USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 889 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 29 HIS : no HD1:sc= -0.316 X(o=0.088,f=0.18) USER MOD Set 1.2: A 99 SER OG : rot -143:sc= 0.403 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.34 X(o=0.12,f=-0.22) USER MOD Set 2.2: A 93 CYS SG : rot 52:sc= -0.218 USER MOD Set 3.1: A 50 TYR OH : rot -148:sc= 0.00382 USER MOD Set 3.2: A 81 HIS : no HD1:sc= 0.00346 X(o=0.0073,f=0) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0493 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.56) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00161 K(o=-0.0016,f=0.91) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.0044) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -4:sc= 0.231 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -110:sc= -0.852 (180deg=-2.95!) USER MOD Single : A 55 ASN : amide:sc= -0.0668 X(o=-0.067,f=0.016) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 174:sc= -2.73! (180deg=-2.85!) USER MOD Single : A 61 MET CE :methyl 145:sc= -0.141 (180deg=-0.146) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -140:sc= 0.225 USER MOD Single : A 64 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 69 MET CE :methyl 169:sc= -6.45! (180deg=-6.89!) USER MOD Single : A 71 THR OG1 : rot -170:sc= -0.0715 USER MOD Single : A 76 MET CE :methyl -112:sc= -4.46! (180deg=-8.62!) USER MOD Single : A 78 MET CE :methyl -114:sc= -2.36 (180deg=-4.47!) USER MOD Single : A 82 CYS SG : rot -18:sc= 0.156 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -3.85! C(o=-3.9!,f=-5.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.381 USER MOD Single : A 103 LYS NZ :NH3+ 139:sc= -1.39 (180deg=-3.34!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.492 40.650 -10.094 1.00 0.00 N ATOM 2 CA GLY A 1 -5.814 40.067 -9.967 1.00 0.00 C ATOM 3 C GLY A 1 -5.791 38.554 -10.049 1.00 0.00 C ATOM 4 O GLY A 1 -4.750 37.930 -9.844 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.309 41.275 -9.283 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.779 39.893 -10.115 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.439 41.201 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.251 40.370 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.458 40.461 -10.753 1.00 0.00 H new ATOM 8 N SER A 2 -6.942 37.961 -10.351 1.00 0.00 N ATOM 9 CA SER A 2 -7.050 36.510 -10.455 1.00 0.00 C ATOM 10 C SER A 2 -7.965 36.116 -11.611 1.00 0.00 C ATOM 11 O SER A 2 -8.958 36.787 -11.889 1.00 0.00 O ATOM 12 CB SER A 2 -7.582 35.922 -9.147 1.00 0.00 C ATOM 13 OG SER A 2 -6.524 35.643 -8.246 1.00 0.00 O ATOM 0 H SER A 2 -7.812 38.463 -10.528 1.00 0.00 H new ATOM 0 HA SER A 2 -6.055 36.109 -10.647 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.280 36.622 -8.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.137 35.008 -9.355 1.00 0.00 H new ATOM 0 HG SER A 2 -6.890 35.270 -7.417 1.00 0.00 H new ATOM 19 N SER A 3 -7.620 35.021 -12.282 1.00 0.00 N ATOM 20 CA SER A 3 -8.407 34.538 -13.411 1.00 0.00 C ATOM 21 C SER A 3 -9.610 33.734 -12.931 1.00 0.00 C ATOM 22 O SER A 3 -9.783 33.509 -11.733 1.00 0.00 O ATOM 23 CB SER A 3 -7.539 33.679 -14.333 1.00 0.00 C ATOM 24 OG SER A 3 -7.320 34.325 -15.576 1.00 0.00 O ATOM 0 H SER A 3 -6.802 34.452 -12.064 1.00 0.00 H new ATOM 0 HA SER A 3 -8.770 35.403 -13.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.582 33.476 -13.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.022 32.716 -14.500 1.00 0.00 H new ATOM 0 HG SER A 3 -6.761 33.756 -16.146 1.00 0.00 H new ATOM 30 N GLY A 4 -10.442 33.304 -13.875 1.00 0.00 N ATOM 31 CA GLY A 4 -11.620 32.530 -13.529 1.00 0.00 C ATOM 32 C GLY A 4 -12.390 32.070 -14.751 1.00 0.00 C ATOM 33 O GLY A 4 -12.576 30.871 -14.960 1.00 0.00 O ATOM 0 H GLY A 4 -10.321 33.478 -14.873 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.321 31.661 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.273 33.131 -12.897 1.00 0.00 H new ATOM 37 N SER A 5 -12.842 33.024 -15.558 1.00 0.00 N ATOM 38 CA SER A 5 -13.602 32.710 -16.763 1.00 0.00 C ATOM 39 C SER A 5 -14.896 31.983 -16.414 1.00 0.00 C ATOM 40 O SER A 5 -15.206 31.772 -15.242 1.00 0.00 O ATOM 41 CB SER A 5 -12.762 31.854 -17.712 1.00 0.00 C ATOM 42 OG SER A 5 -12.197 32.643 -18.746 1.00 0.00 O ATOM 0 H SER A 5 -12.695 34.021 -15.400 1.00 0.00 H new ATOM 0 HA SER A 5 -13.855 33.647 -17.259 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.968 31.358 -17.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.383 31.071 -18.146 1.00 0.00 H new ATOM 0 HG SER A 5 -11.663 32.073 -19.338 1.00 0.00 H new ATOM 48 N SER A 6 -15.649 31.603 -17.441 1.00 0.00 N ATOM 49 CA SER A 6 -16.913 30.902 -17.245 1.00 0.00 C ATOM 50 C SER A 6 -16.691 29.569 -16.539 1.00 0.00 C ATOM 51 O SER A 6 -15.576 29.047 -16.509 1.00 0.00 O ATOM 52 CB SER A 6 -17.606 30.671 -18.589 1.00 0.00 C ATOM 53 OG SER A 6 -18.896 31.258 -18.605 1.00 0.00 O ATOM 0 H SER A 6 -15.406 31.769 -18.418 1.00 0.00 H new ATOM 0 HA SER A 6 -17.551 31.524 -16.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.001 31.093 -19.391 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.687 29.601 -18.781 1.00 0.00 H new ATOM 0 HG SER A 6 -19.317 31.098 -19.475 1.00 0.00 H new ATOM 59 N GLY A 7 -17.761 29.022 -15.969 1.00 0.00 N ATOM 60 CA GLY A 7 -17.663 27.753 -15.271 1.00 0.00 C ATOM 61 C GLY A 7 -17.887 26.567 -16.188 1.00 0.00 C ATOM 62 O GLY A 7 -17.932 26.716 -17.409 1.00 0.00 O ATOM 0 H GLY A 7 -18.694 29.435 -15.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.679 27.671 -14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.396 27.728 -14.465 1.00 0.00 H new ATOM 66 N LYS A 8 -18.025 25.384 -15.599 1.00 0.00 N ATOM 67 CA LYS A 8 -18.245 24.166 -16.370 1.00 0.00 C ATOM 68 C LYS A 8 -16.949 23.694 -17.022 1.00 0.00 C ATOM 69 O LYS A 8 -16.548 22.540 -16.867 1.00 0.00 O ATOM 70 CB LYS A 8 -19.311 24.401 -17.441 1.00 0.00 C ATOM 71 CG LYS A 8 -20.352 23.298 -17.518 1.00 0.00 C ATOM 72 CD LYS A 8 -21.758 23.863 -17.622 1.00 0.00 C ATOM 73 CE LYS A 8 -22.790 22.898 -17.059 1.00 0.00 C ATOM 74 NZ LYS A 8 -23.377 22.033 -18.118 1.00 0.00 N ATOM 0 H LYS A 8 -17.988 25.243 -14.589 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.591 23.391 -15.687 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.812 25.348 -17.241 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.824 24.497 -18.411 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.149 22.665 -18.382 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.278 22.665 -16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.812 24.809 -17.084 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -21.989 24.076 -18.666 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.325 22.273 -16.297 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -23.584 23.461 -16.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -24.075 21.390 -17.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.843 22.627 -18.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.623 21.476 -18.569 1.00 0.00 H new ATOM 88 N LYS A 9 -16.296 24.593 -17.751 1.00 0.00 N ATOM 89 CA LYS A 9 -15.045 24.270 -18.424 1.00 0.00 C ATOM 90 C LYS A 9 -14.131 23.457 -17.513 1.00 0.00 C ATOM 91 O LYS A 9 -14.219 23.523 -16.286 1.00 0.00 O ATOM 92 CB LYS A 9 -14.334 25.552 -18.866 1.00 0.00 C ATOM 93 CG LYS A 9 -14.381 25.787 -20.366 1.00 0.00 C ATOM 94 CD LYS A 9 -15.712 26.380 -20.796 1.00 0.00 C ATOM 95 CE LYS A 9 -16.429 25.477 -21.788 1.00 0.00 C ATOM 96 NZ LYS A 9 -17.900 25.708 -21.786 1.00 0.00 N ATOM 0 H LYS A 9 -16.614 25.552 -17.890 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.279 23.670 -19.303 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.789 26.403 -18.359 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.293 25.509 -18.546 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.572 26.458 -20.656 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.216 24.845 -20.888 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -16.343 26.534 -19.921 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.547 27.359 -21.246 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.035 25.653 -22.789 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.225 24.435 -21.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -18.352 25.074 -22.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.280 25.516 -20.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -18.097 26.696 -22.044 1.00 0.00 H new ATOM 110 N PRO A 10 -13.229 22.675 -18.123 1.00 0.00 N ATOM 111 CA PRO A 10 -12.279 21.837 -17.386 1.00 0.00 C ATOM 112 C PRO A 10 -11.219 22.660 -16.662 1.00 0.00 C ATOM 113 O PRO A 10 -10.182 22.992 -17.234 1.00 0.00 O ATOM 114 CB PRO A 10 -11.636 20.980 -18.479 1.00 0.00 C ATOM 115 CG PRO A 10 -11.776 21.788 -19.723 1.00 0.00 C ATOM 116 CD PRO A 10 -13.066 22.548 -19.581 1.00 0.00 C ATOM 0 HA PRO A 10 -12.770 21.257 -16.605 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.589 20.774 -18.256 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.137 20.017 -18.574 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.933 22.469 -19.843 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.796 21.147 -20.604 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.013 23.523 -20.066 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.900 22.012 -20.033 1.00 0.00 H new ATOM 124 N GLU A 11 -11.488 22.985 -15.401 1.00 0.00 N ATOM 125 CA GLU A 11 -10.556 23.771 -14.601 1.00 0.00 C ATOM 126 C GLU A 11 -10.089 22.984 -13.380 1.00 0.00 C ATOM 127 O GLU A 11 -8.898 22.734 -13.207 1.00 0.00 O ATOM 128 CB GLU A 11 -11.208 25.082 -14.158 1.00 0.00 C ATOM 129 CG GLU A 11 -11.266 26.134 -15.253 1.00 0.00 C ATOM 130 CD GLU A 11 -12.023 27.378 -14.828 1.00 0.00 C ATOM 131 OE1 GLU A 11 -13.271 27.329 -14.798 1.00 0.00 O ATOM 132 OE2 GLU A 11 -11.370 28.397 -14.528 1.00 0.00 O ATOM 0 H GLU A 11 -12.342 22.717 -14.912 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.688 23.997 -15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.220 24.875 -13.811 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.655 25.484 -13.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.251 26.411 -15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.742 25.708 -16.136 1.00 0.00 H new ATOM 139 N GLY A 12 -11.040 22.597 -12.534 1.00 0.00 N ATOM 140 CA GLY A 12 -10.708 21.843 -11.339 1.00 0.00 C ATOM 141 C GLY A 12 -11.356 20.473 -11.320 1.00 0.00 C ATOM 142 O GLY A 12 -11.446 19.805 -12.351 1.00 0.00 O ATOM 0 H GLY A 12 -12.034 22.792 -12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.626 21.731 -11.273 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.025 22.404 -10.460 1.00 0.00 H new ATOM 146 N LYS A 13 -11.807 20.051 -10.144 1.00 0.00 N ATOM 147 CA LYS A 13 -12.450 18.750 -9.992 1.00 0.00 C ATOM 148 C LYS A 13 -13.809 18.891 -9.314 1.00 0.00 C ATOM 149 O LYS A 13 -13.978 18.576 -8.136 1.00 0.00 O ATOM 150 CB LYS A 13 -11.558 17.809 -9.180 1.00 0.00 C ATOM 151 CG LYS A 13 -10.951 18.459 -7.948 1.00 0.00 C ATOM 152 CD LYS A 13 -9.435 18.510 -8.035 1.00 0.00 C ATOM 153 CE LYS A 13 -8.888 19.814 -7.475 1.00 0.00 C ATOM 154 NZ LYS A 13 -7.648 20.242 -8.178 1.00 0.00 N ATOM 0 H LYS A 13 -11.739 20.591 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.601 18.329 -10.986 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.143 16.942 -8.872 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.755 17.441 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.344 19.470 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.247 17.903 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.010 17.670 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.125 18.401 -9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.644 20.594 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.680 19.694 -6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.307 21.134 -7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.918 19.510 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.852 20.382 -9.188 1.00 0.00 H new ATOM 168 N PRO A 14 -14.803 19.374 -10.074 1.00 0.00 N ATOM 169 CA PRO A 14 -16.165 19.566 -9.568 1.00 0.00 C ATOM 170 C PRO A 14 -16.877 18.243 -9.305 1.00 0.00 C ATOM 171 O PRO A 14 -16.474 17.198 -9.815 1.00 0.00 O ATOM 172 CB PRO A 14 -16.859 20.332 -10.697 1.00 0.00 C ATOM 173 CG PRO A 14 -16.099 19.968 -11.925 1.00 0.00 C ATOM 174 CD PRO A 14 -14.674 19.771 -11.486 1.00 0.00 C ATOM 0 HA PRO A 14 -16.175 20.089 -8.612 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.908 20.048 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.834 21.407 -10.520 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -16.498 19.059 -12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -16.171 20.755 -12.676 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.175 19.002 -12.075 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.090 20.685 -11.595 1.00 0.00 H new ATOM 182 N ASP A 15 -17.938 18.296 -8.507 1.00 0.00 N ATOM 183 CA ASP A 15 -18.707 17.101 -8.178 1.00 0.00 C ATOM 184 C ASP A 15 -19.969 17.015 -9.032 1.00 0.00 C ATOM 185 O ASP A 15 -20.530 18.036 -9.431 1.00 0.00 O ATOM 186 CB ASP A 15 -19.080 17.101 -6.695 1.00 0.00 C ATOM 187 CG ASP A 15 -18.338 16.036 -5.912 1.00 0.00 C ATOM 188 OD1 ASP A 15 -17.190 16.297 -5.495 1.00 0.00 O ATOM 189 OD2 ASP A 15 -18.906 14.942 -5.714 1.00 0.00 O ATOM 0 H ASP A 15 -18.285 19.153 -8.076 1.00 0.00 H new ATOM 0 HA ASP A 15 -18.086 16.230 -8.389 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -18.862 18.080 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -20.153 16.941 -6.593 1.00 0.00 H new ATOM 194 N GLN A 16 -20.406 15.792 -9.309 1.00 0.00 N ATOM 195 CA GLN A 16 -21.600 15.573 -10.118 1.00 0.00 C ATOM 196 C GLN A 16 -21.869 14.082 -10.301 1.00 0.00 C ATOM 197 O GLN A 16 -20.999 13.249 -10.049 1.00 0.00 O ATOM 198 CB GLN A 16 -21.448 16.246 -11.483 1.00 0.00 C ATOM 199 CG GLN A 16 -22.736 16.864 -12.004 1.00 0.00 C ATOM 200 CD GLN A 16 -23.375 17.810 -11.005 1.00 0.00 C ATOM 201 OE1 GLN A 16 -24.451 17.536 -10.474 1.00 0.00 O ATOM 202 NE2 GLN A 16 -22.714 18.932 -10.747 1.00 0.00 N ATOM 0 H GLN A 16 -19.952 14.937 -8.986 1.00 0.00 H new ATOM 0 HA GLN A 16 -22.448 16.015 -9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -20.685 17.021 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -21.090 15.510 -12.204 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -22.528 17.404 -12.928 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -23.442 16.071 -12.250 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -21.825 19.118 -11.211 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -23.095 19.608 -10.085 1.00 0.00 H new ATOM 211 N LYS A 17 -23.079 13.754 -10.739 1.00 0.00 N ATOM 212 CA LYS A 17 -23.464 12.364 -10.957 1.00 0.00 C ATOM 213 C LYS A 17 -23.018 11.886 -12.335 1.00 0.00 C ATOM 214 O LYS A 17 -23.746 11.165 -13.018 1.00 0.00 O ATOM 215 CB LYS A 17 -24.979 12.205 -10.815 1.00 0.00 C ATOM 216 CG LYS A 17 -25.773 13.018 -11.822 1.00 0.00 C ATOM 217 CD LYS A 17 -27.004 12.266 -12.301 1.00 0.00 C ATOM 218 CE LYS A 17 -27.860 13.124 -13.219 1.00 0.00 C ATOM 219 NZ LYS A 17 -27.785 12.667 -14.635 1.00 0.00 N ATOM 0 H LYS A 17 -23.811 14.432 -10.950 1.00 0.00 H new ATOM 0 HA LYS A 17 -22.969 11.753 -10.202 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -25.237 11.152 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -25.274 12.501 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -26.076 13.963 -11.370 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -25.139 13.261 -12.675 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -26.697 11.362 -12.828 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -27.595 11.949 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -28.896 13.094 -12.882 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -27.534 14.162 -13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -28.382 13.277 -15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -26.800 12.719 -14.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -28.120 11.685 -14.701 1.00 0.00 H new ATOM 233 N PHE A 18 -21.818 12.291 -12.738 1.00 0.00 N ATOM 234 CA PHE A 18 -21.276 11.903 -14.035 1.00 0.00 C ATOM 235 C PHE A 18 -19.922 11.217 -13.875 1.00 0.00 C ATOM 236 O PHE A 18 -18.918 11.865 -13.577 1.00 0.00 O ATOM 237 CB PHE A 18 -21.135 13.129 -14.939 1.00 0.00 C ATOM 238 CG PHE A 18 -20.980 12.785 -16.394 1.00 0.00 C ATOM 239 CD1 PHE A 18 -19.855 12.112 -16.844 1.00 0.00 C ATOM 240 CD2 PHE A 18 -21.958 13.136 -17.310 1.00 0.00 C ATOM 241 CE1 PHE A 18 -19.709 11.795 -18.181 1.00 0.00 C ATOM 242 CE2 PHE A 18 -21.817 12.820 -18.649 1.00 0.00 C ATOM 243 CZ PHE A 18 -20.691 12.150 -19.085 1.00 0.00 C ATOM 0 H PHE A 18 -21.203 12.888 -12.185 1.00 0.00 H new ATOM 0 HA PHE A 18 -21.969 11.198 -14.495 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -22.012 13.765 -14.815 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -20.271 13.711 -14.617 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.084 11.832 -16.142 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -22.840 13.662 -16.975 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -18.828 11.270 -18.519 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -22.587 13.097 -19.353 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.578 11.904 -20.131 1.00 0.00 H new ATOM 253 N ASP A 19 -19.904 9.905 -14.073 1.00 0.00 N ATOM 254 CA ASP A 19 -18.674 9.129 -13.952 1.00 0.00 C ATOM 255 C ASP A 19 -17.609 9.648 -14.912 1.00 0.00 C ATOM 256 O ASP A 19 -17.821 9.693 -16.124 1.00 0.00 O ATOM 257 CB ASP A 19 -18.949 7.650 -14.226 1.00 0.00 C ATOM 258 CG ASP A 19 -19.619 7.424 -15.567 1.00 0.00 C ATOM 259 OD1 ASP A 19 -18.944 7.596 -16.605 1.00 0.00 O ATOM 260 OD2 ASP A 19 -20.818 7.075 -15.581 1.00 0.00 O ATOM 0 H ASP A 19 -20.727 9.355 -14.318 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.303 9.238 -12.933 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.010 7.097 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.582 7.249 -13.435 1.00 0.00 H new ATOM 265 N GLN A 20 -16.463 10.038 -14.362 1.00 0.00 N ATOM 266 CA GLN A 20 -15.365 10.556 -15.170 1.00 0.00 C ATOM 267 C GLN A 20 -14.117 9.695 -15.007 1.00 0.00 C ATOM 268 O GLN A 20 -13.807 9.234 -13.908 1.00 0.00 O ATOM 269 CB GLN A 20 -15.056 12.002 -14.782 1.00 0.00 C ATOM 270 CG GLN A 20 -14.080 12.689 -15.723 1.00 0.00 C ATOM 271 CD GLN A 20 -14.757 13.697 -16.631 1.00 0.00 C ATOM 272 OE1 GLN A 20 -15.129 14.789 -16.198 1.00 0.00 O ATOM 273 NE2 GLN A 20 -14.922 13.337 -17.899 1.00 0.00 N ATOM 0 H GLN A 20 -16.271 10.005 -13.361 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.671 10.526 -16.216 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.986 12.570 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.647 12.019 -13.772 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.310 13.192 -15.138 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.578 11.937 -16.332 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.599 12.423 -18.216 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.372 13.975 -18.556 1.00 0.00 H new ATOM 282 N LYS A 21 -13.405 9.480 -16.107 1.00 0.00 N ATOM 283 CA LYS A 21 -12.189 8.675 -16.088 1.00 0.00 C ATOM 284 C LYS A 21 -10.957 9.554 -15.902 1.00 0.00 C ATOM 285 O LYS A 21 -10.793 10.563 -16.588 1.00 0.00 O ATOM 286 CB LYS A 21 -12.063 7.872 -17.384 1.00 0.00 C ATOM 287 CG LYS A 21 -12.290 6.382 -17.202 1.00 0.00 C ATOM 288 CD LYS A 21 -12.001 5.612 -18.480 1.00 0.00 C ATOM 289 CE LYS A 21 -13.275 5.333 -19.262 1.00 0.00 C ATOM 290 NZ LYS A 21 -13.052 5.411 -20.732 1.00 0.00 N ATOM 0 H LYS A 21 -13.649 9.852 -17.025 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.254 7.986 -15.246 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.781 8.254 -18.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.070 8.031 -17.805 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.651 6.011 -16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.321 6.205 -16.895 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.309 6.181 -19.101 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.509 4.670 -18.236 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.650 4.343 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.043 6.050 -18.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.944 5.215 -21.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.718 6.364 -20.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.338 4.709 -21.012 1.00 0.00 H new ATOM 304 N GLN A 22 -10.093 9.165 -14.968 1.00 0.00 N ATOM 305 CA GLN A 22 -8.876 9.919 -14.693 1.00 0.00 C ATOM 306 C GLN A 22 -9.190 11.201 -13.928 1.00 0.00 C ATOM 307 O GLN A 22 -8.518 12.218 -14.100 1.00 0.00 O ATOM 308 CB GLN A 22 -8.152 10.255 -15.998 1.00 0.00 C ATOM 309 CG GLN A 22 -6.699 9.807 -16.021 1.00 0.00 C ATOM 310 CD GLN A 22 -5.741 10.951 -16.287 1.00 0.00 C ATOM 311 OE1 GLN A 22 -5.897 12.046 -15.745 1.00 0.00 O ATOM 312 NE2 GLN A 22 -4.741 10.704 -17.124 1.00 0.00 N ATOM 0 H GLN A 22 -10.214 8.333 -14.390 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.227 9.298 -14.075 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.681 9.787 -16.828 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.194 11.332 -16.160 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.450 9.344 -15.066 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.570 9.044 -16.788 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.649 9.782 -17.551 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.064 11.436 -17.340 1.00 0.00 H new ATOM 321 N GLU A 23 -10.217 11.144 -13.085 1.00 0.00 N ATOM 322 CA GLU A 23 -10.620 12.302 -12.295 1.00 0.00 C ATOM 323 C GLU A 23 -10.905 11.902 -10.850 1.00 0.00 C ATOM 324 O GLU A 23 -11.400 12.704 -10.058 1.00 0.00 O ATOM 325 CB GLU A 23 -11.859 12.958 -12.908 1.00 0.00 C ATOM 326 CG GLU A 23 -11.594 14.337 -13.486 1.00 0.00 C ATOM 327 CD GLU A 23 -12.719 15.314 -13.204 1.00 0.00 C ATOM 328 OE1 GLU A 23 -13.825 15.120 -13.751 1.00 0.00 O ATOM 329 OE2 GLU A 23 -12.493 16.273 -12.435 1.00 0.00 O ATOM 0 H GLU A 23 -10.784 10.310 -12.932 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.798 13.018 -12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.250 12.313 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.634 13.036 -12.145 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.665 14.728 -13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.451 14.254 -14.563 1.00 0.00 H new ATOM 336 N LEU A 24 -10.587 10.657 -10.513 1.00 0.00 N ATOM 337 CA LEU A 24 -10.808 10.148 -9.164 1.00 0.00 C ATOM 338 C LEU A 24 -9.484 9.964 -8.428 1.00 0.00 C ATOM 339 O LEU A 24 -9.252 10.574 -7.385 1.00 0.00 O ATOM 340 CB LEU A 24 -11.566 8.821 -9.215 1.00 0.00 C ATOM 341 CG LEU A 24 -12.327 8.533 -10.510 1.00 0.00 C ATOM 342 CD1 LEU A 24 -13.296 7.376 -10.314 1.00 0.00 C ATOM 343 CD2 LEU A 24 -13.067 9.776 -10.982 1.00 0.00 C ATOM 0 H LEU A 24 -10.175 9.981 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.406 10.879 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.855 8.012 -9.047 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.275 8.798 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.606 8.251 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.828 7.186 -11.246 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.743 6.483 -10.023 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.012 7.630 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.603 9.552 -11.905 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.777 10.089 -10.217 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.352 10.578 -11.163 1.00 0.00 H new ATOM 355 N GLY A 25 -8.619 9.118 -8.980 1.00 0.00 N ATOM 356 CA GLY A 25 -7.329 8.870 -8.364 1.00 0.00 C ATOM 357 C GLY A 25 -7.251 7.502 -7.714 1.00 0.00 C ATOM 358 O GLY A 25 -7.854 7.270 -6.666 1.00 0.00 O ATOM 0 H GLY A 25 -8.789 8.600 -9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.547 8.956 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.134 9.637 -7.614 1.00 0.00 H new ATOM 362 N ARG A 26 -6.508 6.594 -8.337 1.00 0.00 N ATOM 363 CA ARG A 26 -6.355 5.242 -7.815 1.00 0.00 C ATOM 364 C ARG A 26 -4.950 5.029 -7.259 1.00 0.00 C ATOM 365 O ARG A 26 -3.992 4.860 -8.014 1.00 0.00 O ATOM 366 CB ARG A 26 -6.644 4.214 -8.910 1.00 0.00 C ATOM 367 CG ARG A 26 -7.953 4.455 -9.644 1.00 0.00 C ATOM 368 CD ARG A 26 -7.715 4.860 -11.090 1.00 0.00 C ATOM 369 NE ARG A 26 -7.442 6.288 -11.221 1.00 0.00 N ATOM 370 CZ ARG A 26 -7.113 6.872 -12.368 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.018 6.152 -13.477 1.00 0.00 N ATOM 372 NH2 ARG A 26 -6.880 8.178 -12.407 1.00 0.00 N ATOM 0 H ARG A 26 -6.002 6.770 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.071 5.109 -7.004 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.826 4.224 -9.631 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.665 3.219 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.560 3.550 -9.614 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.518 5.235 -9.135 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.876 4.292 -11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.590 4.602 -11.687 1.00 0.00 H new ATOM 0 HE ARG A 26 -7.507 6.870 -10.386 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.198 5.148 -13.450 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.765 6.602 -14.357 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.953 8.735 -11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.627 8.625 -13.288 1.00 0.00 H new ATOM 386 N VAL A 27 -4.834 5.038 -5.935 1.00 0.00 N ATOM 387 CA VAL A 27 -3.548 4.845 -5.279 1.00 0.00 C ATOM 388 C VAL A 27 -3.669 3.881 -4.104 1.00 0.00 C ATOM 389 O VAL A 27 -4.319 4.185 -3.102 1.00 0.00 O ATOM 390 CB VAL A 27 -2.969 6.180 -4.774 1.00 0.00 C ATOM 391 CG1 VAL A 27 -1.767 5.936 -3.874 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.595 7.075 -5.948 1.00 0.00 C ATOM 0 H VAL A 27 -5.617 5.177 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.874 4.423 -6.024 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.733 6.689 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.372 6.891 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.071 5.336 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.996 5.406 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.187 8.014 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.847 6.574 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.482 7.278 -6.548 1.00 0.00 H new ATOM 402 N ILE A 28 -3.040 2.717 -4.232 1.00 0.00 N ATOM 403 CA ILE A 28 -3.076 1.710 -3.180 1.00 0.00 C ATOM 404 C ILE A 28 -2.072 2.029 -2.078 1.00 0.00 C ATOM 405 O ILE A 28 -0.863 1.885 -2.264 1.00 0.00 O ATOM 406 CB ILE A 28 -2.781 0.304 -3.737 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.791 -0.060 -4.827 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.807 -0.726 -2.617 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.192 -0.284 -4.300 1.00 0.00 C ATOM 0 H ILE A 28 -2.499 2.449 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.084 1.724 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.784 0.307 -4.179 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.814 0.736 -5.571 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.454 -0.963 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.597 -1.714 -3.026 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.052 -0.473 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.791 -0.729 -2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.855 -0.538 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.183 -1.100 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.548 0.625 -3.816 1.00 0.00 H new ATOM 421 N HIS A 29 -2.581 2.461 -0.928 1.00 0.00 N ATOM 422 CA HIS A 29 -1.729 2.799 0.206 1.00 0.00 C ATOM 423 C HIS A 29 -1.327 1.545 0.976 1.00 0.00 C ATOM 424 O HIS A 29 -2.178 0.835 1.516 1.00 0.00 O ATOM 425 CB HIS A 29 -2.447 3.775 1.138 1.00 0.00 C ATOM 426 CG HIS A 29 -1.524 4.523 2.048 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.858 5.725 2.636 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.272 4.233 2.472 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.850 6.144 3.381 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.124 5.256 3.299 1.00 0.00 N ATOM 0 H HIS A 29 -3.579 2.585 -0.757 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.826 3.273 -0.179 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.010 4.490 0.538 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.170 3.224 1.740 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.308 3.360 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.827 7.057 3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.025 5.319 3.773 1.00 0.00 H new ATOM 438 N LEU A 30 -0.028 1.275 1.022 1.00 0.00 N ATOM 439 CA LEU A 30 0.487 0.106 1.726 1.00 0.00 C ATOM 440 C LEU A 30 1.312 0.520 2.941 1.00 0.00 C ATOM 441 O LEU A 30 2.436 1.005 2.804 1.00 0.00 O ATOM 442 CB LEU A 30 1.339 -0.746 0.783 1.00 0.00 C ATOM 443 CG LEU A 30 0.599 -1.403 -0.382 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.543 -1.632 -1.552 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.036 -2.714 0.060 1.00 0.00 C ATOM 0 H LEU A 30 0.689 1.850 0.580 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.363 -0.483 2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.132 -0.119 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.821 -1.529 1.369 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.195 -0.731 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.999 -2.100 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.949 -0.677 -1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.359 -2.283 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.558 -3.167 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.740 -3.393 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.745 -2.522 0.865 1.00 0.00 H new ATOM 457 N SER A 31 0.748 0.324 4.128 1.00 0.00 N ATOM 458 CA SER A 31 1.429 0.679 5.367 1.00 0.00 C ATOM 459 C SER A 31 1.909 -0.570 6.099 1.00 0.00 C ATOM 460 O SER A 31 1.450 -1.678 5.826 1.00 0.00 O ATOM 461 CB SER A 31 0.499 1.489 6.272 1.00 0.00 C ATOM 462 OG SER A 31 0.153 2.725 5.672 1.00 0.00 O ATOM 0 H SER A 31 -0.180 -0.079 4.258 1.00 0.00 H new ATOM 0 HA SER A 31 2.297 1.287 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.405 0.915 6.477 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.986 1.670 7.230 1.00 0.00 H new ATOM 0 HG SER A 31 -0.443 3.223 6.269 1.00 0.00 H new ATOM 468 N ASN A 32 2.837 -0.382 7.031 1.00 0.00 N ATOM 469 CA ASN A 32 3.381 -1.493 7.804 1.00 0.00 C ATOM 470 C ASN A 32 4.095 -2.489 6.896 1.00 0.00 C ATOM 471 O ASN A 32 3.756 -3.673 6.867 1.00 0.00 O ATOM 472 CB ASN A 32 2.266 -2.198 8.577 1.00 0.00 C ATOM 473 CG ASN A 32 2.783 -2.936 9.797 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.758 -2.413 10.911 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.258 -4.160 9.590 1.00 0.00 N ATOM 0 H ASN A 32 3.228 0.529 7.270 1.00 0.00 H new ATOM 0 HA ASN A 32 4.105 -1.090 8.512 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.523 -1.463 8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.760 -2.903 7.917 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.621 -4.705 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.259 -4.554 8.649 1.00 0.00 H new ATOM 482 N LEU A 33 5.084 -2.002 6.155 1.00 0.00 N ATOM 483 CA LEU A 33 5.847 -2.850 5.245 1.00 0.00 C ATOM 484 C LEU A 33 7.157 -3.298 5.886 1.00 0.00 C ATOM 485 O LEU A 33 7.701 -2.636 6.771 1.00 0.00 O ATOM 486 CB LEU A 33 6.134 -2.103 3.941 1.00 0.00 C ATOM 487 CG LEU A 33 4.921 -1.796 3.062 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.220 -0.636 2.127 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.509 -3.029 2.272 1.00 0.00 C ATOM 0 H LEU A 33 5.377 -1.025 6.166 1.00 0.00 H new ATOM 0 HA LEU A 33 5.250 -3.735 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.628 -1.162 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.841 -2.692 3.357 1.00 0.00 H new ATOM 0 HG LEU A 33 4.091 -1.510 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.345 -0.432 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.465 0.250 2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.064 -0.893 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.644 -2.792 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.335 -3.346 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.252 -3.833 2.961 1.00 0.00 H new ATOM 501 N PRO A 34 7.677 -4.447 5.431 1.00 0.00 N ATOM 502 CA PRO A 34 8.929 -5.008 5.944 1.00 0.00 C ATOM 503 C PRO A 34 10.145 -4.182 5.535 1.00 0.00 C ATOM 504 O PRO A 34 10.014 -3.032 5.115 1.00 0.00 O ATOM 505 CB PRO A 34 8.987 -6.396 5.302 1.00 0.00 C ATOM 506 CG PRO A 34 8.171 -6.273 4.062 1.00 0.00 C ATOM 507 CD PRO A 34 7.081 -5.288 4.377 1.00 0.00 C ATOM 0 HA PRO A 34 8.950 -5.026 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.013 -6.684 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.583 -7.158 5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.780 -5.926 3.227 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.753 -7.237 3.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.805 -4.700 3.502 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.176 -5.787 4.724 1.00 0.00 H new ATOM 515 N HIS A 35 11.327 -4.775 5.661 1.00 0.00 N ATOM 516 CA HIS A 35 12.566 -4.095 5.304 1.00 0.00 C ATOM 517 C HIS A 35 13.756 -5.047 5.392 1.00 0.00 C ATOM 518 O HIS A 35 14.704 -4.802 6.138 1.00 0.00 O ATOM 519 CB HIS A 35 12.794 -2.889 6.218 1.00 0.00 C ATOM 520 CG HIS A 35 13.301 -1.679 5.497 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.495 -0.870 4.724 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.541 -1.139 5.439 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.218 0.114 4.219 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.463 -0.026 4.638 1.00 0.00 N ATOM 0 H HIS A 35 11.453 -5.726 6.008 1.00 0.00 H new ATOM 0 HA HIS A 35 12.476 -3.749 4.274 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.857 -2.639 6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.506 -3.163 6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.427 -1.514 5.931 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.853 0.899 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.240 0.592 4.405 1.00 0.00 H new ATOM 532 N SER A 36 13.696 -6.132 4.629 1.00 0.00 N ATOM 533 CA SER A 36 14.765 -7.123 4.626 1.00 0.00 C ATOM 534 C SER A 36 15.523 -7.100 3.301 1.00 0.00 C ATOM 535 O SER A 36 16.119 -8.097 2.897 1.00 0.00 O ATOM 536 CB SER A 36 14.195 -8.521 4.876 1.00 0.00 C ATOM 537 OG SER A 36 14.343 -8.896 6.235 1.00 0.00 O ATOM 0 H SER A 36 12.919 -6.348 4.005 1.00 0.00 H new ATOM 0 HA SER A 36 15.460 -6.874 5.428 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.140 -8.541 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.704 -9.244 4.238 1.00 0.00 H new ATOM 0 HG SER A 36 13.970 -9.792 6.370 1.00 0.00 H new ATOM 543 N GLY A 37 15.493 -5.954 2.629 1.00 0.00 N ATOM 544 CA GLY A 37 16.180 -5.821 1.358 1.00 0.00 C ATOM 545 C GLY A 37 15.437 -6.498 0.224 1.00 0.00 C ATOM 546 O GLY A 37 16.046 -7.155 -0.622 1.00 0.00 O ATOM 0 H GLY A 37 15.005 -5.115 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.306 -4.764 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.178 -6.250 1.441 1.00 0.00 H new ATOM 550 N TYR A 38 14.118 -6.342 0.207 1.00 0.00 N ATOM 551 CA TYR A 38 13.291 -6.949 -0.829 1.00 0.00 C ATOM 552 C TYR A 38 13.148 -6.014 -2.028 1.00 0.00 C ATOM 553 O TYR A 38 13.323 -4.802 -1.909 1.00 0.00 O ATOM 554 CB TYR A 38 11.909 -7.295 -0.270 1.00 0.00 C ATOM 555 CG TYR A 38 11.200 -6.118 0.362 1.00 0.00 C ATOM 556 CD1 TYR A 38 11.382 -5.813 1.705 1.00 0.00 C ATOM 557 CD2 TYR A 38 10.348 -5.312 -0.383 1.00 0.00 C ATOM 558 CE1 TYR A 38 10.736 -4.740 2.288 1.00 0.00 C ATOM 559 CE2 TYR A 38 9.698 -4.237 0.190 1.00 0.00 C ATOM 560 CZ TYR A 38 9.895 -3.954 1.526 1.00 0.00 C ATOM 561 OH TYR A 38 9.249 -2.884 2.101 1.00 0.00 O ATOM 0 H TYR A 38 13.599 -5.801 0.898 1.00 0.00 H new ATOM 0 HA TYR A 38 13.781 -7.864 -1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.290 -7.692 -1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.014 -8.086 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.040 -6.425 2.304 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.191 -5.530 -1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.888 -4.517 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.039 -3.621 -0.404 1.00 0.00 H new ATOM 0 HH TYR A 38 9.444 -2.862 3.061 1.00 0.00 H new ATOM 571 N SER A 39 12.827 -6.590 -3.182 1.00 0.00 N ATOM 572 CA SER A 39 12.662 -5.811 -4.405 1.00 0.00 C ATOM 573 C SER A 39 11.259 -5.219 -4.487 1.00 0.00 C ATOM 574 O SER A 39 10.296 -5.804 -3.992 1.00 0.00 O ATOM 575 CB SER A 39 12.932 -6.685 -5.631 1.00 0.00 C ATOM 576 OG SER A 39 11.891 -7.626 -5.825 1.00 0.00 O ATOM 0 H SER A 39 12.676 -7.592 -3.296 1.00 0.00 H new ATOM 0 HA SER A 39 13.382 -4.993 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.028 -6.056 -6.516 1.00 0.00 H new ATOM 0 HB3 SER A 39 13.881 -7.208 -5.507 1.00 0.00 H new ATOM 0 HG SER A 39 12.086 -8.171 -6.616 1.00 0.00 H new ATOM 582 N ASP A 40 11.152 -4.053 -5.116 1.00 0.00 N ATOM 583 CA ASP A 40 9.867 -3.380 -5.264 1.00 0.00 C ATOM 584 C ASP A 40 8.801 -4.349 -5.764 1.00 0.00 C ATOM 585 O ASP A 40 7.671 -4.349 -5.276 1.00 0.00 O ATOM 586 CB ASP A 40 9.995 -2.200 -6.230 1.00 0.00 C ATOM 587 CG ASP A 40 10.653 -2.590 -7.538 1.00 0.00 C ATOM 588 OD1 ASP A 40 11.898 -2.558 -7.608 1.00 0.00 O ATOM 589 OD2 ASP A 40 9.921 -2.929 -8.493 1.00 0.00 O ATOM 0 H ASP A 40 11.939 -3.555 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 40 9.564 -3.008 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.005 -1.791 -6.433 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.576 -1.408 -5.757 1.00 0.00 H new ATOM 594 N SER A 41 9.168 -5.173 -6.740 1.00 0.00 N ATOM 595 CA SER A 41 8.241 -6.144 -7.310 1.00 0.00 C ATOM 596 C SER A 41 7.491 -6.889 -6.209 1.00 0.00 C ATOM 597 O SER A 41 6.275 -7.068 -6.284 1.00 0.00 O ATOM 598 CB SER A 41 8.993 -7.140 -8.194 1.00 0.00 C ATOM 599 OG SER A 41 8.572 -7.042 -9.543 1.00 0.00 O ATOM 0 H SER A 41 10.101 -5.188 -7.153 1.00 0.00 H new ATOM 0 HA SER A 41 7.516 -5.604 -7.919 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.065 -6.952 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.825 -8.154 -7.830 1.00 0.00 H new ATOM 0 HG SER A 41 9.068 -7.687 -10.088 1.00 0.00 H new ATOM 605 N ALA A 42 8.225 -7.320 -5.189 1.00 0.00 N ATOM 606 CA ALA A 42 7.631 -8.044 -4.072 1.00 0.00 C ATOM 607 C ALA A 42 6.454 -7.274 -3.484 1.00 0.00 C ATOM 608 O ALA A 42 5.502 -7.867 -2.975 1.00 0.00 O ATOM 609 CB ALA A 42 8.677 -8.313 -3.001 1.00 0.00 C ATOM 0 H ALA A 42 9.233 -7.180 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 42 7.258 -8.997 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.219 -8.854 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.485 -8.911 -3.423 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.078 -7.367 -2.638 1.00 0.00 H new ATOM 615 N VAL A 43 6.524 -5.948 -3.554 1.00 0.00 N ATOM 616 CA VAL A 43 5.464 -5.097 -3.028 1.00 0.00 C ATOM 617 C VAL A 43 4.322 -4.959 -4.030 1.00 0.00 C ATOM 618 O VAL A 43 3.185 -4.674 -3.655 1.00 0.00 O ATOM 619 CB VAL A 43 5.994 -3.695 -2.674 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.844 -2.708 -2.542 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.816 -3.743 -1.395 1.00 0.00 C ATOM 0 H VAL A 43 7.305 -5.440 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 43 5.093 -5.576 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 43 6.642 -3.356 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.237 -1.723 -2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.301 -2.653 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.168 -3.040 -1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.182 -2.744 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.194 -4.103 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.662 -4.417 -1.531 1.00 0.00 H new ATOM 631 N LEU A 44 4.634 -5.164 -5.305 1.00 0.00 N ATOM 632 CA LEU A 44 3.634 -5.063 -6.362 1.00 0.00 C ATOM 633 C LEU A 44 2.974 -6.414 -6.618 1.00 0.00 C ATOM 634 O LEU A 44 1.951 -6.499 -7.298 1.00 0.00 O ATOM 635 CB LEU A 44 4.276 -4.544 -7.650 1.00 0.00 C ATOM 636 CG LEU A 44 5.390 -3.512 -7.477 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.133 -3.303 -8.787 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.823 -2.195 -6.967 1.00 0.00 C ATOM 0 H LEU A 44 5.571 -5.401 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 44 2.867 -4.360 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.679 -5.395 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.495 -4.105 -8.270 1.00 0.00 H new ATOM 0 HG LEU A 44 6.097 -3.890 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.922 -2.565 -8.644 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.573 -4.246 -9.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.437 -2.948 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.631 -1.472 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.094 -1.812 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.338 -2.356 -6.004 1.00 0.00 H new ATOM 650 N LYS A 45 3.564 -7.470 -6.067 1.00 0.00 N ATOM 651 CA LYS A 45 3.033 -8.817 -6.231 1.00 0.00 C ATOM 652 C LYS A 45 1.608 -8.909 -5.696 1.00 0.00 C ATOM 653 O LYS A 45 0.817 -9.739 -6.146 1.00 0.00 O ATOM 654 CB LYS A 45 3.926 -9.831 -5.512 1.00 0.00 C ATOM 655 CG LYS A 45 4.614 -10.808 -6.449 1.00 0.00 C ATOM 656 CD LYS A 45 5.144 -12.019 -5.699 1.00 0.00 C ATOM 657 CE LYS A 45 5.185 -13.252 -6.589 1.00 0.00 C ATOM 658 NZ LYS A 45 6.314 -13.199 -7.560 1.00 0.00 N ATOM 0 H LYS A 45 4.412 -7.418 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 45 3.018 -9.047 -7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.683 -9.294 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.323 -10.390 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.912 -11.133 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.436 -10.307 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.145 -11.806 -5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.514 -12.216 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.280 -14.144 -5.970 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.244 -13.340 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.307 -14.057 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.210 -12.362 -8.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.214 -13.141 -7.043 1.00 0.00 H new ATOM 672 N LEU A 46 1.285 -8.051 -4.734 1.00 0.00 N ATOM 673 CA LEU A 46 -0.046 -8.034 -4.139 1.00 0.00 C ATOM 674 C LEU A 46 -1.011 -7.210 -4.985 1.00 0.00 C ATOM 675 O LEU A 46 -2.215 -7.192 -4.731 1.00 0.00 O ATOM 676 CB LEU A 46 0.016 -7.468 -2.719 1.00 0.00 C ATOM 677 CG LEU A 46 1.225 -6.589 -2.400 1.00 0.00 C ATOM 678 CD1 LEU A 46 0.915 -5.656 -1.239 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.441 -7.448 -2.085 1.00 0.00 C ATOM 0 H LEU A 46 1.927 -7.358 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.412 -9.060 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.888 -6.886 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.002 -8.301 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 46 1.450 -5.983 -3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.787 -5.038 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.072 -5.016 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.663 -6.244 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.292 -6.805 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.226 -8.080 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.677 -8.075 -2.945 1.00 0.00 H new ATOM 691 N ALA A 47 -0.474 -6.532 -5.994 1.00 0.00 N ATOM 692 CA ALA A 47 -1.288 -5.710 -6.881 1.00 0.00 C ATOM 693 C ALA A 47 -1.130 -6.147 -8.334 1.00 0.00 C ATOM 694 O ALA A 47 -1.678 -5.524 -9.242 1.00 0.00 O ATOM 695 CB ALA A 47 -0.920 -4.242 -6.726 1.00 0.00 C ATOM 0 H ALA A 47 0.521 -6.536 -6.218 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.333 -5.842 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.536 -3.640 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.092 -3.931 -5.696 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.131 -4.102 -6.977 1.00 0.00 H new ATOM 701 N GLU A 48 -0.376 -7.222 -8.545 1.00 0.00 N ATOM 702 CA GLU A 48 -0.145 -7.739 -9.888 1.00 0.00 C ATOM 703 C GLU A 48 -1.406 -8.396 -10.442 1.00 0.00 C ATOM 704 O GLU A 48 -1.956 -7.979 -11.462 1.00 0.00 O ATOM 705 CB GLU A 48 1.006 -8.747 -9.879 1.00 0.00 C ATOM 706 CG GLU A 48 2.329 -8.166 -10.350 1.00 0.00 C ATOM 707 CD GLU A 48 3.161 -9.167 -11.129 1.00 0.00 C ATOM 708 OE1 GLU A 48 3.391 -10.279 -10.611 1.00 0.00 O ATOM 709 OE2 GLU A 48 3.583 -8.836 -12.258 1.00 0.00 O ATOM 0 H GLU A 48 0.084 -7.750 -7.804 1.00 0.00 H new ATOM 0 HA GLU A 48 0.120 -6.901 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.129 -9.136 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.743 -9.592 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.137 -7.294 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.898 -7.820 -9.487 1.00 0.00 H new ATOM 716 N PRO A 49 -1.875 -9.449 -9.756 1.00 0.00 N ATOM 717 CA PRO A 49 -3.076 -10.185 -10.161 1.00 0.00 C ATOM 718 C PRO A 49 -4.350 -9.368 -9.970 1.00 0.00 C ATOM 719 O PRO A 49 -5.451 -9.846 -10.242 1.00 0.00 O ATOM 720 CB PRO A 49 -3.076 -11.402 -9.231 1.00 0.00 C ATOM 721 CG PRO A 49 -2.312 -10.959 -8.030 1.00 0.00 C ATOM 722 CD PRO A 49 -1.270 -9.999 -8.532 1.00 0.00 C ATOM 0 HA PRO A 49 -3.059 -10.440 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.091 -11.699 -8.967 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.605 -12.263 -9.705 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.969 -10.478 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.850 -11.808 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.059 -9.218 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.327 -10.503 -8.742 1.00 0.00 H new ATOM 730 N TYR A 50 -4.190 -8.136 -9.501 1.00 0.00 N ATOM 731 CA TYR A 50 -5.328 -7.253 -9.272 1.00 0.00 C ATOM 732 C TYR A 50 -5.518 -6.293 -10.442 1.00 0.00 C ATOM 733 O TYR A 50 -6.643 -5.975 -10.823 1.00 0.00 O ATOM 734 CB TYR A 50 -5.136 -6.464 -7.976 1.00 0.00 C ATOM 735 CG TYR A 50 -5.289 -7.303 -6.727 1.00 0.00 C ATOM 736 CD1 TYR A 50 -4.199 -7.962 -6.172 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.522 -7.437 -6.103 1.00 0.00 C ATOM 738 CE1 TYR A 50 -4.334 -8.731 -5.032 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.667 -8.202 -4.962 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.570 -8.847 -4.431 1.00 0.00 C ATOM 741 OH TYR A 50 -5.710 -9.611 -3.295 1.00 0.00 O ATOM 0 H TYR A 50 -3.285 -7.726 -9.272 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.222 -7.871 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.145 -6.011 -7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.859 -5.649 -7.947 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.230 -7.872 -6.640 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.383 -6.934 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.477 -9.238 -4.614 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.633 -8.294 -4.489 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.604 -10.011 -3.278 1.00 0.00 H new ATOM 751 N GLY A 51 -4.406 -5.835 -11.009 1.00 0.00 N ATOM 752 CA GLY A 51 -4.469 -4.916 -12.130 1.00 0.00 C ATOM 753 C GLY A 51 -3.095 -4.517 -12.632 1.00 0.00 C ATOM 754 O GLY A 51 -2.087 -4.770 -11.971 1.00 0.00 O ATOM 0 H GLY A 51 -3.463 -6.084 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.029 -5.378 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.017 -4.022 -11.832 1.00 0.00 H new ATOM 758 N LYS A 52 -3.052 -3.893 -13.803 1.00 0.00 N ATOM 759 CA LYS A 52 -1.792 -3.459 -14.394 1.00 0.00 C ATOM 760 C LYS A 52 -1.174 -2.324 -13.584 1.00 0.00 C ATOM 761 O LYS A 52 -1.786 -1.270 -13.407 1.00 0.00 O ATOM 762 CB LYS A 52 -2.012 -3.006 -15.840 1.00 0.00 C ATOM 763 CG LYS A 52 -1.327 -3.892 -16.866 1.00 0.00 C ATOM 764 CD LYS A 52 -0.594 -3.070 -17.912 1.00 0.00 C ATOM 765 CE LYS A 52 -0.348 -3.872 -19.180 1.00 0.00 C ATOM 766 NZ LYS A 52 0.764 -3.302 -19.990 1.00 0.00 N ATOM 0 H LYS A 52 -3.877 -3.676 -14.363 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.105 -4.305 -14.385 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.082 -2.986 -16.047 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.646 -1.985 -15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.622 -4.555 -16.363 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.068 -4.526 -17.354 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.177 -2.180 -18.151 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.358 -2.728 -17.506 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.114 -4.904 -18.917 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.259 -3.894 -19.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.900 -3.877 -20.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.530 -2.326 -20.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.639 -3.304 -19.428 1.00 0.00 H new ATOM 780 N ILE A 53 0.041 -2.546 -13.096 1.00 0.00 N ATOM 781 CA ILE A 53 0.742 -1.540 -12.307 1.00 0.00 C ATOM 782 C ILE A 53 1.239 -0.399 -13.186 1.00 0.00 C ATOM 783 O ILE A 53 2.308 -0.485 -13.792 1.00 0.00 O ATOM 784 CB ILE A 53 1.939 -2.150 -11.553 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.479 -3.325 -10.687 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.623 -1.093 -10.700 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.464 -4.473 -10.654 1.00 0.00 C ATOM 0 H ILE A 53 0.561 -3.413 -13.233 1.00 0.00 H new ATOM 0 HA ILE A 53 0.025 -1.152 -11.583 1.00 0.00 H new ATOM 0 HB ILE A 53 2.658 -2.520 -12.283 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.311 -2.972 -9.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.522 -3.689 -11.061 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.466 -1.540 -10.174 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.981 -0.285 -11.339 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.913 -0.695 -9.975 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.073 -5.270 -10.022 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.615 -4.852 -11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.415 -4.125 -10.252 1.00 0.00 H new ATOM 799 N LYS A 54 0.456 0.673 -13.254 1.00 0.00 N ATOM 800 CA LYS A 54 0.816 1.835 -14.057 1.00 0.00 C ATOM 801 C LYS A 54 1.915 2.647 -13.378 1.00 0.00 C ATOM 802 O LYS A 54 2.656 3.376 -14.035 1.00 0.00 O ATOM 803 CB LYS A 54 -0.412 2.718 -14.292 1.00 0.00 C ATOM 804 CG LYS A 54 -0.897 2.713 -15.732 1.00 0.00 C ATOM 805 CD LYS A 54 -1.605 1.414 -16.078 1.00 0.00 C ATOM 806 CE LYS A 54 -1.261 0.949 -17.484 1.00 0.00 C ATOM 807 NZ LYS A 54 -2.403 1.129 -18.423 1.00 0.00 N ATOM 0 H LYS A 54 -0.433 0.761 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 54 1.191 1.480 -15.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.221 2.381 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.175 3.741 -14.001 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.575 3.551 -15.891 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.050 2.856 -16.403 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.325 0.643 -15.360 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.683 1.552 -15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.399 1.506 -17.850 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.974 -0.102 -17.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.787 0.199 -18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.146 1.692 -17.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.075 1.622 -19.278 1.00 0.00 H new ATOM 821 N ASN A 55 2.015 2.514 -12.059 1.00 0.00 N ATOM 822 CA ASN A 55 3.024 3.234 -11.292 1.00 0.00 C ATOM 823 C ASN A 55 3.087 2.719 -9.857 1.00 0.00 C ATOM 824 O ASN A 55 2.100 2.209 -9.327 1.00 0.00 O ATOM 825 CB ASN A 55 2.724 4.734 -11.296 1.00 0.00 C ATOM 826 CG ASN A 55 3.947 5.568 -11.620 1.00 0.00 C ATOM 827 OD1 ASN A 55 4.276 5.781 -12.788 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.630 6.045 -10.586 1.00 0.00 N ATOM 0 H ASN A 55 1.409 1.914 -11.499 1.00 0.00 H new ATOM 0 HA ASN A 55 3.992 3.064 -11.763 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.942 4.943 -12.026 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.336 5.027 -10.320 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.463 6.612 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.322 5.844 -9.635 1.00 0.00 H new ATOM 835 N TYR A 56 4.252 2.859 -9.234 1.00 0.00 N ATOM 836 CA TYR A 56 4.443 2.407 -7.861 1.00 0.00 C ATOM 837 C TYR A 56 5.466 3.279 -7.139 1.00 0.00 C ATOM 838 O TYR A 56 6.366 3.843 -7.761 1.00 0.00 O ATOM 839 CB TYR A 56 4.897 0.947 -7.842 1.00 0.00 C ATOM 840 CG TYR A 56 6.376 0.768 -8.096 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.877 0.722 -9.391 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.273 0.646 -7.042 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.228 0.558 -9.629 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.626 0.483 -7.270 1.00 0.00 C ATOM 845 CZ TYR A 56 9.098 0.440 -8.565 1.00 0.00 C ATOM 846 OH TYR A 56 10.446 0.277 -8.796 1.00 0.00 O ATOM 0 H TYR A 56 5.078 3.282 -9.658 1.00 0.00 H new ATOM 0 HA TYR A 56 3.489 2.491 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.648 0.511 -6.875 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.338 0.392 -8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.199 0.816 -10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.906 0.679 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.601 0.522 -10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.310 0.390 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 56 10.919 0.211 -7.940 1.00 0.00 H new ATOM 856 N ILE A 57 5.320 3.383 -5.823 1.00 0.00 N ATOM 857 CA ILE A 57 6.231 4.184 -5.015 1.00 0.00 C ATOM 858 C ILE A 57 6.681 3.421 -3.774 1.00 0.00 C ATOM 859 O ILE A 57 5.862 3.032 -2.939 1.00 0.00 O ATOM 860 CB ILE A 57 5.580 5.510 -4.580 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.533 6.489 -5.755 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.342 6.116 -3.411 1.00 0.00 C ATOM 863 CD1 ILE A 57 6.821 7.254 -5.958 1.00 0.00 C ATOM 0 H ILE A 57 4.580 2.923 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 57 7.098 4.402 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 57 4.559 5.307 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.300 5.939 -6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.721 7.198 -5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.870 7.053 -3.115 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.330 5.422 -2.570 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.373 6.308 -3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.714 7.928 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.046 7.832 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.634 6.554 -6.151 1.00 0.00 H new ATOM 875 N LEU A 58 7.987 3.210 -3.657 1.00 0.00 N ATOM 876 CA LEU A 58 8.548 2.494 -2.515 1.00 0.00 C ATOM 877 C LEU A 58 9.327 3.441 -1.608 1.00 0.00 C ATOM 878 O LEU A 58 10.491 3.746 -1.866 1.00 0.00 O ATOM 879 CB LEU A 58 9.459 1.363 -2.995 1.00 0.00 C ATOM 880 CG LEU A 58 9.007 -0.056 -2.649 1.00 0.00 C ATOM 881 CD1 LEU A 58 8.935 -0.241 -1.142 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.661 -0.357 -3.291 1.00 0.00 C ATOM 0 H LEU A 58 8.678 3.524 -4.338 1.00 0.00 H new ATOM 0 HA LEU A 58 7.723 2.069 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.557 1.438 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.452 1.519 -2.573 1.00 0.00 H new ATOM 0 HG LEU A 58 9.741 -0.758 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.612 -1.257 -0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.919 -0.068 -0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.222 0.469 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.354 -1.371 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.917 0.351 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.746 -0.267 -4.374 1.00 0.00 H new ATOM 894 N MET A 59 8.678 3.901 -0.544 1.00 0.00 N ATOM 895 CA MET A 59 9.312 4.811 0.404 1.00 0.00 C ATOM 896 C MET A 59 9.862 4.047 1.604 1.00 0.00 C ATOM 897 O MET A 59 9.127 3.336 2.290 1.00 0.00 O ATOM 898 CB MET A 59 8.313 5.870 0.872 1.00 0.00 C ATOM 899 CG MET A 59 7.662 6.639 -0.266 1.00 0.00 C ATOM 900 SD MET A 59 6.755 8.088 0.304 1.00 0.00 S ATOM 901 CE MET A 59 5.789 8.477 -1.155 1.00 0.00 C ATOM 0 H MET A 59 7.714 3.659 -0.316 1.00 0.00 H new ATOM 0 HA MET A 59 10.142 5.304 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.536 5.387 1.464 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.824 6.574 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.430 6.951 -0.974 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.982 5.978 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.096 9.287 -0.927 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.455 8.786 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.228 7.596 -1.466 1.00 0.00 H new ATOM 911 N ARG A 60 11.159 4.199 1.852 1.00 0.00 N ATOM 912 CA ARG A 60 11.807 3.524 2.969 1.00 0.00 C ATOM 913 C ARG A 60 11.626 4.314 4.262 1.00 0.00 C ATOM 914 O ARG A 60 11.816 3.784 5.357 1.00 0.00 O ATOM 915 CB ARG A 60 13.298 3.332 2.681 1.00 0.00 C ATOM 916 CG ARG A 60 14.082 4.632 2.638 1.00 0.00 C ATOM 917 CD ARG A 60 15.550 4.387 2.322 1.00 0.00 C ATOM 918 NE ARG A 60 16.148 5.505 1.597 1.00 0.00 N ATOM 919 CZ ARG A 60 17.433 5.566 1.271 1.00 0.00 C ATOM 920 NH1 ARG A 60 18.253 4.577 1.604 1.00 0.00 N ATOM 921 NH2 ARG A 60 17.903 6.616 0.610 1.00 0.00 N ATOM 0 H ARG A 60 11.781 4.784 1.294 1.00 0.00 H new ATOM 0 HA ARG A 60 11.338 2.548 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.727 2.684 3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.412 2.817 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.652 5.293 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.995 5.142 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 60 16.098 4.222 3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.646 3.477 1.729 1.00 0.00 H new ATOM 0 HE ARG A 60 15.545 6.282 1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 60 17.896 3.768 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 60 19.240 4.626 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.276 7.378 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.891 6.661 0.360 1.00 0.00 H new ATOM 935 N MET A 61 11.260 5.584 4.127 1.00 0.00 N ATOM 936 CA MET A 61 11.053 6.446 5.284 1.00 0.00 C ATOM 937 C MET A 61 10.359 5.688 6.411 1.00 0.00 C ATOM 938 O MET A 61 11.007 5.204 7.339 1.00 0.00 O ATOM 939 CB MET A 61 10.225 7.672 4.892 1.00 0.00 C ATOM 940 CG MET A 61 11.035 8.957 4.826 1.00 0.00 C ATOM 941 SD MET A 61 12.214 8.965 3.462 1.00 0.00 S ATOM 942 CE MET A 61 13.763 8.838 4.351 1.00 0.00 C ATOM 0 H MET A 61 11.101 6.039 3.228 1.00 0.00 H new ATOM 0 HA MET A 61 12.030 6.775 5.640 1.00 0.00 H new ATOM 0 HB2 MET A 61 9.763 7.493 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.416 7.799 5.611 1.00 0.00 H new ATOM 0 HG2 MET A 61 10.357 9.804 4.720 1.00 0.00 H new ATOM 0 HG3 MET A 61 11.571 9.093 5.765 1.00 0.00 H new ATOM 0 HE1 MET A 61 14.467 8.240 3.772 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.176 9.835 4.506 1.00 0.00 H new ATOM 0 HE3 MET A 61 13.591 8.362 5.316 1.00 0.00 H new ATOM 952 N LYS A 62 9.037 5.588 6.324 1.00 0.00 N ATOM 953 CA LYS A 62 8.253 4.888 7.334 1.00 0.00 C ATOM 954 C LYS A 62 7.749 3.551 6.801 1.00 0.00 C ATOM 955 O LYS A 62 6.704 3.057 7.225 1.00 0.00 O ATOM 956 CB LYS A 62 7.070 5.751 7.780 1.00 0.00 C ATOM 957 CG LYS A 62 7.483 7.042 8.465 1.00 0.00 C ATOM 958 CD LYS A 62 6.365 8.070 8.434 1.00 0.00 C ATOM 959 CE LYS A 62 6.657 9.239 9.364 1.00 0.00 C ATOM 960 NZ LYS A 62 6.822 10.515 8.615 1.00 0.00 N ATOM 0 H LYS A 62 8.485 5.984 5.563 1.00 0.00 H new ATOM 0 HA LYS A 62 8.898 4.697 8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.458 5.991 6.911 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.445 5.172 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.760 6.834 9.499 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.367 7.449 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.235 8.437 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.427 7.598 8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.845 9.343 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.563 9.032 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.020 11.287 9.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.613 10.425 7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.948 10.726 8.091 1.00 0.00 H new ATOM 974 N SER A 63 8.498 2.969 5.870 1.00 0.00 N ATOM 975 CA SER A 63 8.126 1.690 5.277 1.00 0.00 C ATOM 976 C SER A 63 6.766 1.784 4.593 1.00 0.00 C ATOM 977 O SER A 63 5.943 0.874 4.696 1.00 0.00 O ATOM 978 CB SER A 63 8.096 0.598 6.348 1.00 0.00 C ATOM 979 OG SER A 63 9.321 -0.113 6.387 1.00 0.00 O ATOM 0 H SER A 63 9.367 3.363 5.510 1.00 0.00 H new ATOM 0 HA SER A 63 8.874 1.434 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.901 1.046 7.323 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.278 -0.093 6.145 1.00 0.00 H new ATOM 0 HG SER A 63 9.141 -1.068 6.516 1.00 0.00 H new ATOM 985 N GLN A 64 6.537 2.891 3.894 1.00 0.00 N ATOM 986 CA GLN A 64 5.277 3.105 3.193 1.00 0.00 C ATOM 987 C GLN A 64 5.472 3.012 1.683 1.00 0.00 C ATOM 988 O GLN A 64 6.575 3.213 1.176 1.00 0.00 O ATOM 989 CB GLN A 64 4.690 4.469 3.560 1.00 0.00 C ATOM 990 CG GLN A 64 4.376 4.617 5.040 1.00 0.00 C ATOM 991 CD GLN A 64 3.451 5.783 5.326 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.604 5.714 6.217 1.00 0.00 O ATOM 993 NE2 GLN A 64 3.609 6.865 4.570 1.00 0.00 N ATOM 0 H GLN A 64 7.208 3.653 3.798 1.00 0.00 H new ATOM 0 HA GLN A 64 4.582 2.324 3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.393 5.249 3.266 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.778 4.629 2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.918 3.697 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.306 4.751 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.324 6.879 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.015 7.681 4.717 1.00 0.00 H new ATOM 1002 N ALA A 65 4.393 2.705 0.970 1.00 0.00 N ATOM 1003 CA ALA A 65 4.445 2.587 -0.482 1.00 0.00 C ATOM 1004 C ALA A 65 3.082 2.867 -1.105 1.00 0.00 C ATOM 1005 O ALA A 65 2.044 2.626 -0.487 1.00 0.00 O ATOM 1006 CB ALA A 65 4.936 1.203 -0.881 1.00 0.00 C ATOM 0 H ALA A 65 3.472 2.534 1.374 1.00 0.00 H new ATOM 0 HA ALA A 65 5.146 3.332 -0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.970 1.128 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.934 1.040 -0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.256 0.448 -0.487 1.00 0.00 H new ATOM 1012 N PHE A 66 3.090 3.376 -2.332 1.00 0.00 N ATOM 1013 CA PHE A 66 1.853 3.691 -3.038 1.00 0.00 C ATOM 1014 C PHE A 66 1.870 3.112 -4.450 1.00 0.00 C ATOM 1015 O PHE A 66 2.678 3.515 -5.287 1.00 0.00 O ATOM 1016 CB PHE A 66 1.647 5.205 -3.098 1.00 0.00 C ATOM 1017 CG PHE A 66 1.687 5.871 -1.753 1.00 0.00 C ATOM 1018 CD1 PHE A 66 2.898 6.156 -1.143 1.00 0.00 C ATOM 1019 CD2 PHE A 66 0.515 6.211 -1.098 1.00 0.00 C ATOM 1020 CE1 PHE A 66 2.937 6.768 0.097 1.00 0.00 C ATOM 1021 CE2 PHE A 66 0.548 6.823 0.141 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.761 7.102 0.738 1.00 0.00 C ATOM 0 H PHE A 66 3.939 3.579 -2.859 1.00 0.00 H new ATOM 0 HA PHE A 66 1.026 3.240 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.416 5.643 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.687 5.414 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.821 5.898 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.437 5.995 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.887 6.984 0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.373 7.082 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.790 7.581 1.706 1.00 0.00 H new ATOM 1032 N ILE A 67 0.975 2.164 -4.705 1.00 0.00 N ATOM 1033 CA ILE A 67 0.886 1.529 -6.014 1.00 0.00 C ATOM 1034 C ILE A 67 -0.375 1.966 -6.752 1.00 0.00 C ATOM 1035 O ILE A 67 -1.491 1.720 -6.293 1.00 0.00 O ATOM 1036 CB ILE A 67 0.894 -0.006 -5.896 1.00 0.00 C ATOM 1037 CG1 ILE A 67 2.082 -0.469 -5.051 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.939 -0.643 -7.277 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.969 -1.904 -4.584 1.00 0.00 C ATOM 0 H ILE A 67 0.301 1.818 -4.022 1.00 0.00 H new ATOM 0 HA ILE A 67 1.762 1.846 -6.579 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.024 -0.322 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.997 -0.356 -5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.174 0.181 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.944 -1.728 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.063 -0.335 -7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.842 -0.322 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.846 -2.164 -3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.072 -2.019 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.908 -2.564 -5.449 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.189 2.612 -7.898 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.313 3.082 -8.701 1.00 0.00 C ATOM 1053 C GLU A 68 -1.745 2.019 -9.706 1.00 0.00 C ATOM 1054 O GLU A 68 -1.080 1.800 -10.719 1.00 0.00 O ATOM 1055 CB GLU A 68 -0.941 4.372 -9.434 1.00 0.00 C ATOM 1056 CG GLU A 68 -1.985 4.823 -10.440 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.667 6.177 -11.046 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.908 6.943 -10.418 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.178 6.469 -12.147 1.00 0.00 O ATOM 0 H GLU A 68 0.728 2.822 -8.292 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.148 3.283 -8.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.788 5.165 -8.702 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.009 4.226 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.061 4.082 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.959 4.867 -9.952 1.00 0.00 H new ATOM 1066 N MET A 69 -2.863 1.360 -9.419 1.00 0.00 N ATOM 1067 CA MET A 69 -3.384 0.321 -10.298 1.00 0.00 C ATOM 1068 C MET A 69 -3.791 0.904 -11.648 1.00 0.00 C ATOM 1069 O MET A 69 -3.847 2.121 -11.816 1.00 0.00 O ATOM 1070 CB MET A 69 -4.584 -0.372 -9.648 1.00 0.00 C ATOM 1071 CG MET A 69 -4.275 -0.968 -8.284 1.00 0.00 C ATOM 1072 SD MET A 69 -4.790 -2.691 -8.146 1.00 0.00 S ATOM 1073 CE MET A 69 -3.594 -3.488 -9.215 1.00 0.00 C ATOM 0 H MET A 69 -3.425 1.528 -8.584 1.00 0.00 H new ATOM 0 HA MET A 69 -2.593 -0.411 -10.461 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.397 0.347 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.939 -1.163 -10.309 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.204 -0.897 -8.095 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.775 -0.381 -7.514 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.653 -4.569 -9.085 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.809 -3.235 -10.253 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.591 -3.146 -8.958 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.071 0.026 -12.607 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.469 0.455 -13.941 1.00 0.00 C ATOM 1085 C GLU A 70 -5.874 1.049 -13.925 1.00 0.00 C ATOM 1086 O GLU A 70 -6.132 2.083 -14.543 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.413 -0.722 -14.918 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.662 -0.327 -16.364 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.489 -1.352 -17.115 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -5.235 -2.562 -16.938 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.388 -0.945 -17.879 1.00 0.00 O ATOM 0 H GLU A 70 -4.029 -0.986 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.771 1.225 -14.270 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.435 -1.198 -14.844 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.153 -1.465 -14.621 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.172 0.636 -16.391 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.706 -0.196 -16.871 1.00 0.00 H new ATOM 1098 N THR A 71 -6.782 0.388 -13.214 1.00 0.00 N ATOM 1099 CA THR A 71 -8.161 0.849 -13.117 1.00 0.00 C ATOM 1100 C THR A 71 -8.651 0.821 -11.673 1.00 0.00 C ATOM 1101 O THR A 71 -8.004 0.242 -10.800 1.00 0.00 O ATOM 1102 CB THR A 71 -9.103 -0.011 -13.982 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.640 -1.085 -13.203 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.366 -0.571 -15.189 1.00 0.00 C ATOM 0 H THR A 71 -6.587 -0.469 -12.697 1.00 0.00 H new ATOM 0 HA THR A 71 -8.177 1.875 -13.484 1.00 0.00 H new ATOM 0 HB THR A 71 -9.917 0.622 -14.334 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.108 -1.714 -13.791 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.050 -1.175 -15.785 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.984 0.250 -15.795 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.535 -1.191 -14.852 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.796 1.450 -11.429 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.372 1.497 -10.091 1.00 0.00 C ATOM 1114 C ARG A 72 -10.801 0.106 -9.634 1.00 0.00 C ATOM 1115 O ARG A 72 -10.612 -0.264 -8.476 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.569 2.448 -10.060 1.00 0.00 C ATOM 1117 CG ARG A 72 -12.206 2.582 -8.686 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.305 4.037 -8.258 1.00 0.00 C ATOM 1119 NE ARG A 72 -13.472 4.282 -7.415 1.00 0.00 N ATOM 1120 CZ ARG A 72 -13.715 5.441 -6.812 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -12.875 6.456 -6.960 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -14.798 5.585 -6.060 1.00 0.00 N ATOM 0 H ARG A 72 -10.343 1.934 -12.141 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.607 1.865 -9.407 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.249 3.433 -10.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.320 2.096 -10.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.201 2.137 -8.700 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.619 2.026 -7.956 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.402 4.318 -7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.357 4.672 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.138 3.521 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.041 6.348 -7.537 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.063 7.345 -6.497 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.446 4.806 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.983 6.475 -5.598 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.383 -0.659 -10.553 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.842 -2.009 -10.244 1.00 0.00 C ATOM 1138 C GLU A 73 -10.780 -2.778 -9.463 1.00 0.00 C ATOM 1139 O GLU A 73 -11.087 -3.461 -8.486 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.189 -2.760 -11.530 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.662 -2.694 -11.895 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.347 -4.043 -11.806 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -13.661 -5.070 -11.998 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -15.568 -4.074 -11.546 1.00 0.00 O ATOM 0 H GLU A 73 -11.548 -0.367 -11.516 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.737 -1.929 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.601 -2.349 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.897 -3.804 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.165 -1.991 -11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.764 -2.305 -12.908 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.531 -2.663 -9.902 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.424 -3.346 -9.245 1.00 0.00 C ATOM 1153 C ASP A 74 -8.112 -2.705 -7.896 1.00 0.00 C ATOM 1154 O ASP A 74 -8.330 -3.307 -6.846 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.180 -3.321 -10.135 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.500 -3.631 -11.585 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.365 -4.498 -11.828 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.884 -3.008 -12.474 1.00 0.00 O ATOM 0 H ASP A 74 -9.261 -2.103 -10.710 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.719 -4.381 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.711 -2.339 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.456 -4.045 -9.763 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.599 -1.479 -7.934 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.258 -0.755 -6.715 1.00 0.00 C ATOM 1165 C ALA A 75 -8.266 -1.041 -5.608 1.00 0.00 C ATOM 1166 O ALA A 75 -7.893 -1.226 -4.449 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.184 0.739 -6.992 1.00 0.00 C ATOM 0 H ALA A 75 -7.411 -0.967 -8.796 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.280 -1.099 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.929 1.267 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.421 0.932 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.150 1.090 -7.356 1.00 0.00 H new ATOM 1173 N MET A 76 -9.544 -1.076 -5.971 1.00 0.00 N ATOM 1174 CA MET A 76 -10.605 -1.340 -5.006 1.00 0.00 C ATOM 1175 C MET A 76 -10.618 -2.810 -4.601 1.00 0.00 C ATOM 1176 O MET A 76 -10.746 -3.136 -3.421 1.00 0.00 O ATOM 1177 CB MET A 76 -11.964 -0.948 -5.590 1.00 0.00 C ATOM 1178 CG MET A 76 -12.035 0.499 -6.049 1.00 0.00 C ATOM 1179 SD MET A 76 -12.848 1.569 -4.847 1.00 0.00 S ATOM 1180 CE MET A 76 -11.758 2.990 -4.867 1.00 0.00 C ATOM 0 H MET A 76 -9.870 -0.925 -6.926 1.00 0.00 H new ATOM 0 HA MET A 76 -10.412 -0.738 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.189 -1.600 -6.434 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.736 -1.121 -4.840 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.026 0.867 -6.234 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.572 0.550 -6.996 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.239 3.064 -3.911 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.028 2.878 -5.669 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.343 3.895 -5.033 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.483 -3.692 -5.585 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.477 -5.127 -5.329 1.00 0.00 C ATOM 1192 C ALA A 77 -9.351 -5.510 -4.374 1.00 0.00 C ATOM 1193 O ALA A 77 -9.482 -6.451 -3.592 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.347 -5.896 -6.636 1.00 0.00 C ATOM 0 H ALA A 77 -10.376 -3.438 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.424 -5.391 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.344 -6.966 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.188 -5.654 -7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.416 -5.619 -7.130 1.00 0.00 H new ATOM 1200 N MET A 78 -8.246 -4.776 -4.444 1.00 0.00 N ATOM 1201 CA MET A 78 -7.099 -5.038 -3.584 1.00 0.00 C ATOM 1202 C MET A 78 -7.407 -4.667 -2.137 1.00 0.00 C ATOM 1203 O MET A 78 -7.323 -5.505 -1.238 1.00 0.00 O ATOM 1204 CB MET A 78 -5.878 -4.258 -4.074 1.00 0.00 C ATOM 1205 CG MET A 78 -4.560 -4.786 -3.531 1.00 0.00 C ATOM 1206 SD MET A 78 -3.129 -3.971 -4.265 1.00 0.00 S ATOM 1207 CE MET A 78 -1.861 -4.367 -3.063 1.00 0.00 C ATOM 0 H MET A 78 -8.121 -3.995 -5.088 1.00 0.00 H new ATOM 0 HA MET A 78 -6.881 -6.105 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.851 -4.289 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.986 -3.212 -3.787 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.536 -4.649 -2.450 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.498 -5.858 -3.718 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.526 -3.453 -2.572 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.267 -5.051 -2.318 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.017 -4.838 -3.566 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.763 -3.405 -1.918 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.084 -2.922 -0.580 1.00 0.00 C ATOM 1219 C VAL A 79 -9.222 -3.729 0.037 1.00 0.00 C ATOM 1220 O VAL A 79 -9.286 -3.901 1.255 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.479 -1.434 -0.599 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.403 -0.606 -1.287 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.825 -1.248 -1.283 1.00 0.00 C ATOM 0 H VAL A 79 -7.836 -2.699 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.185 -3.044 0.024 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.570 -1.087 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.699 0.443 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.461 -0.715 -0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.278 -0.952 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.088 -0.190 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.765 -1.611 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.588 -1.809 -0.744 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.116 -4.224 -0.811 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.252 -5.014 -0.351 1.00 0.00 C ATOM 1235 C ASP A 80 -10.792 -6.373 0.169 1.00 0.00 C ATOM 1236 O ASP A 80 -11.137 -6.774 1.281 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.262 -5.204 -1.482 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.654 -4.739 -1.100 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -13.969 -4.746 0.109 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.429 -4.371 -2.007 1.00 0.00 O ATOM 0 H ASP A 80 -10.076 -4.092 -1.822 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.731 -4.474 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.927 -4.653 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.298 -6.257 -1.760 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.012 -7.079 -0.643 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.505 -8.393 -0.266 1.00 0.00 C ATOM 1247 C HIS A 81 -8.783 -8.332 1.077 1.00 0.00 C ATOM 1248 O HIS A 81 -8.582 -9.356 1.732 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.559 -8.927 -1.342 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.509 -10.423 -1.408 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -7.362 -11.148 -1.165 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -9.474 -11.329 -1.689 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -7.623 -12.437 -1.295 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.898 -12.574 -1.612 1.00 0.00 N ATOM 0 H HIS A 81 -9.717 -6.763 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.355 -9.069 -0.172 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.870 -8.539 -2.312 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.555 -8.546 -1.153 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.505 -11.114 -1.929 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.914 -13.241 -1.164 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.377 -13.460 -1.773 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.396 -7.127 1.481 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.695 -6.933 2.745 1.00 0.00 C ATOM 1264 C CYS A 82 -8.682 -6.775 3.896 1.00 0.00 C ATOM 1265 O CYS A 82 -8.393 -7.149 5.033 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.787 -5.706 2.664 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.037 -5.237 4.241 1.00 0.00 S ATOM 0 H CYS A 82 -8.556 -6.270 0.952 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.085 -7.816 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.995 -5.901 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.365 -4.864 2.284 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.691 -5.796 5.216 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.850 -6.218 3.594 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.882 -6.008 4.604 1.00 0.00 C ATOM 1275 C LEU A 83 -11.425 -7.339 5.112 1.00 0.00 C ATOM 1276 O LEU A 83 -11.424 -7.606 6.314 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.022 -5.164 4.030 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.666 -3.726 3.648 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.534 -3.251 2.493 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.817 -2.803 4.847 1.00 0.00 C ATOM 0 H LEU A 83 -10.106 -5.904 2.658 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.432 -5.476 5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.411 -5.668 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.830 -5.135 4.761 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.625 -3.702 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.267 -2.226 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.375 -3.896 1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.583 -3.290 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.560 -1.784 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.848 -2.830 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.152 -3.132 5.645 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.890 -8.174 4.188 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.433 -9.480 4.540 1.00 0.00 C ATOM 1294 C LYS A 84 -11.341 -10.396 5.082 1.00 0.00 C ATOM 1295 O LYS A 84 -11.533 -11.083 6.087 1.00 0.00 O ATOM 1296 CB LYS A 84 -13.096 -10.126 3.320 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.210 -9.287 2.719 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.687 -8.355 1.639 1.00 0.00 C ATOM 1299 CE LYS A 84 -14.282 -8.687 0.280 1.00 0.00 C ATOM 1300 NZ LYS A 84 -13.377 -9.554 -0.525 1.00 0.00 N ATOM 0 H LYS A 84 -11.901 -7.969 3.189 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.181 -9.336 5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.338 -10.308 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.498 -11.097 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.973 -9.942 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.690 -8.702 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.926 -7.324 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.601 -8.428 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.240 -9.189 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.480 -7.764 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.819 -9.758 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.472 -9.065 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.208 -10.446 -0.017 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.193 -10.401 4.413 1.00 0.00 N ATOM 1315 CA LYS A 85 -9.068 -11.230 4.829 1.00 0.00 C ATOM 1316 C LYS A 85 -7.821 -10.382 5.054 1.00 0.00 C ATOM 1317 O LYS A 85 -7.614 -9.375 4.377 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.784 -12.305 3.778 1.00 0.00 C ATOM 1319 CG LYS A 85 -9.989 -13.172 3.454 1.00 0.00 C ATOM 1320 CD LYS A 85 -9.896 -14.531 4.129 1.00 0.00 C ATOM 1321 CE LYS A 85 -11.125 -15.380 3.843 1.00 0.00 C ATOM 1322 NZ LYS A 85 -10.919 -16.279 2.674 1.00 0.00 N ATOM 0 H LYS A 85 -10.017 -9.840 3.580 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.333 -11.712 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.436 -11.824 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.973 -12.942 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.899 -12.666 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.063 -13.305 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.004 -15.051 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.787 -14.397 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.366 -15.977 4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.980 -14.730 3.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.779 -16.841 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.714 -15.708 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.120 -16.917 2.863 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.992 -10.797 6.005 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.763 -10.077 6.316 1.00 0.00 C ATOM 1338 C ALA A 86 -4.700 -10.320 5.249 1.00 0.00 C ATOM 1339 O ALA A 86 -4.237 -11.446 5.065 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.243 -10.487 7.685 1.00 0.00 C ATOM 0 H ALA A 86 -7.149 -11.629 6.574 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.989 -9.011 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.325 -9.942 7.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.992 -10.256 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.039 -11.558 7.691 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.318 -9.257 4.549 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.309 -9.356 3.499 1.00 0.00 C ATOM 1348 C LEU A 87 -1.912 -9.480 4.097 1.00 0.00 C ATOM 1349 O LEU A 87 -1.415 -8.553 4.738 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.378 -8.131 2.584 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.881 -8.336 1.152 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.793 -7.625 0.164 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.448 -7.844 1.009 1.00 0.00 C ATOM 0 H LEU A 87 -4.691 -8.318 4.689 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.514 -10.252 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.413 -7.790 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.796 -7.329 3.038 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.901 -9.403 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.424 -7.782 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.803 -8.025 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.806 -6.558 0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.111 -7.998 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.402 -6.782 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.803 -8.399 1.690 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.283 -10.630 3.882 1.00 0.00 N ATOM 1366 CA TRP A 88 0.060 -10.875 4.398 1.00 0.00 C ATOM 1367 C TRP A 88 1.086 -10.865 3.271 1.00 0.00 C ATOM 1368 O TRP A 88 0.973 -11.625 2.309 1.00 0.00 O ATOM 1369 CB TRP A 88 0.108 -12.213 5.137 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.483 -12.154 6.513 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.732 -12.563 6.887 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.150 -11.654 7.696 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.912 -12.347 8.232 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.772 -11.792 8.752 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.406 -11.107 7.967 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.477 -11.401 10.054 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.699 -10.719 9.260 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.761 -10.868 10.291 1.00 0.00 C ATOM 0 H TRP A 88 -1.681 -11.407 3.354 1.00 0.00 H new ATOM 0 HA TRP A 88 0.307 -10.074 5.095 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.426 -12.962 4.552 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.144 -12.543 5.208 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.468 -12.992 6.224 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.758 -12.565 8.759 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.136 -10.989 7.179 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.199 -11.514 10.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.667 -10.294 9.480 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.020 -10.556 11.292 1.00 0.00 H new ATOM 1389 N PHE A 89 2.088 -10.000 3.396 1.00 0.00 N ATOM 1390 CA PHE A 89 3.134 -9.891 2.386 1.00 0.00 C ATOM 1391 C PHE A 89 4.473 -10.375 2.936 1.00 0.00 C ATOM 1392 O PHE A 89 4.984 -9.835 3.916 1.00 0.00 O ATOM 1393 CB PHE A 89 3.261 -8.444 1.906 1.00 0.00 C ATOM 1394 CG PHE A 89 4.576 -8.144 1.248 1.00 0.00 C ATOM 1395 CD1 PHE A 89 4.991 -8.862 0.137 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.399 -7.142 1.738 1.00 0.00 C ATOM 1397 CE1 PHE A 89 6.202 -8.588 -0.469 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.611 -6.863 1.135 1.00 0.00 C ATOM 1399 CZ PHE A 89 7.012 -7.587 0.030 1.00 0.00 C ATOM 0 H PHE A 89 2.197 -9.365 4.187 1.00 0.00 H new ATOM 0 HA PHE A 89 2.857 -10.523 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.455 -8.231 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.128 -7.775 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.361 -9.644 -0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.089 -6.572 2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.515 -9.156 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.243 -6.080 1.527 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.958 -7.371 -0.444 1.00 0.00 H new ATOM 1409 N GLN A 90 5.033 -11.397 2.298 1.00 0.00 N ATOM 1410 CA GLN A 90 6.311 -11.955 2.723 1.00 0.00 C ATOM 1411 C GLN A 90 6.320 -12.210 4.227 1.00 0.00 C ATOM 1412 O GLN A 90 7.380 -12.337 4.838 1.00 0.00 O ATOM 1413 CB GLN A 90 7.454 -11.010 2.347 1.00 0.00 C ATOM 1414 CG GLN A 90 7.552 -9.786 3.243 1.00 0.00 C ATOM 1415 CD GLN A 90 8.939 -9.177 3.250 1.00 0.00 C ATOM 1416 OE1 GLN A 90 9.523 -8.944 4.309 1.00 0.00 O ATOM 1417 NE2 GLN A 90 9.477 -8.915 2.064 1.00 0.00 N ATOM 0 H GLN A 90 4.622 -11.856 1.485 1.00 0.00 H new ATOM 0 HA GLN A 90 6.452 -12.907 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.396 -11.557 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.321 -10.685 1.315 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.833 -9.038 2.909 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.276 -10.062 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.958 -9.124 1.211 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.409 -8.505 2.006 1.00 0.00 H new ATOM 1426 N GLY A 91 5.131 -12.282 4.817 1.00 0.00 N ATOM 1427 CA GLY A 91 5.024 -12.521 6.245 1.00 0.00 C ATOM 1428 C GLY A 91 4.821 -11.242 7.032 1.00 0.00 C ATOM 1429 O GLY A 91 5.279 -11.126 8.170 1.00 0.00 O ATOM 0 H GLY A 91 4.240 -12.179 4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.191 -13.198 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.927 -13.020 6.596 1.00 0.00 H new ATOM 1433 N ARG A 92 4.134 -10.278 6.427 1.00 0.00 N ATOM 1434 CA ARG A 92 3.874 -9.000 7.079 1.00 0.00 C ATOM 1435 C ARG A 92 2.418 -8.583 6.895 1.00 0.00 C ATOM 1436 O ARG A 92 1.880 -8.639 5.788 1.00 0.00 O ATOM 1437 CB ARG A 92 4.801 -7.920 6.518 1.00 0.00 C ATOM 1438 CG ARG A 92 6.277 -8.261 6.639 1.00 0.00 C ATOM 1439 CD ARG A 92 6.920 -7.543 7.815 1.00 0.00 C ATOM 1440 NE ARG A 92 6.391 -8.007 9.094 1.00 0.00 N ATOM 1441 CZ ARG A 92 6.725 -7.473 10.265 1.00 0.00 C ATOM 1442 NH1 ARG A 92 7.582 -6.464 10.316 1.00 0.00 N ATOM 1443 NH2 ARG A 92 6.201 -7.951 11.386 1.00 0.00 N ATOM 0 H ARG A 92 3.748 -10.358 5.486 1.00 0.00 H new ATOM 0 HA ARG A 92 4.068 -9.117 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.560 -7.756 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.610 -6.982 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.394 -9.338 6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.792 -7.987 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.998 -7.700 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.752 -6.470 7.721 1.00 0.00 H new ATOM 0 HE ARG A 92 5.729 -8.783 9.089 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.987 -6.095 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.837 -6.056 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.542 -8.728 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.457 -7.541 12.284 1.00 0.00 H new ATOM 1457 N CYS A 93 1.786 -8.163 7.986 1.00 0.00 N ATOM 1458 CA CYS A 93 0.392 -7.737 7.945 1.00 0.00 C ATOM 1459 C CYS A 93 0.267 -6.340 7.346 1.00 0.00 C ATOM 1460 O CYS A 93 -0.368 -5.459 7.925 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.211 -7.758 9.350 1.00 0.00 C ATOM 1462 SG CYS A 93 0.556 -6.591 10.500 1.00 0.00 S ATOM 0 H CYS A 93 2.217 -8.109 8.909 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.156 -8.434 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.276 -7.536 9.280 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -0.121 -8.765 9.757 1.00 0.00 H new ATOM 0 HG CYS A 93 0.570 -5.404 9.969 1.00 0.00 H new ATOM 1468 N VAL A 94 0.879 -6.143 6.183 1.00 0.00 N ATOM 1469 CA VAL A 94 0.838 -4.854 5.505 1.00 0.00 C ATOM 1470 C VAL A 94 -0.598 -4.424 5.229 1.00 0.00 C ATOM 1471 O VAL A 94 -1.367 -5.153 4.603 1.00 0.00 O ATOM 1472 CB VAL A 94 1.615 -4.893 4.175 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.037 -5.952 3.250 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.600 -3.526 3.509 1.00 0.00 C ATOM 0 H VAL A 94 1.410 -6.861 5.690 1.00 0.00 H new ATOM 0 HA VAL A 94 1.309 -4.131 6.171 1.00 0.00 H new ATOM 0 HB VAL A 94 2.651 -5.157 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.598 -5.965 2.316 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.105 -6.929 3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.008 -5.722 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.153 -3.572 2.571 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.570 -3.230 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.066 -2.794 4.169 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.954 -3.234 5.700 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.298 -2.704 5.504 1.00 0.00 C ATOM 1486 C LYS A 95 -2.428 -2.042 4.136 1.00 0.00 C ATOM 1487 O LYS A 95 -1.732 -1.071 3.836 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.637 -1.695 6.604 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.957 -1.973 7.300 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.786 -2.063 8.807 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.949 -0.705 9.469 1.00 0.00 C ATOM 1492 NZ LYS A 95 -2.962 -0.499 10.565 1.00 0.00 N ATOM 0 H LYS A 95 -0.330 -2.618 6.221 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.000 -3.536 5.554 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.838 -1.697 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.668 -0.695 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.669 -1.183 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.378 -2.906 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.519 -2.759 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.800 -2.466 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.831 0.080 8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.959 -0.615 9.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.107 0.439 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.091 -1.232 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.998 -0.559 10.180 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.323 -2.573 3.309 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.546 -2.032 1.973 1.00 0.00 C ATOM 1508 C VAL A 96 -4.897 -1.333 1.882 1.00 0.00 C ATOM 1509 O VAL A 96 -5.943 -1.981 1.862 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.479 -3.137 0.902 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.231 -4.376 1.365 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.032 -2.630 -0.421 1.00 0.00 C ATOM 0 H VAL A 96 -3.906 -3.378 3.541 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.752 -1.308 1.788 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.435 -3.411 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.173 -5.146 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.784 -4.750 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.275 -4.122 1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.977 -3.423 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.071 -2.327 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.445 -1.775 -0.757 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.867 -0.006 1.827 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.090 0.784 1.736 1.00 0.00 C ATOM 1524 C ASP A 97 -5.941 1.899 0.705 1.00 0.00 C ATOM 1525 O ASP A 97 -4.872 2.494 0.569 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.441 1.378 3.101 1.00 0.00 C ATOM 1527 CG ASP A 97 -6.954 0.333 4.072 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -6.183 -0.587 4.415 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -8.127 0.436 4.489 1.00 0.00 O ATOM 0 H ASP A 97 -4.009 0.546 1.844 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.897 0.124 1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.558 1.859 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.197 2.153 2.973 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.020 2.175 -0.018 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.011 3.218 -1.039 1.00 0.00 C ATOM 1536 C LEU A 98 -6.840 4.596 -0.407 1.00 0.00 C ATOM 1537 O LEU A 98 -7.546 4.948 0.539 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.304 3.173 -1.853 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.148 2.889 -3.348 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.724 1.524 -3.694 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -8.820 3.978 -4.172 1.00 0.00 C ATOM 0 H LEU A 98 -7.913 1.692 0.083 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.166 3.036 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.953 2.409 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.816 4.128 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.085 2.884 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.604 1.339 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.198 0.754 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.783 1.501 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.699 3.759 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.882 4.016 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.362 4.941 -3.946 1.00 0.00 H new ATOM 1553 N SER A 99 -5.902 5.373 -0.939 1.00 0.00 N ATOM 1554 CA SER A 99 -5.638 6.712 -0.426 1.00 0.00 C ATOM 1555 C SER A 99 -6.532 7.741 -1.111 1.00 0.00 C ATOM 1556 O SER A 99 -7.031 7.511 -2.213 1.00 0.00 O ATOM 1557 CB SER A 99 -4.168 7.079 -0.633 1.00 0.00 C ATOM 1558 OG SER A 99 -3.709 7.943 0.392 1.00 0.00 O ATOM 0 H SER A 99 -5.312 5.098 -1.725 1.00 0.00 H new ATOM 0 HA SER A 99 -5.859 6.716 0.641 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.562 6.173 -0.648 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.043 7.561 -1.602 1.00 0.00 H new ATOM 0 HG SER A 99 -3.082 8.594 0.014 1.00 0.00 H new ATOM 1564 N GLU A 100 -6.729 8.877 -0.450 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.564 9.943 -0.995 1.00 0.00 C ATOM 1566 C GLU A 100 -6.711 11.005 -1.681 1.00 0.00 C ATOM 1567 O GLU A 100 -7.070 11.517 -2.741 1.00 0.00 O ATOM 1568 CB GLU A 100 -8.400 10.583 0.116 1.00 0.00 C ATOM 1569 CG GLU A 100 -9.575 11.396 -0.400 1.00 0.00 C ATOM 1570 CD GLU A 100 -9.870 12.607 0.462 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -10.287 12.421 1.625 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -9.686 13.742 -0.026 1.00 0.00 O ATOM 0 H GLU A 100 -6.323 9.084 0.463 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.232 9.504 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.773 9.800 0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.758 11.228 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.367 11.722 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.460 10.761 -0.443 1.00 0.00 H new ATOM 1579 N LYS A 101 -5.578 11.333 -1.068 1.00 0.00 N ATOM 1580 CA LYS A 101 -4.672 12.333 -1.618 1.00 0.00 C ATOM 1581 C LYS A 101 -3.819 11.740 -2.735 1.00 0.00 C ATOM 1582 O LYS A 101 -4.022 10.596 -3.142 1.00 0.00 O ATOM 1583 CB LYS A 101 -3.769 12.895 -0.517 1.00 0.00 C ATOM 1584 CG LYS A 101 -3.019 11.825 0.258 1.00 0.00 C ATOM 1585 CD LYS A 101 -3.271 11.940 1.752 1.00 0.00 C ATOM 1586 CE LYS A 101 -2.781 10.708 2.497 1.00 0.00 C ATOM 1587 NZ LYS A 101 -3.410 10.584 3.840 1.00 0.00 N ATOM 0 H LYS A 101 -5.266 10.920 -0.189 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.274 13.141 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.049 13.581 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.375 13.477 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.328 10.839 -0.089 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.951 11.913 0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.767 12.825 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.337 12.075 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.002 9.817 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.698 10.757 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.049 9.732 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.179 11.422 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.442 10.511 3.735 1.00 0.00 H new ATOM 1601 N TYR A 102 -2.865 12.524 -3.225 1.00 0.00 N ATOM 1602 CA TYR A 102 -1.983 12.076 -4.295 1.00 0.00 C ATOM 1603 C TYR A 102 -2.741 11.963 -5.615 1.00 0.00 C ATOM 1604 O TYR A 102 -2.511 12.736 -6.546 1.00 0.00 O ATOM 1605 CB TYR A 102 -1.357 10.728 -3.938 1.00 0.00 C ATOM 1606 CG TYR A 102 -0.904 10.633 -2.498 1.00 0.00 C ATOM 1607 CD1 TYR A 102 0.025 11.527 -1.980 1.00 0.00 C ATOM 1608 CD2 TYR A 102 -1.409 9.650 -1.655 1.00 0.00 C ATOM 1609 CE1 TYR A 102 0.441 11.443 -0.666 1.00 0.00 C ATOM 1610 CE2 TYR A 102 -1.000 9.561 -0.338 1.00 0.00 C ATOM 1611 CZ TYR A 102 -0.075 10.459 0.152 1.00 0.00 C ATOM 1612 OH TYR A 102 0.336 10.374 1.462 1.00 0.00 O ATOM 0 H TYR A 102 -2.683 13.473 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.192 12.817 -4.413 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.081 9.937 -4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.503 10.549 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.429 12.301 -2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.133 8.944 -2.035 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.167 12.144 -0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.403 8.792 0.304 1.00 0.00 H new ATOM 0 HH TYR A 102 0.574 11.267 1.789 1.00 0.00 H new ATOM 1622 N LYS A 103 -3.647 10.993 -5.688 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.442 10.778 -6.891 1.00 0.00 C ATOM 1624 C LYS A 103 -3.645 10.009 -7.940 1.00 0.00 C ATOM 1625 O LYS A 103 -4.058 8.941 -8.390 1.00 0.00 O ATOM 1626 CB LYS A 103 -4.906 12.118 -7.468 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.389 12.157 -7.796 1.00 0.00 C ATOM 1628 CD LYS A 103 -6.940 13.572 -7.713 1.00 0.00 C ATOM 1629 CE LYS A 103 -7.116 14.017 -6.269 1.00 0.00 C ATOM 1630 NZ LYS A 103 -5.868 14.610 -5.714 1.00 0.00 N ATOM 0 H LYS A 103 -3.849 10.343 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.315 10.186 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.679 12.910 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.336 12.332 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.552 11.760 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.933 11.512 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.265 14.257 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.899 13.621 -8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.922 14.748 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.414 13.164 -5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.105 15.444 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.384 13.907 -5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.241 14.893 -6.494 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.498 10.559 -8.324 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.639 9.924 -9.317 1.00 0.00 C ATOM 1646 C LYS A 104 -0.168 10.094 -8.953 1.00 0.00 C ATOM 1647 O LYS A 104 0.244 11.147 -8.465 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.905 10.516 -10.703 1.00 0.00 C ATOM 1649 CG LYS A 104 -1.638 12.009 -10.788 1.00 0.00 C ATOM 1650 CD LYS A 104 -2.234 12.612 -12.049 1.00 0.00 C ATOM 1651 CE LYS A 104 -2.383 14.121 -11.928 1.00 0.00 C ATOM 1652 NZ LYS A 104 -1.967 14.820 -13.175 1.00 0.00 N ATOM 0 H LYS A 104 -2.141 11.444 -7.962 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.869 8.859 -9.333 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.282 10.002 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.942 10.325 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.058 12.505 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.563 12.189 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.599 12.375 -12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.208 12.163 -12.243 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.421 14.367 -11.703 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.782 14.480 -11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.083 15.846 -13.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.969 14.606 -13.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.557 14.497 -13.968 1.00 0.00 H new ATOM 1666 N LEU A 105 0.621 9.052 -9.195 1.00 0.00 N ATOM 1667 CA LEU A 105 2.048 9.087 -8.895 1.00 0.00 C ATOM 1668 C LEU A 105 2.847 9.570 -10.101 1.00 0.00 C ATOM 1669 O LEU A 105 2.843 8.934 -11.155 1.00 0.00 O ATOM 1670 CB LEU A 105 2.533 7.700 -8.468 1.00 0.00 C ATOM 1671 CG LEU A 105 1.725 7.016 -7.364 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.232 5.602 -7.130 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.786 7.827 -6.078 1.00 0.00 C ATOM 0 H LEU A 105 0.296 8.173 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 105 2.205 9.788 -8.075 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.534 7.052 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.567 7.786 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 105 0.685 6.958 -7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.645 5.131 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.135 5.024 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.280 5.636 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.206 7.325 -5.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.823 7.917 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.373 8.820 -6.254 1.00 0.00 H new ATOM 1685 N VAL A 106 3.534 10.695 -9.938 1.00 0.00 N ATOM 1686 CA VAL A 106 4.341 11.261 -11.011 1.00 0.00 C ATOM 1687 C VAL A 106 5.367 12.249 -10.466 1.00 0.00 C ATOM 1688 O VAL A 106 6.522 12.259 -10.892 1.00 0.00 O ATOM 1689 CB VAL A 106 3.464 11.974 -12.057 1.00 0.00 C ATOM 1690 CG1 VAL A 106 2.623 13.057 -11.400 1.00 0.00 C ATOM 1691 CG2 VAL A 106 4.325 12.556 -13.168 1.00 0.00 C ATOM 0 H VAL A 106 3.548 11.233 -9.072 1.00 0.00 H new ATOM 0 HA VAL A 106 4.860 10.430 -11.488 1.00 0.00 H new ATOM 0 HB VAL A 106 2.789 11.241 -12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.010 13.550 -12.155 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.978 12.608 -10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.278 13.790 -10.929 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.688 13.056 -13.898 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.027 13.275 -12.746 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.878 11.754 -13.658 1.00 0.00 H new ATOM 1701 N SER A 107 4.937 13.079 -9.522 1.00 0.00 N ATOM 1702 CA SER A 107 5.816 14.075 -8.920 1.00 0.00 C ATOM 1703 C SER A 107 6.020 15.259 -9.861 1.00 0.00 C ATOM 1704 O SER A 107 5.735 15.174 -11.055 1.00 0.00 O ATOM 1705 CB SER A 107 7.167 13.447 -8.570 1.00 0.00 C ATOM 1706 OG SER A 107 7.650 13.937 -7.332 1.00 0.00 O ATOM 0 H SER A 107 3.985 13.082 -9.157 1.00 0.00 H new ATOM 0 HA SER A 107 5.344 14.437 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.066 12.363 -8.521 1.00 0.00 H new ATOM 0 HB3 SER A 107 7.888 13.665 -9.358 1.00 0.00 H new ATOM 0 HG SER A 107 8.513 13.520 -7.129 1.00 0.00 H new ATOM 1712 N GLY A 108 6.518 16.363 -9.313 1.00 0.00 N ATOM 1713 CA GLY A 108 6.753 17.549 -10.115 1.00 0.00 C ATOM 1714 C GLY A 108 6.738 18.820 -9.291 1.00 0.00 C ATOM 1715 O GLY A 108 6.770 18.787 -8.060 1.00 0.00 O ATOM 0 H GLY A 108 6.763 16.457 -8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.715 17.458 -10.619 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.991 17.615 -10.892 1.00 0.00 H new ATOM 1719 N PRO A 109 6.691 19.973 -9.974 1.00 0.00 N ATOM 1720 CA PRO A 109 6.674 21.284 -9.315 1.00 0.00 C ATOM 1721 C PRO A 109 5.361 21.548 -8.587 1.00 0.00 C ATOM 1722 O PRO A 109 4.315 21.014 -8.957 1.00 0.00 O ATOM 1723 CB PRO A 109 6.849 22.266 -10.476 1.00 0.00 C ATOM 1724 CG PRO A 109 6.331 21.539 -11.669 1.00 0.00 C ATOM 1725 CD PRO A 109 6.651 20.088 -11.441 1.00 0.00 C ATOM 0 HA PRO A 109 7.445 21.367 -8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.294 23.188 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.895 22.544 -10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.257 21.689 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 109 6.801 21.903 -12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.892 19.436 -11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 109 7.604 19.811 -11.892 1.00 0.00 H new ATOM 1733 N SER A 110 5.422 22.376 -7.548 1.00 0.00 N ATOM 1734 CA SER A 110 4.238 22.708 -6.765 1.00 0.00 C ATOM 1735 C SER A 110 3.108 23.192 -7.668 1.00 0.00 C ATOM 1736 O SER A 110 3.331 23.968 -8.598 1.00 0.00 O ATOM 1737 CB SER A 110 4.573 23.782 -5.727 1.00 0.00 C ATOM 1738 OG SER A 110 4.931 23.197 -4.487 1.00 0.00 O ATOM 0 H SER A 110 6.279 22.829 -7.230 1.00 0.00 H new ATOM 0 HA SER A 110 3.907 21.806 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 110 5.393 24.401 -6.091 1.00 0.00 H new ATOM 0 HB3 SER A 110 3.714 24.439 -5.589 1.00 0.00 H new ATOM 0 HG SER A 110 5.142 23.903 -3.841 1.00 0.00 H new ATOM 1744 N SER A 111 1.894 22.730 -7.387 1.00 0.00 N ATOM 1745 CA SER A 111 0.729 23.112 -8.175 1.00 0.00 C ATOM 1746 C SER A 111 -0.541 22.490 -7.603 1.00 0.00 C ATOM 1747 O SER A 111 -1.500 23.192 -7.283 1.00 0.00 O ATOM 1748 CB SER A 111 0.909 22.683 -9.632 1.00 0.00 C ATOM 1749 OG SER A 111 -0.284 22.874 -10.371 1.00 0.00 O ATOM 0 H SER A 111 1.692 22.090 -6.619 1.00 0.00 H new ATOM 0 HA SER A 111 0.633 24.197 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.717 23.256 -10.086 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.201 21.634 -9.672 1.00 0.00 H new ATOM 0 HG SER A 111 -0.142 22.594 -11.299 1.00 0.00 H new ATOM 1755 N GLY A 112 -0.540 21.166 -7.479 1.00 0.00 N ATOM 1756 CA GLY A 112 -1.698 20.471 -6.945 1.00 0.00 C ATOM 1757 C GLY A 112 -1.323 19.187 -6.230 1.00 0.00 C ATOM 1758 O GLY A 112 -0.143 18.874 -6.080 1.00 0.00 O ATOM 0 H GLY A 112 0.241 20.563 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.226 21.128 -6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.388 20.243 -7.757 1.00 0.00 H new TER 1762 GLY A 112