 1025 CB LYS A 66 11.732 8.705 -0.098 1.00 0.00 C ATOM 1026 CG LYS A 66 13.099 9.331 -0.317 1.00 0.00 C ATOM 1027 CD LYS A 66 13.241 10.641 0.439 1.00 0.00 C ATOM 1028 CE LYS A 66 14.336 11.513 -0.156 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.200 12.936 0.261 1.00 0.00 N ATOM 0 H LYS A 66 9.454 7.784 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 66 10.457 10.437 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.568 8.575 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.721 7.711 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.874 8.637 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.254 9.506 -1.382 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.294 11.179 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.467 10.436 1.485 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.310 11.135 0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.301 11.448 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.965 13.497 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.281 13.305 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.259 13.001 1.297 1.00 0.00 H new ATOM 1043 N ALA A 67 10.757 8.967 -3.036 1.00 0.00 N ATOM 1044 CA ALA A 67 11.028 9.214 -4.446 1.00 0.00 C ATOM 1045 C ALA A 67 10.254 10.428 -4.949 1.00 0.00 C ATOM 1046 O ALA A 67 10.603 11.020 -5.972 1.00 0.00 O ATOM 1047 CB ALA A 67 10.682 7.985 -5.274 1.00 0.00 C ATOM 0 H ALA A 67 10.453 8.016 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 67 12.092 9.423 -4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.890 8.184 -6.325 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.283 7.140 -4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.625 7.749 -5.151 1.00 0.00 H new ATOM 1053 N LEU A 68 9.201 10.793 -4.227 1.00 0.00 N ATOM 1054 CA LEU A 68 8.376 11.937 -4.600 1.00 0.00 C ATOM 1055 C LEU A 68 8.857 13.206 -3.904 1.00 0.00 C ATOM 1056 O LEU A 68 8.073 13.920 -3.281 1.00 0.00 O ATOM 1057 CB LEU A 68 6.912 11.672 -4.247 1.00 0.00 C ATOM 1058 CG LEU A 68 6.335 10.341 -4.730 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.958 10.106 -4.128 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.267 10.309 -6.250 1.00 0.00 C ATOM 0 H LEU A 68 8.898 10.313 -3.379 1.00 0.00 H new ATOM 0 HA LEU A 68 8.463 12.080 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.806 11.719 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.307 12.479 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 68 6.995 9.539 -4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.563 9.154 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.035 10.084 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.288 10.911 -4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.854 9.354 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.629 11.120 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.269 10.430 -6.662 1.00 0.00 H new ATOM 1072 N GLY A 69 10.154 13.481 -4.016 1.00 0.00 N ATOM 1073 CA GLY A 69 10.717 14.665 -3.394 1.00 0.00 C ATOM 1074 C GLY A 69 10.210 15.948 -4.023 1.00 0.00 C ATOM 1075 O GLY A 69 9.762 16.856 -3.323 1.00 0.00 O ATOM 0 H GLY A 69 10.824 12.905 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.473 14.664 -2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.804 14.631 -3.472 1.00 0.00 H new ATOM 1079 N ASP A 70 10.281 16.023 -5.348 1.00 0.00 N ATOM 1080 CA ASP A 70 9.826 17.205 -6.072 1.00 0.00 C ATOM 1081 C ASP A 70 8.542 16.909 -6.841 1.00 0.00 C ATOM 1082 O ASP A 70 8.370 17.354 -7.975 1.00 0.00 O ATOM 1083 CB ASP A 70 10.911 17.689 -7.034 1.00 0.00 C ATOM 1084 CG ASP A 70 12.066 18.357 -6.315 1.00 0.00 C ATOM 1085 OD1 ASP A 70 11.813 19.070 -5.321 1.00 0.00 O ATOM 1086 OD2 ASP A 70 13.223 18.169 -6.746 1.00 0.00 O ATOM 0 H ASP A 70 10.649 15.280 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 70 9.620 17.990 -5.345 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.286 16.843 -7.610 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.475 18.390 -7.745 1.00 0.00 H new ATOM 1091 N SER A 71 7.643 16.155 -6.215 1.00 0.00 N ATOM 1092 CA SER A 71 6.377 15.796 -6.842 1.00 0.00 C ATOM 1093 C SER A 71 5.311 16.850 -6.557 1.00 0.00 C ATOM 1094 O SER A 71 5.579 17.858 -5.903 1.00 0.00 O ATOM 1095 CB SER A 71 5.906 14.429 -6.343 1.00 0.00 C ATOM 1096 OG SER A 71 6.612 13.381 -6.982 1.00 0.00 O ATOM 0 H SER A 71 7.769 15.781 -5.274 1.00 0.00 H new ATOM 0 HA SER A 71 6.535 15.747 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.049 14.363 -5.264 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.838 14.319 -6.530 1.00 0.00 H new ATOM 0 HG SER A 71 6.062 13.007 -7.701 1.00 0.00 H new ATOM 1102 N SER A 72 4.102 16.608 -7.052 1.00 0.00 N ATOM 1103 CA SER A 72 2.995 17.537 -6.855 1.00 0.00 C ATOM 1104 C SER A 72 1.795 16.828 -6.236 1.00 0.00 C ATOM 1105 O SER A 72 1.631 15.613 -6.351 1.00 0.00 O ATOM 1106 CB SER A 72 2.594 18.177 -8.186 1.00 0.00 C ATOM 1107 OG SER A 72 3.403 19.304 -8.474 1.00 0.00 O ATOM 0 H SER A 72 3.864 15.777 -7.593 1.00 0.00 H new ATOM 0 HA SER A 72 3.326 18.318 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.687 17.444 -8.988 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.547 18.477 -8.148 1.00 0.00 H new ATOM 0 HG SER A 72 3.128 19.694 -9.330 1.00 0.00 H new ATOM 1113 N PRO A 73 0.933 17.605 -5.562 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.269 17.074 -4.911 1.00 0.00 C ATOM 1115 C PRO A 73 -1.318 16.614 -5.918 1.00 0.00 C ATOM 1116 O PRO A 73 -1.830 15.498 -5.829 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.789 18.264 -4.102 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.267 19.464 -4.815 1.00 0.00 C ATOM 1119 CD PRO A 73 1.065 19.060 -5.384 1.00 0.00 C ATOM 0 HA PRO A 73 -0.051 16.194 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.878 18.270 -4.062 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.433 18.229 -3.073 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.950 19.777 -5.605 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.161 20.308 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.268 19.564 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.883 19.310 -4.708 1.00 0.00 H new ATOM 1127 N SER A 74 -1.634 17.481 -6.875 1.00 0.00 N ATOM 1128 CA SER A 74 -2.625 17.164 -7.896 1.00 0.00 C ATOM 1129 C SER A 74 -2.136 16.033 -8.795 1.00 0.00 C ATOM 1130 O SER A 74 -2.903 15.143 -9.163 1.00 0.00 O ATOM 1131 CB SER A 74 -2.933 18.403 -8.739 1.00 0.00 C ATOM 1132 OG SER A 74 -2.855 19.584 -7.958 1.00 0.00 O ATOM 0 H SER A 74 -1.218 18.408 -6.964 1.00 0.00 H new ATOM 0 HA SER A 74 -3.536 16.838 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.230 18.465 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.930 18.314 -9.171 1.00 0.00 H new ATOM 0 HG SER A 74 -3.054 20.362 -8.520 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.854 16.075 -9.145 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.263 15.054 -10.002 1.00 0.00 C ATOM 1140 C GLN A 75 -0.213 13.707 -9.288 1.00 0.00 C ATOM 1141 O GLN A 75 -0.192 12.656 -9.928 1.00 0.00 O ATOM 1142 CB GLN A 75 1.146 15.471 -10.429 1.00 0.00 C ATOM 1143 CG GLN A 75 1.177 16.739 -11.266 1.00 0.00 C ATOM 1144 CD GLN A 75 1.029 16.464 -12.749 1.00 0.00 C ATOM 1145 OE1 GLN A 75 0.074 15.818 -13.180 1.00 0.00 O ATOM 1146 NE2 GLN A 75 1.976 16.955 -13.540 1.00 0.00 N ATOM 0 H GLN A 75 -0.206 16.804 -8.849 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.889 14.952 -10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.758 15.618 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.600 14.659 -10.997 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.376 17.403 -10.942 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.116 17.263 -11.090 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.750 17.485 -13.140 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.929 16.802 -14.547 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.194 13.747 -7.960 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.148 12.529 -7.160 1.00 0.00 C ATOM 1157 C ALA A 76 -1.533 11.905 -7.031 1.00 0.00 C ATOM 1158 O ALA A 76 -1.663 10.700 -6.818 1.00 0.00 O ATOM 1159 CB ALA A 76 0.431 12.824 -5.784 1.00 0.00 C ATOM 0 H ALA A 76 -0.210 14.609 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 76 0.498 11.813 -7.668 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.460 11.906 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.442 13.218 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.193 13.560 -5.277 1.00 0.00 H new ATOM 1165 N MET A 77 -2.565 12.733 -7.160 1.00 0.00 N ATOM 1166 CA MET A 77 -3.940 12.260 -7.058 1.00 0.00 C ATOM 1167 C MET A 77 -4.410 11.663 -8.381 1.00 0.00 C ATOM 1168 O MET A 77 -5.273 10.786 -8.405 1.00 0.00 O ATOM 1169 CB MET A 77 -4.866 13.406 -6.645 1.00 0.00 C ATOM 1170 CG MET A 77 -4.608 13.919 -5.238 1.00 0.00 C ATOM 1171 SD MET A 77 -5.983 14.887 -4.588 1.00 0.00 S ATOM 1172 CE MET A 77 -5.212 16.494 -4.412 1.00 0.00 C ATOM 0 H MET A 77 -2.475 13.734 -7.335 1.00 0.00 H new ATOM 0 HA MET A 77 -3.974 11.481 -6.296 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.749 14.229 -7.350 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.900 13.070 -6.716 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.419 13.074 -4.576 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.706 14.531 -5.238 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.938 17.205 -4.018 1.00 0.00 H new ATOM 0 HE2 MET A 77 -4.368 16.420 -3.726 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.859 16.837 -5.385 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.836 12.145 -9.479 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.198 11.659 -10.806 1.00 0.00 C ATOM 1184 C GLN A 78 -3.913 10.166 -10.935 1.00 0.00 C ATOM 1185 O GLN A 78 -4.786 9.391 -11.323 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.431 12.431 -11.881 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.915 13.861 -12.065 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.626 14.401 -13.452 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.524 14.238 -13.977 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.616 15.049 -14.053 1.00 0.00 N ATOM 0 H GLN A 78 -3.119 12.871 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.267 11.820 -10.946 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.373 12.445 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.519 11.901 -12.830 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.988 13.904 -11.879 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.437 14.501 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.513 15.161 -13.581 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.480 15.435 -14.987 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.687 9.772 -10.607 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.288 8.372 -10.687 1.00 0.00 C ATOM 1201 C GLU A 79 -2.861 7.575 -9.519 1.00 0.00 C ATOM 1202 O GLU A 79 -3.198 6.399 -9.661 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.763 8.253 -10.701 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.118 8.831 -11.949 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.609 8.165 -13.221 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -1.090 7.016 -13.142 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.511 8.795 -14.295 1.00 0.00 O ATOM 0 H GLU A 79 -1.953 10.402 -10.283 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.686 7.960 -11.615 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.359 8.761 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.488 7.202 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.326 9.900 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.964 8.720 -11.879 1.00 0.00 H new ATOM 1214 N TYR A 80 -2.968 8.223 -8.364 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.497 7.575 -7.170 1.00 0.00 C ATOM 1216 C TYR A 80 -4.939 7.126 -7.387 1.00 0.00 C ATOM 1217 O TYR A 80 -5.355 6.077 -6.895 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.421 8.524 -5.973 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.174 8.029 -4.759 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.562 8.077 -4.711 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.498 7.515 -3.660 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.254 7.627 -3.604 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.182 7.061 -2.549 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.560 7.119 -2.525 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.245 6.669 -1.420 1.00 0.00 O ATOM 0 H TYR A 80 -2.695 9.197 -8.230 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.888 6.694 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.375 8.674 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.818 9.496 -6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.109 8.473 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.419 7.469 -3.674 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.333 7.672 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.641 6.663 -1.704 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.608 6.343 -0.751 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.696 7.928 -8.128 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.091 7.614 -8.413 1.00 0.00 C ATOM 1237 C ILE A 81 -7.208 6.646 -9.585 1.00 0.00 C ATOM 1238 O ILE A 81 -7.695 5.526 -9.432 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.901 8.885 -8.728 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.378 9.547 -7.433 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.084 8.551 -9.625 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.538 11.047 -7.544 1.00 0.00 C ATOM 0 H ILE A 81 -5.367 8.800 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.499 7.146 -7.517 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.256 9.587 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.332 9.109 -7.141 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.667 9.324 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.647 9.460 -9.839 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.722 8.120 -10.559 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.732 7.833 -9.121 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.878 11.448 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.580 11.497 -7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.271 11.279 -8.317 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.757 7.085 -10.755 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.807 6.256 -11.953 1.00 0.00 C ATOM 1256 C ALA A 82 -6.636 4.781 -11.608 1.00 0.00 C ATOM 1257 O ALA A 82 -7.497 3.957 -11.917 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.740 6.696 -12.944 1.00 0.00 C ATOM 0 H ALA A 82 -6.353 8.010 -10.899 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.788 6.383 -12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.789 6.068 -13.834 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.910 7.736 -13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.756 6.600 -12.486 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.519 4.454 -10.965 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.235 3.078 -10.577 1.00 0.00 C ATOM 1266 C VAL A 83 -6.495 2.375 -10.083 1.00 0.00 C ATOM 1267 O VAL A 83 -6.915 1.363 -10.644 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.160 3.015 -9.476 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.462 4.022 -8.377 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.061 1.607 -8.909 1.00 0.00 C ATOM 0 H VAL A 83 -4.796 5.124 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.863 2.569 -11.466 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.197 3.273 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.692 3.963 -7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.478 5.027 -8.799 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.433 3.799 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.297 1.580 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.022 1.318 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.794 0.912 -9.705 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.094 2.919 -9.029 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.308 2.346 -8.459 1.00 0.00 C ATOM 1282 C VAL A 84 -9.342 2.061 -9.542 1.00 0.00 C ATOM 1283 O VAL A 84 -10.118 1.111 -9.441 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.929 3.281 -7.404 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.843 4.054 -6.671 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.924 4.230 -8.055 1.00 0.00 C ATOM 0 H VAL A 84 -6.759 3.756 -8.552 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.021 1.410 -7.979 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.465 2.674 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.300 4.709 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.172 3.355 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.278 4.653 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.354 4.884 -7.296 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.414 4.833 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.719 3.654 -8.530 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.348 2.891 -10.580 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.285 2.729 -11.685 1.00 0.00 C ATOM 1298 C LYS A 85 -9.886 1.553 -12.570 1.00 0.00 C ATOM 1299 O LYS A 85 -10.740 0.852 -13.113 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.349 4.010 -12.519 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.299 5.281 -11.688 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.513 6.517 -12.545 1.00 0.00 C ATOM 1303 CE LYS A 85 -10.008 6.305 -13.964 1.00 0.00 C ATOM 1304 NZ LYS A 85 -10.033 7.566 -14.756 1.00 0.00 N ATOM 0 H LYS A 85 -8.713 3.683 -10.679 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.270 2.527 -11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.519 4.015 -13.226 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.267 4.006 -13.106 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.063 5.239 -10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.335 5.349 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.574 6.766 -12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.997 7.366 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.990 5.916 -13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.622 5.553 -14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.681 7.379 -15.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.008 7.924 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.427 8.276 -14.297 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.582 1.340 -12.709 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.068 0.247 -13.526 1.00 0.00 C ATOM 1320 C LYS A 86 -8.474 -1.104 -12.945 1.00 0.00 C ATOM 1321 O LYS A 86 -8.631 -2.083 -13.675 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.543 0.332 -13.628 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.057 1.343 -14.652 1.00 0.00 C ATOM 1324 CD LYS A 86 -6.088 2.757 -14.098 1.00 0.00 C ATOM 1325 CE LYS A 86 -7.341 3.500 -14.535 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.384 3.696 -16.010 1.00 0.00 N ATOM 0 H LYS A 86 -7.861 1.910 -12.266 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.499 0.339 -14.523 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.136 0.593 -12.651 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.149 -0.651 -13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.041 1.093 -14.957 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.681 1.287 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.045 2.723 -13.009 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.205 3.300 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.223 2.944 -14.217 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.380 4.470 -14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.959 4.533 -16.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.418 3.834 -16.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.805 2.858 -16.459 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.644 -1.149 -11.628 1.00 0.00 N ATOM 1341 CA LEU A 87 -9.034 -2.380 -10.949 1.00 0.00 C ATOM 1342 C LEU A 87 -10.550 -2.549 -10.956 1.00 0.00 C ATOM 1343 O LEU A 87 -11.061 -3.645 -11.184 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.516 -2.378 -9.510 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.186 -1.662 -9.276 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.077 -1.194 -7.833 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.020 -2.572 -9.633 1.00 0.00 C ATOM 0 H LEU A 87 -8.518 -0.348 -11.009 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.591 -3.218 -11.487 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.271 -1.916 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.412 -3.412 -9.181 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.149 -0.786 -9.924 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.124 -0.687 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.892 -0.505 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.137 -2.054 -7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.081 -2.045 -9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.054 -3.467 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.089 -2.856 -10.683 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.263 -1.456 -10.708 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.721 -1.482 -10.688 1.00 0.00 C ATOM 1361 C ASP A 88 -13.295 -0.300 -11.464 1.00 0.00 C ATOM 1362 O ASP A 88 -13.448 0.803 -10.939 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.233 -1.460 -9.248 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.653 -1.979 -9.131 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -14.947 -3.042 -9.717 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.470 -1.322 -8.452 1.00 0.00 O ATOM 0 H ASP A 88 -10.855 -0.541 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.051 -2.404 -11.168 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.576 -2.064 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.189 -0.440 -8.865 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.621 -0.534 -12.744 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.183 0.499 -13.619 1.00 0.00 C ATOM 1373 C PRO A 89 -15.605 0.881 -13.225 1.00 0.00 C ATOM 1374 O PRO A 89 -16.093 1.952 -13.584 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.169 -0.161 -15.000 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.217 -1.623 -14.722 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.465 -1.825 -13.435 1.00 0.00 C ATOM 0 HA PRO A 89 -13.616 1.428 -13.570 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.023 0.156 -15.599 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.271 0.107 -15.558 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.247 -1.969 -14.631 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.761 -2.190 -15.534 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.881 -2.646 -12.851 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.416 -2.061 -13.615 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.267 -0.002 -12.483 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.627 0.262 -12.052 1.00 0.00 C ATOM 1387 C GLY A 90 -17.683 1.063 -10.767 1.00 0.00 C ATOM 1388 O GLY A 90 -18.504 0.787 -9.891 1.00 0.00 O ATOM 0 H GLY A 90 -15.885 -0.896 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.155 0.803 -12.837 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.150 -0.684 -11.910 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.809 2.055 -10.652 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.761 2.898 -9.462 1.00 0.00 C ATOM 1394 C TRP A 91 -17.394 4.258 -9.733 1.00 0.00 C ATOM 1395 O TRP A 91 -16.941 5.002 -10.602 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.315 3.078 -8.997 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.124 4.261 -8.097 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -15.898 4.611 -7.028 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.092 5.249 -8.188 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.411 5.758 -6.449 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.303 6.169 -7.142 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.010 5.446 -9.050 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.471 7.267 -6.938 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.186 6.537 -8.847 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.420 7.435 -7.797 1.00 0.00 C ATOM 0 H TRP A 91 -16.123 2.296 -11.368 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.329 2.404 -8.674 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -14.994 2.177 -8.474 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.671 3.187 -9.870 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -16.766 4.066 -6.687 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -15.810 6.227 -5.636 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.821 4.758 -9.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.649 7.961 -6.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.348 6.700 -9.509 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.757 8.277 -7.663 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.444 4.578 -8.984 1.00 0.00 N ATOM 1417 CA ASN A 92 -19.139 5.850 -9.144 1.00 0.00 C ATOM 1418 C ASN A 92 -19.022 6.697 -7.881 1.00 0.00 C ATOM 1419 O ASN A 92 -19.780 6.537 -6.924 1.00 0.00 O ATOM 1420 CB ASN A 92 -20.614 5.610 -9.476 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.797 4.672 -10.653 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -20.069 4.751 -11.643 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.773 3.777 -10.550 1.00 0.00 N ATOM 0 H ASN A 92 -18.832 3.974 -8.260 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.671 6.391 -9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.117 5.195 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -21.094 6.564 -9.697 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.944 3.119 -11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.352 3.748 -9.711 1.00 0.00 H new ATOM 1430 N PRO A 93 -18.050 7.621 -7.877 1.00 0.00 N ATOM 1431 CA PRO A 93 -17.810 8.513 -6.738 1.00 0.00 C ATOM 1432 C PRO A 93 -18.923 9.541 -6.563 1.00 0.00 C ATOM 1433 O PRO A 93 -19.346 9.825 -5.443 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.494 9.206 -7.101 1.00 0.00 C ATOM 1435 CG PRO A 93 -16.435 9.151 -8.588 1.00 0.00 C ATOM 1436 CD PRO A 93 -17.110 7.867 -8.983 1.00 0.00 C ATOM 0 HA PRO A 93 -17.774 7.969 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.476 10.235 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.641 8.697 -6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.940 10.009 -9.030 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.403 9.173 -8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.628 7.963 -9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.393 7.053 -9.090 1.00 0.00 H new ATOM 1444 N GLN A 94 -19.392 10.094 -7.677 1.00 0.00 N ATOM 1445 CA GLN A 94 -20.455 11.091 -7.645 1.00 0.00 C ATOM 1446 C GLN A 94 -21.819 10.439 -7.851 1.00 0.00 C ATOM 1447 O GLN A 94 -22.189 10.094 -8.974 1.00 0.00 O ATOM 1448 CB GLN A 94 -20.218 12.155 -8.719 1.00 0.00 C ATOM 1449 CG GLN A 94 -21.170 13.336 -8.625 1.00 0.00 C ATOM 1450 CD GLN A 94 -20.882 14.402 -9.664 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -21.178 14.228 -10.847 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -20.302 15.513 -9.228 1.00 0.00 N ATOM 0 H GLN A 94 -19.053 9.869 -8.612 1.00 0.00 H new ATOM 0 HA GLN A 94 -20.444 11.566 -6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -19.193 12.518 -8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -20.318 11.696 -9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.194 12.983 -8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -21.100 13.776 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.074 15.615 -8.239 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -20.084 16.265 -9.882 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.560 10.273 -6.761 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.883 9.663 -6.823 1.00 0.00 C ATOM 1463 C ILE A 95 -24.952 10.615 -6.297 1.00 0.00 C ATOM 1464 O ILE A 95 -24.833 11.182 -5.211 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.936 8.352 -6.016 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -23.024 7.300 -6.650 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -25.366 7.840 -5.933 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -23.245 7.125 -8.136 1.00 0.00 C ATOM 0 H ILE A 95 -22.267 10.552 -5.825 1.00 0.00 H new ATOM 0 HA ILE A 95 -24.081 9.443 -7.872 1.00 0.00 H new ATOM 0 HB ILE A 95 -23.582 8.550 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -21.985 7.579 -6.476 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -23.185 6.344 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -25.388 6.913 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.991 8.585 -5.442 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.745 7.654 -6.938 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.564 6.364 -8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -24.274 6.815 -8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.056 8.070 -8.646 1.00 0.00 H new ATOM 1480 N PRO A 96 -26.023 10.794 -7.084 1.00 0.00 N ATOM 1481 CA PRO A 96 -27.136 11.674 -6.717 1.00 0.00 C ATOM 1482 C PRO A 96 -27.958 11.119 -5.558 1.00 0.00 C ATOM 1483 O PRO A 96 -28.351 11.857 -4.656 1.00 0.00 O ATOM 1484 CB PRO A 96 -27.980 11.729 -7.993 1.00 0.00 C ATOM 1485 CG PRO A 96 -27.668 10.460 -8.709 1.00 0.00 C ATOM 1486 CD PRO A 96 -26.231 10.149 -8.391 1.00 0.00 C ATOM 0 HA PRO A 96 -26.789 12.649 -6.376 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -29.043 11.802 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -27.725 12.598 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -28.324 9.654 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -27.815 10.571 -9.783 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -26.054 9.075 -8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -25.556 10.549 -9.148 1.00 0.00 H new ATOM 1494 N GLU A 97 -28.212 9.814 -5.591 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.987 9.162 -4.543 1.00 0.00 C ATOM 1496 C GLU A 97 -28.366 9.412 -3.171 1.00 0.00 C ATOM 1497 O GLU A 97 -27.144 9.428 -3.023 1.00 0.00 O ATOM 1498 CB GLU A 97 -29.078 7.657 -4.806 1.00 0.00 C ATOM 1499 CG GLU A 97 -30.214 6.976 -4.062 1.00 0.00 C ATOM 1500 CD GLU A 97 -30.483 5.572 -4.567 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -30.471 5.371 -5.799 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -30.707 4.673 -3.729 1.00 0.00 O ATOM 0 H GLU A 97 -27.893 9.189 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.991 9.587 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -29.205 7.491 -5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -28.136 7.189 -4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -29.975 6.936 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -31.120 7.574 -4.163 1.00 0.00 H new ATOM 1509 N LYS A 98 -29.218 9.608 -2.170 1.00 0.00 N ATOM 1510 CA LYS A 98 -28.756 9.857 -0.810 1.00 0.00 C ATOM 1511 C LYS A 98 -28.388 8.551 -0.112 1.00 0.00 C ATOM 1512 O LYS A 98 -29.106 7.556 -0.216 1.00 0.00 O ATOM 1513 CB LYS A 98 -29.834 10.590 -0.009 1.00 0.00 C ATOM 1514 CG LYS A 98 -29.281 11.441 1.121 1.00 0.00 C ATOM 1515 CD LYS A 98 -30.380 11.901 2.063 1.00 0.00 C ATOM 1516 CE LYS A 98 -30.705 10.838 3.101 1.00 0.00 C ATOM 1517 NZ LYS A 98 -31.689 11.328 4.107 1.00 0.00 N ATOM 0 H LYS A 98 -30.232 9.599 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 98 -27.865 10.482 -0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -30.407 11.226 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -30.528 9.858 0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -28.539 10.869 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -28.769 12.309 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -30.071 12.818 2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -31.276 12.138 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -31.104 9.954 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -29.789 10.533 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -31.884 10.575 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -31.298 12.156 4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -32.572 11.596 3.627 1.00 0.00 H new ATOM 1531 N LYS A 99 -27.267 8.562 0.601 1.00 0.00 N ATOM 1532 CA LYS A 99 -26.806 7.380 1.319 1.00 0.00 C ATOM 1533 C LYS A 99 -27.879 6.871 2.276 1.00 0.00 C ATOM 1534 O LYS A 99 -28.687 7.645 2.786 1.00 0.00 O ATOM 1535 CB LYS A 99 -25.524 7.696 2.094 1.00 0.00 C ATOM 1536 CG LYS A 99 -25.714 8.739 3.182 1.00 0.00 C ATOM 1537 CD LYS A 99 -24.408 9.441 3.514 1.00 0.00 C ATOM 1538 CE LYS A 99 -24.177 10.645 2.614 1.00 0.00 C ATOM 1539 NZ LYS A 99 -23.007 11.453 3.057 1.00 0.00 N ATOM 0 H LYS A 99 -26.661 9.377 0.697 1.00 0.00 H new ATOM 0 HA LYS A 99 -26.598 6.600 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -25.146 6.778 2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -24.764 8.046 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -26.451 9.474 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -26.111 8.263 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -24.421 9.761 4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -23.580 8.741 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -24.018 10.308 1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -25.069 11.271 2.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -22.883 12.264 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -23.169 11.797 4.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -22.151 10.863 3.038 1.00 0.00 H new ATOM 1553 N GLY A 100 -27.879 5.563 2.517 1.00 0.00 N ATOM 1554 CA GLY A 100 -28.856 4.974 3.414 1.00 0.00 C ATOM 1555 C GLY A 100 -29.977 4.275 2.671 1.00 0.00 C ATOM 1556 O GLY A 100 -30.756 4.914 1.963 1.00 0.00 O ATOM 0 H GLY A 100 -27.220 4.901 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -28.358 4.260 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -29.276 5.753 4.051 1.00 0.00 H new ATOM 1560 N LYS A 101 -30.060 2.959 2.831 1.00 0.00 N ATOM 1561 CA LYS A 101 -31.094 2.171 2.170 1.00 0.00 C ATOM 1562 C LYS A 101 -32.401 2.220 2.955 1.00 0.00 C ATOM 1563 O LYS A 101 -32.395 2.272 4.184 1.00 0.00 O ATOM 1564 CB LYS A 101 -30.636 0.719 2.012 1.00 0.00 C ATOM 1565 CG LYS A 101 -30.525 -0.030 3.329 1.00 0.00 C ATOM 1566 CD LYS A 101 -29.804 -1.356 3.157 1.00 0.00 C ATOM 1567 CE LYS A 101 -28.295 -1.186 3.246 1.00 0.00 C ATOM 1568 NZ LYS A 101 -27.687 -0.920 1.913 1.00 0.00 N ATOM 0 H LYS A 101 -29.423 2.415 3.413 1.00 0.00 H new ATOM 0 HA LYS A 101 -31.267 2.600 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -31.337 0.194 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -29.667 0.705 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -29.991 0.584 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -31.522 -0.206 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -30.138 -2.055 3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -30.066 -1.791 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -28.062 -0.364 3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -27.853 -2.086 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -26.918 -1.599 1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -28.412 -1.023 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -27.306 0.047 1.892 1.00 0.00 H new ATOM 1582 N GLU A 102 -33.519 2.202 2.236 1.00 0.00 N ATOM 1583 CA GLU A 102 -34.833 2.244 2.867 1.00 0.00 C ATOM 1584 C GLU A 102 -34.893 3.341 3.926 1.00 0.00 C ATOM 1585 O GLU A 102 -35.639 3.238 4.899 1.00 0.00 O ATOM 1586 CB GLU A 102 -35.163 0.890 3.499 1.00 0.00 C ATOM 1587 CG GLU A 102 -35.818 -0.087 2.537 1.00 0.00 C ATOM 1588 CD GLU A 102 -36.013 -1.462 3.145 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -36.619 -1.548 4.234 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -35.560 -2.452 2.533 1.00 0.00 O ATOM 0 H GLU A 102 -33.541 2.159 1.217 1.00 0.00 H new ATOM 0 HA GLU A 102 -35.571 2.466 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -34.246 0.446 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -35.825 1.048 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -36.785 0.309 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -35.205 -0.174 1.640 1.00 0.00 H new ATOM 1597 N ALA A 103 -34.100 4.389 3.730 1.00 0.00 N ATOM 1598 CA ALA A 103 -34.063 5.505 4.667 1.00 0.00 C ATOM 1599 C ALA A 103 -35.281 6.407 4.494 1.00 0.00 C ATOM 1600 O ALA A 103 -35.973 6.724 5.462 1.00 0.00 O ATOM 1601 CB ALA A 103 -32.782 6.305 4.485 1.00 0.00 C ATOM 0 H ALA A 103 -33.474 4.489 2.931 1.00 0.00 H new ATOM 0 HA ALA A 103 -34.084 5.099 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -32.768 7.135 5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -31.922 5.660 4.666 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -32.737 6.693 3.468 1.00 0.00 H new ATOM 1607 N SER A 104 -35.536 6.818 3.256 1.00 0.00 N ATOM 1608 CA SER A 104 -36.667 7.688 2.958 1.00 0.00 C ATOM 1609 C SER A 104 -37.215 7.408 1.562 1.00 0.00 C ATOM 1610 O SER A 104 -36.696 6.558 0.839 1.00 0.00 O ATOM 1611 CB SER A 104 -36.253 9.157 3.070 1.00 0.00 C ATOM 1612 OG SER A 104 -37.387 10.005 3.115 1.00 0.00 O ATOM 0 H SER A 104 -34.975 6.562 2.444 1.00 0.00 H new ATOM 0 HA SER A 104 -37.452 7.483 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.652 9.301 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.627 9.427 2.220 1.00 0.00 H new ATOM 0 HG SER A 104 -37.095 10.938 3.188 1.00 0.00 H new ATOM 1618 N GLY A 105 -38.268 8.129 1.190 1.00 0.00 N ATOM 1619 CA GLY A 105 -38.870 7.944 -0.118 1.00 0.00 C ATOM 1620 C GLY A 105 -39.032 9.249 -0.871 1.00 0.00 C ATOM 1621 O GLY A 105 -39.043 10.332 -0.285 1.00 0.00 O ATOM 0 H GLY A 105 -38.715 8.838 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -38.254 7.263 -0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -39.845 7.471 -0.002 1.00 0.00 H new ATOM 1625 N PRO A 106 -39.161 9.156 -2.203 1.00 0.00 N ATOM 1626 CA PRO A 106 -39.325 10.330 -3.066 1.00 0.00 C ATOM 1627 C PRO A 106 -40.683 10.999 -2.884 1.00 0.00 C ATOM 1628 O PRO A 106 -40.769 12.213 -2.704 1.00 0.00 O ATOM 1629 CB PRO A 106 -39.200 9.752 -4.478 1.00 0.00 C ATOM 1630 CG PRO A 106 -39.603 8.324 -4.340 1.00 0.00 C ATOM 1631 CD PRO A 106 -39.157 7.898 -2.969 1.00 0.00 C ATOM 0 HA PRO A 106 -38.593 11.106 -2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -39.846 10.279 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -38.181 9.841 -4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -40.681 8.210 -4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -39.136 7.711 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -39.835 7.162 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -38.166 7.444 -2.992 1.00 0.00 H new ATOM 1639 N SER A 107 -41.743 10.198 -2.930 1.00 0.00 N ATOM 1640 CA SER A 107 -43.098 10.713 -2.772 1.00 0.00 C ATOM 1641 C SER A 107 -43.129 11.863 -1.770 1.00 0.00 C ATOM 1642 O SER A 107 -42.492 11.802 -0.719 1.00 0.00 O ATOM 1643 CB SER A 107 -44.041 9.598 -2.316 1.00 0.00 C ATOM 1644 OG SER A 107 -44.355 8.725 -3.387 1.00 0.00 O ATOM 0 H SER A 107 -41.689 9.190 -3.075 1.00 0.00 H new ATOM 0 HA SER A 107 -43.432 11.088 -3.739 1.00 0.00 H new ATOM 0 HB2 SER A 107 -43.577 9.034 -1.507 1.00 0.00 H new ATOM 0 HB3 SER A 107 -44.957 10.033 -1.917 1.00 0.00 H new ATOM 0 HG SER A 107 -44.957 8.021 -3.069 1.00 0.00 H new ATOM 1650 N SER A 108 -43.875 12.911 -2.104 1.00 0.00 N ATOM 1651 CA SER A 108 -43.987 14.077 -1.235 1.00 0.00 C ATOM 1652 C SER A 108 -45.450 14.433 -0.990 1.00 0.00 C ATOM 1653 O SER A 108 -46.286 14.327 -1.886 1.00 0.00 O ATOM 1654 CB SER A 108 -43.257 15.271 -1.853 1.00 0.00 C ATOM 1655 OG SER A 108 -43.371 16.420 -1.031 1.00 0.00 O ATOM 0 H SER A 108 -44.411 12.977 -2.970 1.00 0.00 H new ATOM 0 HA SER A 108 -43.525 13.833 -0.278 1.00 0.00 H new ATOM 0 HB2 SER A 108 -42.205 15.024 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 108 -43.670 15.483 -2.839 1.00 0.00 H new ATOM 0 HG SER A 108 -42.895 17.169 -1.447 1.00 0.00 H new ATOM 1661 N GLY A 109 -45.753 14.856 0.234 1.00 0.00 N ATOM 1662 CA GLY A 109 -47.115 15.221 0.578 1.00 0.00 C ATOM 1663 C GLY A 109 -47.742 14.257 1.565 1.00 0.00 C ATOM 1664 O GLY A 109 -47.044 13.467 2.200 1.00 0.00 O ATOM 0 H GLY A 109 -45.079 14.952 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -47.123 16.225 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -47.719 15.252 -0.329 1.00 0.00 H new TER 1668 GLY A 109