USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1112 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 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 148 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN : amide:sc= -1.13 X(o=-1.5,f=-2!) USER MOD Set 2.2: A 66 LYS NZ :NH3+ 179:sc= -0.352 (180deg=-0.247) USER MOD Single : A 3 THR OG1 : rot -168:sc= -0.352 USER MOD Single : A 10 MET CE :methyl -152:sc= 0 (180deg=-0.106) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.0015) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.107 USER MOD Single : A 31 ASN : amide:sc=-0.00808 X(o=-0.0081,f=-0.16) USER MOD Single : A 32 ASN : amide:sc= -1.25! K(o=-1.3!,f=-0.0057) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.025) USER MOD Single : A 37 ASN : amide:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 46 THR OG1 : rot -66:sc= 0.254 USER MOD Single : A 52 THR OG1 : rot 134:sc= 0.864 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 160:sc= -0.761 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.116 K(o=0.12,f=-2.1) USER MOD Single : A 80 ASN : amide:sc= -5.73! K(o=-5.7!,f=-0.46) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 CYS SG : rot -41:sc= 1.2 USER MOD Single : A 93 GLN : amide:sc= -2.74 X(o=-2.7,f=-3.1!) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 169:sc= -0.29 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -34:sc= 1 USER MOD Single : A 110 GLN : amide:sc= -2.48 K(o=-2.5,f=-0.69) USER MOD Single : A 111 SER OG : rot 71:sc= 0.744 USER MOD Single : A 123 ASN : amide:sc= -1.66! K(o=-1.7!,f=-2.6) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 ASN : amide:sc= -0.0291 K(o=-0.029,f=-3.6!) USER MOD Single : A 134 LYS NZ :NH3+ -166:sc= -0.0395 (180deg=-0.282) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 166:sc= -0.0575 (180deg=-0.32) USER MOD Single : A 142 SER OG : rot -15:sc= 0.355 USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.742 3.704 6.738 0.79 0.00 N ATOM 32 CA THR A 3 -23.974 4.773 6.114 0.36 0.00 C ATOM 33 C THR A 3 -23.773 4.479 4.624 0.37 0.00 C ATOM 34 O THR A 3 -23.994 3.353 4.178 0.83 0.00 O ATOM 35 CB THR A 3 -22.610 4.950 6.827 1.00 0.00 C ATOM 36 OG1 THR A 3 -22.289 6.340 6.948 0.63 0.00 O ATOM 37 CG2 THR A 3 -21.490 4.236 6.085 1.00 0.00 C ATOM 0 HA THR A 3 -24.530 5.705 6.211 0.36 0.00 H new ATOM 0 HB THR A 3 -22.702 4.505 7.818 1.00 0.00 H new ATOM 0 HG1 THR A 3 -21.353 6.437 7.221 0.63 0.00 H new ATOM 0 HG21 THR A 3 -20.550 4.384 6.616 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.712 3.170 6.030 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.405 4.642 5.077 1.00 0.00 H new ATOM 45 N PRO A 4 -23.354 5.483 3.834 0.28 0.00 N ATOM 46 CA PRO A 4 -23.140 5.313 2.405 0.25 0.00 C ATOM 47 C PRO A 4 -21.805 4.647 2.106 1.00 0.00 C ATOM 48 O PRO A 4 -21.679 3.885 1.148 1.00 0.00 O ATOM 49 CB PRO A 4 -23.165 6.741 1.847 0.12 0.00 C ATOM 50 CG PRO A 4 -23.130 7.668 3.026 0.27 0.00 C ATOM 51 CD PRO A 4 -23.029 6.840 4.275 1.00 0.00 C ATOM 0 HA PRO A 4 -23.896 4.667 1.959 0.25 0.00 H new ATOM 0 HB2 PRO A 4 -22.311 6.915 1.193 0.12 0.00 H new ATOM 0 HB3 PRO A 4 -24.062 6.907 1.251 0.12 0.00 H new ATOM 0 HG2 PRO A 4 -22.280 8.346 2.950 0.27 0.00 H new ATOM 0 HG3 PRO A 4 -24.029 8.285 3.051 0.27 0.00 H new ATOM 0 HD2 PRO A 4 -22.029 6.890 4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -23.723 7.187 5.040 1.00 0.00 H new ATOM 59 N ALA A 5 -20.813 4.940 2.937 0.31 0.00 N ATOM 60 CA ALA A 5 -19.487 4.367 2.772 1.00 0.00 C ATOM 61 C ALA A 5 -19.546 2.843 2.851 0.24 0.00 C ATOM 62 O ALA A 5 -18.793 2.146 2.174 0.16 0.00 O ATOM 63 CB ALA A 5 -18.537 4.918 3.824 1.00 0.00 C ATOM 0 H ALA A 5 -20.904 5.572 3.732 0.31 0.00 H new ATOM 0 HA ALA A 5 -19.112 4.645 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -17.549 4.479 3.687 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.471 6.001 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.910 4.669 4.817 1.00 0.00 H new ATOM 69 N ARG A 6 -20.452 2.340 3.686 1.00 0.00 N ATOM 70 CA ARG A 6 -20.624 0.902 3.864 0.21 0.00 C ATOM 71 C ARG A 6 -21.218 0.267 2.611 0.76 0.00 C ATOM 72 O ARG A 6 -20.783 -0.802 2.178 1.00 0.00 O ATOM 73 CB ARG A 6 -21.532 0.621 5.067 1.00 0.00 C ATOM 74 CG ARG A 6 -21.652 -0.856 5.403 0.46 0.00 C ATOM 75 CD ARG A 6 -22.714 -1.102 6.461 0.08 0.00 C ATOM 76 NE ARG A 6 -24.049 -0.742 5.987 0.85 0.00 N ATOM 77 CZ ARG A 6 -25.173 -1.102 6.601 0.09 0.00 C ATOM 78 NH1 ARG A 6 -25.126 -1.826 7.712 0.08 0.00 N ATOM 79 NH2 ARG A 6 -26.345 -0.736 6.102 0.06 0.00 N ATOM 0 H ARG A 6 -21.080 2.910 4.252 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.643 0.464 4.045 0.21 0.00 H new ATOM 0 HB2 ARG A 6 -21.145 1.153 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -22.525 1.021 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.899 -1.416 4.501 0.46 0.00 H new ATOM 0 HG3 ARG A 6 -20.691 -1.229 5.757 0.46 0.00 H new ATOM 0 HD2 ARG A 6 -22.702 -2.153 6.750 0.08 0.00 H new ATOM 0 HD3 ARG A 6 -22.478 -0.524 7.354 0.08 0.00 H new ATOM 0 HE ARG A 6 -24.123 -0.183 5.137 0.85 0.00 H new ATOM 0 HH11 ARG A 6 -24.226 -2.109 8.099 0.08 0.00 H new ATOM 0 HH12 ARG A 6 -25.990 -2.100 8.179 0.08 0.00 H new ATOM 0 HH21 ARG A 6 -26.384 -0.179 5.248 0.06 0.00 H new ATOM 0 HH22 ARG A 6 -27.208 -1.011 6.572 0.06 0.00 H new ATOM 93 N ARG A 7 -22.212 0.934 2.034 0.24 0.00 N ATOM 94 CA ARG A 7 -22.871 0.441 0.828 0.44 0.00 C ATOM 95 C ARG A 7 -21.899 0.391 -0.346 1.00 0.00 C ATOM 96 O ARG A 7 -22.013 -0.467 -1.221 1.00 0.00 O ATOM 97 CB ARG A 7 -24.069 1.331 0.478 0.08 0.00 C ATOM 98 CG ARG A 7 -24.809 0.892 -0.774 1.00 0.00 C ATOM 99 CD ARG A 7 -25.923 1.864 -1.131 0.14 0.00 C ATOM 100 NE ARG A 7 -26.970 1.897 -0.113 0.20 0.00 N ATOM 101 CZ ARG A 7 -27.958 2.788 -0.096 0.05 0.00 C ATOM 102 NH1 ARG A 7 -28.023 3.730 -1.030 0.27 0.00 N ATOM 103 NH2 ARG A 7 -28.882 2.739 0.853 0.13 0.00 N ATOM 0 H ARG A 7 -22.580 1.819 2.382 0.24 0.00 H new ATOM 0 HA ARG A 7 -23.222 -0.572 1.025 0.44 0.00 H new ATOM 0 HB2 ARG A 7 -24.764 1.336 1.317 0.08 0.00 H new ATOM 0 HB3 ARG A 7 -23.723 2.356 0.344 0.08 0.00 H new ATOM 0 HG2 ARG A 7 -24.108 0.819 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -25.227 -0.103 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -25.506 2.863 -1.254 0.14 0.00 H new ATOM 0 HD3 ARG A 7 -26.358 1.580 -2.089 0.14 0.00 H new ATOM 0 HE ARG A 7 -26.942 1.196 0.628 0.20 0.00 H new ATOM 0 HH11 ARG A 7 -27.314 3.772 -1.763 0.27 0.00 H new ATOM 0 HH12 ARG A 7 -28.781 4.412 -1.015 0.27 0.00 H new ATOM 0 HH21 ARG A 7 -28.837 2.017 1.572 0.13 0.00 H new ATOM 0 HH22 ARG A 7 -29.638 3.423 0.864 0.13 0.00 H new ATOM 117 N ARG A 8 -20.943 1.316 -0.358 0.97 0.00 N ATOM 118 CA ARG A 8 -19.954 1.376 -1.430 0.30 0.00 C ATOM 119 C ARG A 8 -18.965 0.218 -1.332 1.00 0.00 C ATOM 120 O ARG A 8 -18.609 -0.391 -2.342 0.32 0.00 O ATOM 121 CB ARG A 8 -19.203 2.709 -1.381 0.61 0.00 C ATOM 122 CG ARG A 8 -20.088 3.920 -1.628 0.08 0.00 C ATOM 123 CD ARG A 8 -20.625 3.943 -3.051 0.43 0.00 C ATOM 124 NE ARG A 8 -19.550 4.003 -4.038 0.28 0.00 N ATOM 125 CZ ARG A 8 -19.737 3.820 -5.341 1.00 0.00 C ATOM 126 NH1 ARG A 8 -20.951 3.562 -5.810 1.00 0.00 N ATOM 127 NH2 ARG A 8 -18.711 3.895 -6.179 1.00 0.00 N ATOM 0 H ARG A 8 -20.832 2.032 0.360 0.97 0.00 H new ATOM 0 HA ARG A 8 -20.482 1.295 -2.380 0.30 0.00 H new ATOM 0 HB2 ARG A 8 -18.726 2.811 -0.406 0.61 0.00 H new ATOM 0 HB3 ARG A 8 -18.407 2.695 -2.125 0.61 0.00 H new ATOM 0 HG2 ARG A 8 -20.921 3.912 -0.925 0.08 0.00 H new ATOM 0 HG3 ARG A 8 -19.520 4.831 -1.439 0.08 0.00 H new ATOM 0 HD2 ARG A 8 -21.229 3.052 -3.226 0.43 0.00 H new ATOM 0 HD3 ARG A 8 -21.282 4.803 -3.177 0.43 0.00 H new ATOM 0 HE ARG A 8 -18.604 4.196 -3.709 0.28 0.00 H new ATOM 0 HH11 ARG A 8 -21.743 3.504 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -21.092 3.422 -6.810 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.776 4.094 -5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.858 3.754 -7.179 1.00 0.00 H new ATOM 141 N LEU A 9 -18.525 -0.081 -0.111 0.65 0.00 N ATOM 142 CA LEU A 9 -17.575 -1.167 0.119 0.90 0.00 C ATOM 143 C LEU A 9 -18.071 -2.471 -0.498 1.00 0.00 C ATOM 144 O LEU A 9 -17.305 -3.200 -1.127 1.00 0.00 O ATOM 145 CB LEU A 9 -17.338 -1.359 1.617 1.00 0.00 C ATOM 146 CG LEU A 9 -16.568 -0.233 2.307 0.08 0.00 C ATOM 147 CD1 LEU A 9 -16.572 -0.433 3.814 0.49 0.00 C ATOM 148 CD2 LEU A 9 -15.141 -0.162 1.783 0.99 0.00 C ATOM 0 H LEU A 9 -18.811 0.414 0.734 0.65 0.00 H new ATOM 0 HA LEU A 9 -16.635 -0.895 -0.360 0.90 0.00 H new ATOM 0 HB2 LEU A 9 -18.304 -1.471 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.795 -2.292 1.765 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.064 0.711 2.082 0.08 0.00 H new ATOM 0 HD11 LEU A 9 -16.020 0.377 4.290 0.49 0.00 H new ATOM 0 HD12 LEU A 9 -17.599 -0.435 4.178 0.49 0.00 H new ATOM 0 HD13 LEU A 9 -16.100 -1.385 4.056 0.49 0.00 H new ATOM 0 HD21 LEU A 9 -14.609 0.645 2.286 0.99 0.00 H new ATOM 0 HD22 LEU A 9 -14.634 -1.107 1.978 0.99 0.00 H new ATOM 0 HD23 LEU A 9 -15.157 0.027 0.710 0.99 0.00 H new ATOM 160 N MET A 10 -19.356 -2.757 -0.313 0.40 0.00 N ATOM 161 CA MET A 10 -19.952 -3.972 -0.857 0.60 0.00 C ATOM 162 C MET A 10 -19.889 -3.969 -2.380 0.10 0.00 C ATOM 163 O MET A 10 -19.776 -5.021 -3.009 0.14 0.00 O ATOM 164 CB MET A 10 -21.404 -4.106 -0.391 1.00 0.00 C ATOM 165 CG MET A 10 -21.556 -4.144 1.121 0.34 0.00 C ATOM 166 SD MET A 10 -23.275 -4.295 1.643 1.00 0.00 S ATOM 167 CE MET A 10 -23.092 -4.309 3.425 0.41 0.00 C ATOM 0 H MET A 10 -20.003 -2.165 0.208 0.40 0.00 H new ATOM 0 HA MET A 10 -19.383 -4.826 -0.490 0.60 0.00 H new ATOM 0 HB2 MET A 10 -21.982 -3.270 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 10 -21.830 -5.016 -0.814 1.00 0.00 H new ATOM 0 HG2 MET A 10 -20.985 -4.983 1.519 0.34 0.00 H new ATOM 0 HG3 MET A 10 -21.129 -3.237 1.548 0.34 0.00 H new ATOM 0 HE1 MET A 10 -23.914 -4.869 3.871 0.41 0.00 H new ATOM 0 HE2 MET A 10 -22.146 -4.781 3.690 0.41 0.00 H new ATOM 0 HE3 MET A 10 -23.104 -3.286 3.800 0.41 0.00 H new ATOM 177 N ARG A 11 -19.961 -2.777 -2.965 1.00 0.00 N ATOM 178 CA ARG A 11 -19.908 -2.631 -4.415 0.16 0.00 C ATOM 179 C ARG A 11 -18.486 -2.822 -4.932 0.36 0.00 C ATOM 180 O ARG A 11 -18.280 -3.311 -6.044 0.67 0.00 O ATOM 181 CB ARG A 11 -20.436 -1.256 -4.829 0.72 0.00 C ATOM 182 CG ARG A 11 -21.883 -1.019 -4.429 0.18 0.00 C ATOM 183 CD ARG A 11 -22.361 0.361 -4.850 0.34 0.00 C ATOM 184 NE ARG A 11 -23.765 0.578 -4.514 0.38 0.00 N ATOM 185 CZ ARG A 11 -24.429 1.690 -4.812 0.89 0.00 C ATOM 186 NH1 ARG A 11 -23.819 2.681 -5.449 0.19 0.00 N ATOM 187 NH2 ARG A 11 -25.706 1.811 -4.473 0.54 0.00 N ATOM 0 H ARG A 11 -20.056 -1.898 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.539 -3.403 -4.856 0.16 0.00 H new ATOM 0 HB2 ARG A 11 -19.811 -0.485 -4.379 0.72 0.00 H new ATOM 0 HB3 ARG A 11 -20.344 -1.150 -5.910 0.72 0.00 H new ATOM 0 HG2 ARG A 11 -22.517 -1.779 -4.886 0.18 0.00 H new ATOM 0 HG3 ARG A 11 -21.985 -1.126 -3.349 0.18 0.00 H new ATOM 0 HD2 ARG A 11 -21.750 1.121 -4.363 0.34 0.00 H new ATOM 0 HD3 ARG A 11 -22.222 0.481 -5.924 0.34 0.00 H new ATOM 0 HE ARG A 11 -24.264 -0.165 -4.024 0.38 0.00 H new ATOM 0 HH11 ARG A 11 -22.838 2.591 -5.712 0.19 0.00 H new ATOM 0 HH12 ARG A 11 -24.332 3.533 -5.676 0.19 0.00 H new ATOM 0 HH21 ARG A 11 -26.178 1.051 -3.984 0.54 0.00 H new ATOM 0 HH22 ARG A 11 -26.216 2.664 -4.702 0.54 0.00 H new ATOM 201 N ASP A 12 -17.505 -2.437 -4.120 1.00 0.00 N ATOM 202 CA ASP A 12 -16.103 -2.566 -4.499 0.29 0.00 C ATOM 203 C ASP A 12 -15.648 -4.021 -4.424 1.00 0.00 C ATOM 204 O ASP A 12 -14.776 -4.449 -5.182 0.68 0.00 O ATOM 205 CB ASP A 12 -15.222 -1.699 -3.596 0.30 0.00 C ATOM 206 CG ASP A 12 -15.565 -0.225 -3.693 1.00 0.00 C ATOM 207 OD1 ASP A 12 -15.307 0.376 -4.758 0.20 0.00 O ATOM 208 OD2 ASP A 12 -16.090 0.328 -2.705 0.14 0.00 O ATOM 0 H ASP A 12 -17.656 -2.033 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 12 -16.002 -2.224 -5.529 0.29 0.00 H new ATOM 0 HB2 ASP A 12 -15.332 -2.027 -2.562 0.30 0.00 H new ATOM 0 HB3 ASP A 12 -14.176 -1.844 -3.867 0.30 0.00 H new ATOM 213 N PHE A 13 -16.245 -4.776 -3.507 0.12 0.00 N ATOM 214 CA PHE A 13 -15.899 -6.183 -3.329 0.06 0.00 C ATOM 215 C PHE A 13 -16.473 -7.039 -4.456 0.95 0.00 C ATOM 216 O PHE A 13 -15.755 -7.817 -5.082 0.21 0.00 O ATOM 217 CB PHE A 13 -16.405 -6.686 -1.974 0.37 0.00 C ATOM 218 CG PHE A 13 -16.176 -8.155 -1.748 1.00 0.00 C ATOM 219 CD1 PHE A 13 -14.932 -8.722 -1.977 0.07 0.00 C ATOM 220 CD2 PHE A 13 -17.206 -8.969 -1.303 0.11 0.00 C ATOM 221 CE1 PHE A 13 -14.720 -10.070 -1.767 0.25 0.00 C ATOM 222 CE2 PHE A 13 -17.001 -10.318 -1.093 0.24 0.00 C ATOM 223 CZ PHE A 13 -15.755 -10.870 -1.325 0.06 0.00 C ATOM 0 H PHE A 13 -16.971 -4.437 -2.875 0.12 0.00 H new ATOM 0 HA PHE A 13 -14.813 -6.269 -3.358 0.06 0.00 H new ATOM 0 HB2 PHE A 13 -15.911 -6.125 -1.181 0.37 0.00 H new ATOM 0 HB3 PHE A 13 -17.472 -6.478 -1.895 0.37 0.00 H new ATOM 0 HD1 PHE A 13 -14.119 -8.102 -2.324 0.07 0.00 H new ATOM 0 HD2 PHE A 13 -18.181 -8.543 -1.118 0.11 0.00 H new ATOM 0 HE1 PHE A 13 -13.745 -10.498 -1.948 0.25 0.00 H new ATOM 0 HE2 PHE A 13 -17.813 -10.941 -0.748 0.24 0.00 H new ATOM 0 HZ PHE A 13 -15.591 -11.925 -1.161 0.06 0.00 H new ATOM 233 N LYS A 14 -17.772 -6.891 -4.704 0.47 0.00 N ATOM 234 CA LYS A 14 -18.442 -7.657 -5.752 0.07 0.00 C ATOM 235 C LYS A 14 -17.820 -7.387 -7.119 0.44 0.00 C ATOM 236 O LYS A 14 -17.800 -8.261 -7.985 0.76 0.00 O ATOM 237 CB LYS A 14 -19.937 -7.333 -5.776 0.12 0.00 C ATOM 238 CG LYS A 14 -20.248 -5.870 -6.033 0.87 0.00 C ATOM 239 CD LYS A 14 -20.427 -5.580 -7.515 0.37 0.00 C ATOM 240 CE LYS A 14 -20.867 -4.144 -7.751 1.00 0.00 C ATOM 241 NZ LYS A 14 -21.064 -3.849 -9.198 0.27 0.00 N ATOM 0 H LYS A 14 -18.380 -6.250 -4.195 0.47 0.00 H new ATOM 0 HA LYS A 14 -18.313 -8.716 -5.527 0.07 0.00 H new ATOM 0 HB2 LYS A 14 -20.417 -7.936 -6.547 0.12 0.00 H new ATOM 0 HB3 LYS A 14 -20.377 -7.625 -4.822 0.12 0.00 H new ATOM 0 HG2 LYS A 14 -21.155 -5.592 -5.497 0.87 0.00 H new ATOM 0 HG3 LYS A 14 -19.442 -5.252 -5.637 0.87 0.00 H new ATOM 0 HD2 LYS A 14 -19.490 -5.766 -8.039 0.37 0.00 H new ATOM 0 HD3 LYS A 14 -21.167 -6.262 -7.934 0.37 0.00 H new ATOM 0 HE2 LYS A 14 -21.797 -3.957 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.120 -3.464 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.363 -2.860 -9.313 0.27 0.00 H new ATOM 0 HZ2 LYS A 14 -20.171 -4.002 -9.708 0.27 0.00 H new ATOM 0 HZ3 LYS A 14 -21.796 -4.479 -9.584 0.27 0.00 H new ATOM 255 N ARG A 15 -17.321 -6.171 -7.310 1.00 0.00 N ATOM 256 CA ARG A 15 -16.703 -5.789 -8.574 1.00 0.00 C ATOM 257 C ARG A 15 -15.272 -6.315 -8.666 0.22 0.00 C ATOM 258 O ARG A 15 -14.749 -6.521 -9.763 0.24 0.00 O ATOM 259 CB ARG A 15 -16.707 -4.267 -8.731 0.53 0.00 C ATOM 260 CG ARG A 15 -16.190 -3.794 -10.082 0.54 0.00 C ATOM 261 CD ARG A 15 -16.261 -2.280 -10.211 1.00 0.00 C ATOM 262 NE ARG A 15 -15.833 -1.824 -11.533 0.53 0.00 N ATOM 263 CZ ARG A 15 -15.675 -0.544 -11.857 0.19 0.00 C ATOM 264 NH1 ARG A 15 -15.915 0.407 -10.964 0.43 0.00 N ATOM 265 NH2 ARG A 15 -15.277 -0.213 -13.080 0.25 0.00 N ATOM 0 H ARG A 15 -17.332 -5.433 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.287 -6.233 -9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.723 -3.898 -8.590 0.53 0.00 H new ATOM 0 HB3 ARG A 15 -16.096 -3.827 -7.943 0.53 0.00 H new ATOM 0 HG2 ARG A 15 -15.159 -4.123 -10.213 0.54 0.00 H new ATOM 0 HG3 ARG A 15 -16.775 -4.255 -10.878 0.54 0.00 H new ATOM 0 HD2 ARG A 15 -17.282 -1.947 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.633 -1.821 -9.448 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.645 -2.528 -12.247 0.53 0.00 H new ATOM 0 HH11 ARG A 15 -16.222 0.158 -10.024 0.43 0.00 H new ATOM 0 HH12 ARG A 15 -15.792 1.387 -11.218 0.43 0.00 H new ATOM 0 HH21 ARG A 15 -15.093 -0.941 -13.771 0.25 0.00 H new ATOM 0 HH22 ARG A 15 -15.156 0.769 -13.329 0.25 0.00 H new ATOM 279 N LEU A 16 -14.643 -6.534 -7.515 0.09 0.00 N ATOM 280 CA LEU A 16 -13.269 -7.022 -7.477 0.98 0.00 C ATOM 281 C LEU A 16 -13.185 -8.488 -7.900 0.71 0.00 C ATOM 282 O LEU A 16 -12.291 -8.872 -8.652 0.31 0.00 O ATOM 283 CB LEU A 16 -12.679 -6.841 -6.076 1.00 0.00 C ATOM 284 CG LEU A 16 -11.174 -7.097 -5.965 0.56 0.00 C ATOM 285 CD1 LEU A 16 -10.566 -6.221 -4.880 0.35 0.00 C ATOM 286 CD2 LEU A 16 -10.898 -8.565 -5.674 0.93 0.00 C ATOM 0 H LEU A 16 -15.062 -6.381 -6.598 0.09 0.00 H new ATOM 0 HA LEU A 16 -12.687 -6.434 -8.187 0.98 0.00 H new ATOM 0 HB2 LEU A 16 -12.884 -5.824 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.197 -7.513 -5.391 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.713 -6.843 -6.919 0.56 0.00 H new ATOM 0 HD11 LEU A 16 -9.495 -6.415 -4.813 0.35 0.00 H new ATOM 0 HD12 LEU A 16 -10.730 -5.172 -5.125 0.35 0.00 H new ATOM 0 HD13 LEU A 16 -11.036 -6.448 -3.923 0.35 0.00 H new ATOM 0 HD21 LEU A 16 -9.822 -8.725 -5.599 0.93 0.00 H new ATOM 0 HD22 LEU A 16 -11.373 -8.845 -4.734 0.93 0.00 H new ATOM 0 HD23 LEU A 16 -11.301 -9.178 -6.481 0.93 0.00 H new ATOM 298 N GLN A 17 -14.117 -9.305 -7.412 1.00 0.00 N ATOM 299 CA GLN A 17 -14.133 -10.721 -7.741 0.15 0.00 C ATOM 300 C GLN A 17 -14.338 -10.938 -9.238 0.07 0.00 C ATOM 301 O GLN A 17 -13.805 -11.883 -9.816 0.46 0.00 O ATOM 302 CB GLN A 17 -15.231 -11.430 -6.951 1.00 0.00 C ATOM 303 CG GLN A 17 -16.622 -10.871 -7.199 0.06 0.00 C ATOM 304 CD GLN A 17 -17.697 -11.644 -6.461 0.88 0.00 C ATOM 305 OE1 GLN A 17 -18.263 -12.602 -6.989 0.57 0.00 O ATOM 306 NE2 GLN A 17 -17.983 -11.233 -5.232 0.18 0.00 N ATOM 0 H GLN A 17 -14.868 -9.007 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.166 -11.143 -7.469 0.15 0.00 H new ATOM 0 HB2 GLN A 17 -15.224 -12.489 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.005 -11.358 -5.887 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -16.651 -9.827 -6.888 0.06 0.00 H new ATOM 0 HG3 GLN A 17 -16.833 -10.891 -8.268 0.06 0.00 H new ATOM 0 HE21 GLN A 17 -17.489 -10.434 -4.833 0.18 0.00 H new ATOM 0 HE22 GLN A 17 -18.697 -11.716 -4.686 0.18 0.00 H new ATOM 315 N GLU A 18 -15.114 -10.055 -9.861 0.05 0.00 N ATOM 316 CA GLU A 18 -15.383 -10.150 -11.291 0.10 0.00 C ATOM 317 C GLU A 18 -14.102 -9.967 -12.099 0.70 0.00 C ATOM 318 O GLU A 18 -13.864 -10.682 -13.073 0.06 0.00 O ATOM 319 CB GLU A 18 -16.416 -9.103 -11.712 0.72 0.00 C ATOM 320 CG GLU A 18 -17.771 -9.286 -11.052 1.00 0.00 C ATOM 321 CD GLU A 18 -18.450 -10.576 -11.465 0.08 0.00 C ATOM 322 OE1 GLU A 18 -18.225 -11.607 -10.797 0.55 0.00 O ATOM 323 OE2 GLU A 18 -19.207 -10.557 -12.459 1.00 0.00 O ATOM 0 H GLU A 18 -15.567 -9.267 -9.398 0.05 0.00 H new ATOM 0 HA GLU A 18 -15.782 -11.144 -11.492 0.10 0.00 H new ATOM 0 HB2 GLU A 18 -16.035 -8.111 -11.470 0.72 0.00 H new ATOM 0 HB3 GLU A 18 -16.540 -9.142 -12.794 0.72 0.00 H new ATOM 0 HG2 GLU A 18 -17.648 -9.275 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.413 -8.443 -11.309 1.00 0.00 H new ATOM 330 N ASP A 19 -13.282 -9.007 -11.686 0.25 0.00 N ATOM 331 CA ASP A 19 -12.025 -8.728 -12.369 0.86 0.00 C ATOM 332 C ASP A 19 -11.033 -8.047 -11.427 0.09 0.00 C ATOM 333 O ASP A 19 -10.922 -6.819 -11.416 1.00 0.00 O ATOM 334 CB ASP A 19 -12.274 -7.851 -13.598 1.00 0.00 C ATOM 335 CG ASP A 19 -11.002 -7.573 -14.376 0.24 0.00 C ATOM 336 OD1 ASP A 19 -10.585 -8.450 -15.163 0.43 0.00 O ATOM 337 OD2 ASP A 19 -10.424 -6.481 -14.200 1.00 0.00 O ATOM 0 H ASP A 19 -13.466 -8.409 -10.881 0.25 0.00 H new ATOM 0 HA ASP A 19 -11.594 -9.676 -12.692 0.86 0.00 H new ATOM 0 HB2 ASP A 19 -12.996 -8.341 -14.251 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.718 -6.907 -13.283 1.00 0.00 H new ATOM 342 N PRO A 20 -10.305 -8.835 -10.615 0.67 0.00 N ATOM 343 CA PRO A 20 -9.321 -8.300 -9.668 0.18 0.00 C ATOM 344 C PRO A 20 -8.091 -7.727 -10.370 1.00 0.00 C ATOM 345 O PRO A 20 -7.784 -8.107 -11.500 1.00 0.00 O ATOM 346 CB PRO A 20 -8.936 -9.519 -8.826 0.10 0.00 C ATOM 347 CG PRO A 20 -9.200 -10.688 -9.711 0.08 0.00 C ATOM 348 CD PRO A 20 -10.385 -10.308 -10.554 0.13 0.00 C ATOM 0 HA PRO A 20 -9.727 -7.474 -9.084 0.18 0.00 H new ATOM 0 HB2 PRO A 20 -7.889 -9.478 -8.526 0.10 0.00 H new ATOM 0 HB3 PRO A 20 -9.528 -9.572 -7.912 0.10 0.00 H new ATOM 0 HG2 PRO A 20 -8.333 -10.910 -10.333 0.08 0.00 H new ATOM 0 HG3 PRO A 20 -9.409 -11.583 -9.124 0.08 0.00 H new ATOM 0 HD2 PRO A 20 -10.331 -10.755 -11.547 0.13 0.00 H new ATOM 0 HD3 PRO A 20 -11.321 -10.641 -10.105 0.13 0.00 H new ATOM 356 N PRO A 21 -7.367 -6.802 -9.709 0.50 0.00 N ATOM 357 CA PRO A 21 -6.167 -6.185 -10.284 0.09 0.00 C ATOM 358 C PRO A 21 -5.024 -7.179 -10.438 0.97 0.00 C ATOM 359 O PRO A 21 -4.916 -8.139 -9.674 1.00 0.00 O ATOM 360 CB PRO A 21 -5.798 -5.101 -9.268 1.00 0.00 C ATOM 361 CG PRO A 21 -6.393 -5.565 -7.985 1.00 0.00 C ATOM 362 CD PRO A 21 -7.657 -6.289 -8.356 0.50 0.00 C ATOM 0 HA PRO A 21 -6.350 -5.801 -11.288 0.09 0.00 H new ATOM 0 HB2 PRO A 21 -4.717 -4.988 -9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.198 -4.131 -9.562 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.707 -6.224 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.604 -4.723 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.878 -7.096 -7.658 0.50 0.00 H new ATOM 0 HD3 PRO A 21 -8.519 -5.621 -8.355 0.50 0.00 H new ATOM 370 N VAL A 22 -4.173 -6.946 -11.432 0.12 0.00 N ATOM 371 CA VAL A 22 -3.037 -7.821 -11.685 1.00 0.00 C ATOM 372 C VAL A 22 -1.794 -7.329 -10.950 0.39 0.00 C ATOM 373 O VAL A 22 -1.499 -6.134 -10.941 0.84 0.00 O ATOM 374 CB VAL A 22 -2.724 -7.915 -13.192 0.14 0.00 C ATOM 375 CG1 VAL A 22 -1.592 -8.899 -13.446 0.33 0.00 C ATOM 376 CG2 VAL A 22 -3.969 -8.313 -13.973 0.62 0.00 C ATOM 0 H VAL A 22 -4.250 -6.158 -12.075 0.12 0.00 H new ATOM 0 HA VAL A 22 -3.309 -8.810 -11.316 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.403 -6.932 -13.537 0.14 0.00 H new ATOM 0 HG11 VAL A 22 -1.387 -8.950 -14.515 0.33 0.00 H new ATOM 0 HG12 VAL A 22 -0.697 -8.567 -12.921 0.33 0.00 H new ATOM 0 HG13 VAL A 22 -1.880 -9.886 -13.084 0.33 0.00 H new ATOM 0 HG21 VAL A 22 -3.729 -8.374 -15.034 0.62 0.00 H new ATOM 0 HG22 VAL A 22 -4.322 -9.283 -13.624 0.62 0.00 H new ATOM 0 HG23 VAL A 22 -4.749 -7.567 -13.820 0.62 0.00 H new ATOM 386 N GLY A 23 -1.070 -8.259 -10.333 1.00 0.00 N ATOM 387 CA GLY A 23 0.133 -7.899 -9.607 0.07 0.00 C ATOM 388 C GLY A 23 -0.123 -7.644 -8.135 1.00 0.00 C ATOM 389 O GLY A 23 0.802 -7.688 -7.323 1.00 0.00 O ATOM 0 H GLY A 23 -1.295 -9.254 -10.323 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.867 -8.698 -9.710 0.07 0.00 H new ATOM 0 HA3 GLY A 23 0.569 -7.006 -10.055 0.07 0.00 H new ATOM 393 N VAL A 24 -1.379 -7.380 -7.788 0.70 0.00 N ATOM 394 CA VAL A 24 -1.751 -7.112 -6.402 0.05 0.00 C ATOM 395 C VAL A 24 -3.142 -7.651 -6.084 0.14 0.00 C ATOM 396 O VAL A 24 -3.964 -7.840 -6.981 0.11 0.00 O ATOM 397 CB VAL A 24 -1.722 -5.602 -6.098 0.09 0.00 C ATOM 398 CG1 VAL A 24 -0.299 -5.069 -6.143 0.08 0.00 C ATOM 399 CG2 VAL A 24 -2.610 -4.845 -7.076 0.86 0.00 C ATOM 0 H VAL A 24 -2.157 -7.346 -8.447 0.70 0.00 H new ATOM 0 HA VAL A 24 -1.017 -7.621 -5.777 0.05 0.00 H new ATOM 0 HB VAL A 24 -2.109 -5.449 -5.091 0.09 0.00 H new ATOM 0 HG11 VAL A 24 -0.303 -4.001 -5.925 0.08 0.00 H new ATOM 0 HG12 VAL A 24 0.308 -5.588 -5.401 0.08 0.00 H new ATOM 0 HG13 VAL A 24 0.121 -5.235 -7.135 0.08 0.00 H new ATOM 0 HG21 VAL A 24 -2.578 -3.780 -6.847 0.86 0.00 H new ATOM 0 HG22 VAL A 24 -2.253 -5.008 -8.093 0.86 0.00 H new ATOM 0 HG23 VAL A 24 -3.635 -5.204 -6.989 0.86 0.00 H new ATOM 409 N SER A 25 -3.400 -7.895 -4.801 0.07 0.00 N ATOM 410 CA SER A 25 -4.698 -8.404 -4.364 1.00 0.00 C ATOM 411 C SER A 25 -5.178 -7.662 -3.120 1.00 0.00 C ATOM 412 O SER A 25 -4.372 -7.247 -2.288 0.41 0.00 O ATOM 413 CB SER A 25 -4.610 -9.903 -4.074 1.00 0.00 C ATOM 414 OG SER A 25 -5.864 -10.417 -3.656 0.07 0.00 O ATOM 0 H SER A 25 -2.729 -7.749 -4.047 0.07 0.00 H new ATOM 0 HA SER A 25 -5.416 -8.238 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.277 -10.430 -4.968 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.863 -10.084 -3.301 1.00 0.00 H new ATOM 0 HG SER A 25 -5.781 -11.377 -3.479 0.07 0.00 H new ATOM 420 N GLY A 26 -6.490 -7.493 -3.004 0.80 0.00 N ATOM 421 CA GLY A 26 -7.053 -6.804 -1.855 0.05 0.00 C ATOM 422 C GLY A 26 -8.505 -7.162 -1.613 0.98 0.00 C ATOM 423 O GLY A 26 -9.407 -6.483 -2.102 0.06 0.00 O ATOM 0 H GLY A 26 -7.175 -7.820 -3.685 0.80 0.00 H new ATOM 0 HA2 GLY A 26 -6.470 -7.049 -0.968 0.05 0.00 H new ATOM 0 HA3 GLY A 26 -6.968 -5.728 -2.004 0.05 0.00 H new ATOM 427 N ALA A 27 -8.733 -8.227 -0.852 1.00 0.00 N ATOM 428 CA ALA A 27 -10.087 -8.672 -0.546 0.70 0.00 C ATOM 429 C ALA A 27 -10.195 -9.153 0.899 1.00 0.00 C ATOM 430 O ALA A 27 -9.207 -9.591 1.488 0.10 0.00 O ATOM 431 CB ALA A 27 -10.504 -9.777 -1.506 0.94 0.00 C ATOM 0 H ALA A 27 -7.997 -8.798 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.760 -7.824 -0.668 0.70 0.00 H new ATOM 0 HB1 ALA A 27 -11.517 -10.102 -1.269 0.94 0.00 H new ATOM 0 HB2 ALA A 27 -10.474 -9.401 -2.529 0.94 0.00 H new ATOM 0 HB3 ALA A 27 -9.820 -10.620 -1.409 0.94 0.00 H new ATOM 437 N PRO A 28 -11.402 -9.080 1.495 0.05 0.00 N ATOM 438 CA PRO A 28 -11.622 -9.511 2.881 0.58 0.00 C ATOM 439 C PRO A 28 -11.501 -11.022 3.044 1.00 0.00 C ATOM 440 O PRO A 28 -12.348 -11.779 2.567 0.23 0.00 O ATOM 441 CB PRO A 28 -13.054 -9.055 3.175 0.65 0.00 C ATOM 442 CG PRO A 28 -13.713 -8.987 1.843 1.00 0.00 C ATOM 443 CD PRO A 28 -12.641 -8.575 0.871 1.00 0.00 C ATOM 0 HA PRO A 28 -10.880 -9.091 3.559 0.58 0.00 H new ATOM 0 HB2 PRO A 28 -13.565 -9.757 3.834 0.65 0.00 H new ATOM 0 HB3 PRO A 28 -13.066 -8.085 3.672 0.65 0.00 H new ATOM 0 HG2 PRO A 28 -14.139 -9.952 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.532 -8.268 1.849 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.802 -9.013 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.612 -7.493 0.739 1.00 0.00 H new ATOM 451 N SER A 29 -10.440 -11.455 3.720 1.00 0.00 N ATOM 452 CA SER A 29 -10.205 -12.877 3.945 1.00 0.00 C ATOM 453 C SER A 29 -11.098 -13.405 5.063 0.74 0.00 C ATOM 454 O SER A 29 -11.944 -14.273 4.836 0.09 0.00 O ATOM 455 CB SER A 29 -8.735 -13.126 4.288 0.48 0.00 C ATOM 456 OG SER A 29 -8.339 -12.377 5.422 0.58 0.00 O ATOM 0 H SER A 29 -9.730 -10.842 4.121 1.00 0.00 H new ATOM 0 HA SER A 29 -10.450 -13.410 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.578 -14.188 4.478 0.48 0.00 H new ATOM 0 HB3 SER A 29 -8.110 -12.859 3.436 0.48 0.00 H new ATOM 0 HG SER A 29 -7.396 -12.557 5.620 0.58 0.00 H new ATOM 462 N GLU A 30 -10.909 -12.877 6.268 1.00 0.00 N ATOM 463 CA GLU A 30 -11.699 -13.294 7.420 1.00 0.00 C ATOM 464 C GLU A 30 -12.131 -12.088 8.246 0.94 0.00 C ATOM 465 O GLU A 30 -13.179 -12.108 8.891 0.46 0.00 O ATOM 466 CB GLU A 30 -10.897 -14.264 8.292 0.62 0.00 C ATOM 467 CG GLU A 30 -11.671 -14.784 9.492 0.05 0.00 C ATOM 468 CD GLU A 30 -10.850 -15.724 10.353 0.46 0.00 C ATOM 469 OE1 GLU A 30 -10.105 -15.231 11.225 0.17 0.00 O ATOM 470 OE2 GLU A 30 -10.951 -16.953 10.152 0.08 0.00 O ATOM 0 H GLU A 30 -10.214 -12.158 6.472 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.592 -13.800 7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.578 -15.109 7.682 0.62 0.00 H new ATOM 0 HB3 GLU A 30 -9.994 -13.764 8.641 0.62 0.00 H new ATOM 0 HG2 GLU A 30 -12.005 -13.941 10.097 0.05 0.00 H new ATOM 0 HG3 GLU A 30 -12.565 -15.302 9.146 0.05 0.00 H new ATOM 477 N ASN A 31 -11.313 -11.042 8.225 0.06 0.00 N ATOM 478 CA ASN A 31 -11.606 -9.824 8.969 0.54 0.00 C ATOM 479 C ASN A 31 -12.869 -9.155 8.433 0.47 0.00 C ATOM 480 O ASN A 31 -13.156 -9.219 7.238 0.17 0.00 O ATOM 481 CB ASN A 31 -10.423 -8.857 8.892 0.95 0.00 C ATOM 482 CG ASN A 31 -9.130 -9.491 9.368 0.12 0.00 C ATOM 483 OD1 ASN A 31 -8.392 -10.088 8.584 0.07 0.00 O ATOM 484 ND2 ASN A 31 -8.849 -9.364 10.661 0.30 0.00 N ATOM 0 H ASN A 31 -10.439 -11.014 7.699 0.06 0.00 H new ATOM 0 HA ASN A 31 -11.774 -10.092 10.012 0.54 0.00 H new ATOM 0 HB2 ASN A 31 -10.301 -8.516 7.864 0.95 0.00 H new ATOM 0 HB3 ASN A 31 -10.637 -7.976 9.496 0.95 0.00 H new ATOM 0 HD21 ASN A 31 -7.993 -9.770 11.039 0.30 0.00 H new ATOM 0 HD22 ASN A 31 -9.489 -8.861 11.275 0.30 0.00 H new ATOM 491 N ASN A 32 -13.623 -8.523 9.329 0.51 0.00 N ATOM 492 CA ASN A 32 -14.866 -7.849 8.958 1.00 0.00 C ATOM 493 C ASN A 32 -14.650 -6.853 7.820 0.36 0.00 C ATOM 494 O ASN A 32 -13.523 -6.617 7.386 0.06 0.00 O ATOM 495 CB ASN A 32 -15.459 -7.126 10.169 0.08 0.00 C ATOM 496 CG ASN A 32 -15.909 -8.085 11.257 0.07 0.00 C ATOM 497 OD1 ASN A 32 -15.847 -7.767 12.445 0.62 0.00 O ATOM 498 ND2 ASN A 32 -16.374 -9.263 10.855 0.14 0.00 N ATOM 0 H ASN A 32 -13.394 -8.463 10.321 0.51 0.00 H new ATOM 0 HA ASN A 32 -15.562 -8.613 8.612 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.717 -6.440 10.578 0.08 0.00 H new ATOM 0 HB3 ASN A 32 -16.308 -6.522 9.848 0.08 0.00 H new ATOM 0 HD21 ASN A 32 -16.697 -9.945 11.541 0.14 0.00 H new ATOM 0 HD22 ASN A 32 -16.408 -9.485 9.860 0.14 0.00 H new ATOM 505 N ILE A 33 -15.747 -6.267 7.350 0.79 0.00 N ATOM 506 CA ILE A 33 -15.703 -5.298 6.260 0.24 0.00 C ATOM 507 C ILE A 33 -14.778 -4.127 6.588 1.00 0.00 C ATOM 508 O ILE A 33 -14.341 -3.398 5.696 0.16 0.00 O ATOM 509 CB ILE A 33 -17.114 -4.764 5.942 0.48 0.00 C ATOM 510 CG1 ILE A 33 -17.108 -3.965 4.637 0.13 0.00 C ATOM 511 CG2 ILE A 33 -17.634 -3.910 7.092 0.07 0.00 C ATOM 512 CD1 ILE A 33 -18.492 -3.648 4.115 0.38 0.00 C ATOM 0 H ILE A 33 -16.684 -6.448 7.710 0.79 0.00 H new ATOM 0 HA ILE A 33 -15.310 -5.817 5.386 0.24 0.00 H new ATOM 0 HB ILE A 33 -17.783 -5.616 5.817 0.48 0.00 H new ATOM 0 HG12 ILE A 33 -16.566 -3.033 4.794 0.13 0.00 H new ATOM 0 HG13 ILE A 33 -16.563 -4.527 3.879 0.13 0.00 H new ATOM 0 HG21 ILE A 33 -18.631 -3.542 6.850 0.07 0.00 H new ATOM 0 HG22 ILE A 33 -17.680 -4.511 8.000 0.07 0.00 H new ATOM 0 HG23 ILE A 33 -16.964 -3.065 7.250 0.07 0.00 H new ATOM 0 HD11 ILE A 33 -18.410 -3.080 3.188 0.38 0.00 H new ATOM 0 HD12 ILE A 33 -19.031 -4.576 3.926 0.38 0.00 H new ATOM 0 HD13 ILE A 33 -19.034 -3.059 4.855 0.38 0.00 H new ATOM 524 N MET A 34 -14.481 -3.956 7.872 0.18 0.00 N ATOM 525 CA MET A 34 -13.609 -2.872 8.318 1.00 0.00 C ATOM 526 C MET A 34 -12.162 -3.133 7.908 0.22 0.00 C ATOM 527 O MET A 34 -11.505 -2.269 7.329 0.39 0.00 O ATOM 528 CB MET A 34 -13.699 -2.713 9.834 0.18 0.00 C ATOM 529 CG MET A 34 -15.120 -2.571 10.348 0.13 0.00 C ATOM 530 SD MET A 34 -15.196 -2.370 12.139 0.13 0.00 S ATOM 531 CE MET A 34 -16.964 -2.448 12.409 0.35 0.00 C ATOM 0 H MET A 34 -14.830 -4.553 8.622 0.18 0.00 H new ATOM 0 HA MET A 34 -13.942 -1.950 7.841 1.00 0.00 H new ATOM 0 HB2 MET A 34 -13.234 -3.577 10.309 0.18 0.00 H new ATOM 0 HB3 MET A 34 -13.124 -1.837 10.134 0.18 0.00 H new ATOM 0 HG2 MET A 34 -15.591 -1.712 9.870 0.13 0.00 H new ATOM 0 HG3 MET A 34 -15.696 -3.451 10.061 0.13 0.00 H new ATOM 0 HE1 MET A 34 -17.175 -2.339 13.473 0.35 0.00 H new ATOM 0 HE2 MET A 34 -17.452 -1.644 11.858 0.35 0.00 H new ATOM 0 HE3 MET A 34 -17.343 -3.409 12.061 0.35 0.00 H new ATOM 541 N GLN A 35 -11.676 -4.330 8.218 1.00 0.00 N ATOM 542 CA GLN A 35 -10.306 -4.710 7.890 1.00 0.00 C ATOM 543 C GLN A 35 -10.278 -5.657 6.692 0.06 0.00 C ATOM 544 O GLN A 35 -10.964 -6.678 6.680 0.33 0.00 O ATOM 545 CB GLN A 35 -9.639 -5.370 9.098 0.22 0.00 C ATOM 546 CG GLN A 35 -8.212 -5.825 8.836 0.13 0.00 C ATOM 547 CD GLN A 35 -7.542 -6.399 10.070 0.08 0.00 C ATOM 548 OE1 GLN A 35 -6.695 -7.288 9.974 0.48 0.00 O ATOM 549 NE2 GLN A 35 -7.913 -5.890 11.241 0.19 0.00 N ATOM 0 H GLN A 35 -12.211 -5.055 8.697 1.00 0.00 H new ATOM 0 HA GLN A 35 -9.753 -3.808 7.628 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.640 -4.667 9.931 0.22 0.00 H new ATOM 0 HB3 GLN A 35 -10.234 -6.230 9.406 0.22 0.00 H new ATOM 0 HG2 GLN A 35 -8.214 -6.577 8.047 0.13 0.00 H new ATOM 0 HG3 GLN A 35 -7.628 -4.981 8.470 0.13 0.00 H new ATOM 0 HE21 GLN A 35 -8.618 -5.154 11.277 0.19 0.00 H new ATOM 0 HE22 GLN A 35 -7.492 -6.235 12.104 0.19 0.00 H new ATOM 558 N TRP A 36 -9.476 -5.311 5.690 0.27 0.00 N ATOM 559 CA TRP A 36 -9.357 -6.126 4.485 0.31 0.00 C ATOM 560 C TRP A 36 -7.952 -6.707 4.355 0.30 0.00 C ATOM 561 O TRP A 36 -6.987 -6.141 4.866 0.80 0.00 O ATOM 562 CB TRP A 36 -9.694 -5.289 3.245 0.18 0.00 C ATOM 563 CG TRP A 36 -11.167 -5.100 3.024 0.66 0.00 C ATOM 564 CD1 TRP A 36 -12.134 -4.957 3.977 0.08 0.00 C ATOM 565 CD2 TRP A 36 -11.839 -5.029 1.759 0.06 0.00 C ATOM 566 NE1 TRP A 36 -13.364 -4.811 3.384 0.05 0.00 N ATOM 567 CE2 TRP A 36 -13.210 -4.849 2.024 0.97 0.00 C ATOM 568 CE3 TRP A 36 -11.413 -5.100 0.430 0.07 0.00 C ATOM 569 CZ2 TRP A 36 -14.157 -4.740 1.008 0.09 0.00 C ATOM 570 CZ3 TRP A 36 -12.354 -4.992 -0.577 0.39 0.00 C ATOM 571 CH2 TRP A 36 -13.712 -4.814 -0.284 1.00 0.00 C ATOM 0 H TRP A 36 -8.898 -4.471 5.688 0.27 0.00 H new ATOM 0 HA TRP A 36 -10.064 -6.952 4.563 0.31 0.00 H new ATOM 0 HB2 TRP A 36 -9.222 -4.311 3.339 0.18 0.00 H new ATOM 0 HB3 TRP A 36 -9.263 -5.768 2.366 0.18 0.00 H new ATOM 0 HD1 TRP A 36 -11.957 -4.958 5.042 0.08 0.00 H new ATOM 0 HE1 TRP A 36 -14.249 -4.693 3.877 0.05 0.00 H new ATOM 0 HE3 TRP A 36 -10.368 -5.237 0.194 0.07 0.00 H new ATOM 0 HZ2 TRP A 36 -15.204 -4.602 1.232 0.09 0.00 H new ATOM 0 HZ3 TRP A 36 -12.036 -5.046 -1.608 0.39 0.00 H new ATOM 0 HH2 TRP A 36 -14.422 -4.734 -1.094 1.00 0.00 H new ATOM 582 N ASN A 37 -7.846 -7.841 3.669 1.00 0.00 N ATOM 583 CA ASN A 37 -6.558 -8.495 3.465 0.18 0.00 C ATOM 584 C ASN A 37 -6.029 -8.201 2.066 0.06 0.00 C ATOM 585 O ASN A 37 -6.640 -8.586 1.068 1.00 0.00 O ATOM 586 CB ASN A 37 -6.686 -10.006 3.671 0.29 0.00 C ATOM 587 CG ASN A 37 -5.376 -10.735 3.433 0.90 0.00 C ATOM 588 OD1 ASN A 37 -4.583 -10.928 4.354 0.71 0.00 O ATOM 589 ND2 ASN A 37 -5.144 -11.143 2.189 0.25 0.00 N ATOM 0 H ASN A 37 -8.637 -8.326 3.245 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.853 -8.101 4.197 0.18 0.00 H new ATOM 0 HB2 ASN A 37 -7.030 -10.204 4.686 0.29 0.00 H new ATOM 0 HB3 ASN A 37 -7.446 -10.399 2.995 0.29 0.00 H new ATOM 0 HD21 ASN A 37 -4.280 -11.638 1.967 0.25 0.00 H new ATOM 0 HD22 ASN A 37 -5.830 -10.961 1.456 0.25 0.00 H new ATOM 596 N ALA A 38 -4.889 -7.520 1.996 0.27 0.00 N ATOM 597 CA ALA A 38 -4.290 -7.170 0.716 0.71 0.00 C ATOM 598 C ALA A 38 -2.786 -7.415 0.714 0.86 0.00 C ATOM 599 O ALA A 38 -2.125 -7.310 1.747 0.42 0.00 O ATOM 600 CB ALA A 38 -4.585 -5.717 0.381 0.13 0.00 C ATOM 0 H ALA A 38 -4.364 -7.201 2.810 0.27 0.00 H new ATOM 0 HA ALA A 38 -4.732 -7.813 -0.046 0.71 0.00 H new ATOM 0 HB1 ALA A 38 -4.132 -5.466 -0.578 0.13 0.00 H new ATOM 0 HB2 ALA A 38 -5.663 -5.569 0.324 0.13 0.00 H new ATOM 0 HB3 ALA A 38 -4.171 -5.073 1.157 0.13 0.00 H new ATOM 606 N VAL A 39 -2.256 -7.754 -0.456 1.00 0.00 N ATOM 607 CA VAL A 39 -0.830 -8.012 -0.609 0.80 0.00 C ATOM 608 C VAL A 39 -0.299 -7.388 -1.896 0.85 0.00 C ATOM 609 O VAL A 39 -1.010 -7.308 -2.899 1.00 0.00 O ATOM 610 CB VAL A 39 -0.534 -9.523 -0.618 1.00 0.00 C ATOM 611 CG1 VAL A 39 -1.251 -10.200 -1.770 0.10 0.00 C ATOM 612 CG2 VAL A 39 0.964 -9.777 -0.690 0.53 0.00 C ATOM 0 H VAL A 39 -2.796 -7.857 -1.315 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.327 -7.558 0.245 0.80 0.00 H new ATOM 0 HB VAL A 39 -0.906 -9.951 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.030 -11.267 -1.760 0.10 0.00 H new ATOM 0 HG12 VAL A 39 -2.326 -10.051 -1.667 0.10 0.00 H new ATOM 0 HG13 VAL A 39 -0.914 -9.769 -2.712 0.10 0.00 H new ATOM 0 HG21 VAL A 39 1.151 -10.851 -0.695 0.53 0.00 H new ATOM 0 HG22 VAL A 39 1.365 -9.334 -1.602 0.53 0.00 H new ATOM 0 HG23 VAL A 39 1.451 -9.328 0.176 0.53 0.00 H new ATOM 622 N ILE A 40 0.951 -6.945 -1.859 1.00 0.00 N ATOM 623 CA ILE A 40 1.583 -6.335 -3.021 1.00 0.00 C ATOM 624 C ILE A 40 2.935 -6.978 -3.305 1.00 0.00 C ATOM 625 O ILE A 40 3.832 -6.958 -2.461 1.00 0.00 O ATOM 626 CB ILE A 40 1.770 -4.817 -2.821 0.23 0.00 C ATOM 627 CG1 ILE A 40 0.413 -4.142 -2.611 1.00 0.00 C ATOM 628 CG2 ILE A 40 2.497 -4.206 -4.011 0.06 0.00 C ATOM 629 CD1 ILE A 40 0.514 -2.666 -2.290 0.05 0.00 C ATOM 0 H ILE A 40 1.549 -6.997 -1.034 1.00 0.00 H new ATOM 0 HA ILE A 40 0.923 -6.500 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 40 2.379 -4.654 -1.932 0.23 0.00 H new ATOM 0 HG12 ILE A 40 -0.190 -4.269 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.113 -4.647 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.620 -3.135 -3.852 0.06 0.00 H new ATOM 0 HG22 ILE A 40 3.477 -4.672 -4.117 0.06 0.00 H new ATOM 0 HG23 ILE A 40 1.916 -4.374 -4.918 0.06 0.00 H new ATOM 0 HD11 ILE A 40 -0.486 -2.254 -2.154 0.05 0.00 H new ATOM 0 HD12 ILE A 40 1.090 -2.531 -1.374 0.05 0.00 H new ATOM 0 HD13 ILE A 40 1.011 -2.148 -3.110 0.05 0.00 H new ATOM 641 N PHE A 41 3.079 -7.548 -4.497 0.17 0.00 N ATOM 642 CA PHE A 41 4.323 -8.199 -4.890 0.14 0.00 C ATOM 643 C PHE A 41 5.257 -7.208 -5.579 0.20 0.00 C ATOM 644 O PHE A 41 4.805 -6.268 -6.234 0.73 0.00 O ATOM 645 CB PHE A 41 4.039 -9.380 -5.818 1.00 0.00 C ATOM 646 CG PHE A 41 3.017 -10.341 -5.277 0.11 0.00 C ATOM 647 CD1 PHE A 41 3.285 -11.092 -4.142 0.13 0.00 C ATOM 648 CD2 PHE A 41 1.791 -10.493 -5.902 1.00 0.00 C ATOM 649 CE1 PHE A 41 2.347 -11.975 -3.642 0.52 0.00 C ATOM 650 CE2 PHE A 41 0.850 -11.376 -5.406 0.07 0.00 C ATOM 651 CZ PHE A 41 1.127 -12.117 -4.274 0.37 0.00 C ATOM 0 H PHE A 41 2.348 -7.572 -5.208 0.17 0.00 H new ATOM 0 HA PHE A 41 4.811 -8.568 -3.988 0.14 0.00 H new ATOM 0 HB2 PHE A 41 3.694 -9.000 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.969 -9.918 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.237 -10.985 -3.644 0.13 0.00 H new ATOM 0 HD2 PHE A 41 1.567 -9.915 -6.787 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.568 -12.554 -2.757 0.52 0.00 H new ATOM 0 HE2 PHE A 41 -0.102 -11.486 -5.904 0.07 0.00 H new ATOM 0 HZ PHE A 41 0.392 -12.805 -3.884 0.37 0.00 H new ATOM 661 N GLY A 42 6.560 -7.427 -5.428 0.12 0.00 N ATOM 662 CA GLY A 42 7.536 -6.544 -6.040 0.13 0.00 C ATOM 663 C GLY A 42 7.522 -6.620 -7.558 0.98 0.00 C ATOM 664 O GLY A 42 7.387 -7.708 -8.120 0.16 0.00 O ATOM 0 H GLY A 42 6.957 -8.200 -4.893 0.12 0.00 H new ATOM 0 HA2 GLY A 42 7.338 -5.518 -5.729 0.13 0.00 H new ATOM 0 HA3 GLY A 42 8.531 -6.800 -5.676 0.13 0.00 H new ATOM 668 N PRO A 43 7.660 -5.475 -8.256 0.28 0.00 N ATOM 669 CA PRO A 43 7.661 -5.443 -9.723 0.48 0.00 C ATOM 670 C PRO A 43 8.927 -6.057 -10.309 1.00 0.00 C ATOM 671 O PRO A 43 9.818 -6.485 -9.576 0.93 0.00 O ATOM 672 CB PRO A 43 7.594 -3.950 -10.049 0.41 0.00 C ATOM 673 CG PRO A 43 8.187 -3.277 -8.860 1.00 0.00 C ATOM 674 CD PRO A 43 7.818 -4.127 -7.677 1.00 0.00 C ATOM 0 HA PRO A 43 6.838 -6.020 -10.144 0.48 0.00 H new ATOM 0 HB2 PRO A 43 8.153 -3.717 -10.956 0.41 0.00 H new ATOM 0 HB3 PRO A 43 6.566 -3.627 -10.216 0.41 0.00 H new ATOM 0 HG2 PRO A 43 9.269 -3.193 -8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.798 -2.265 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.594 -4.108 -6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.897 -3.782 -7.207 1.00 0.00 H new ATOM 682 N GLU A 44 9.002 -6.092 -11.635 0.13 0.00 N ATOM 683 CA GLU A 44 10.161 -6.657 -12.318 0.12 0.00 C ATOM 684 C GLU A 44 11.266 -5.616 -12.468 1.00 0.00 C ATOM 685 O GLU A 44 11.029 -4.509 -12.954 0.07 0.00 O ATOM 686 CB GLU A 44 9.756 -7.192 -13.693 0.09 0.00 C ATOM 687 CG GLU A 44 10.897 -7.859 -14.443 1.00 0.00 C ATOM 688 CD GLU A 44 10.470 -8.397 -15.794 0.12 0.00 C ATOM 689 OE1 GLU A 44 10.554 -7.643 -16.786 0.14 0.00 O ATOM 690 OE2 GLU A 44 10.053 -9.572 -15.860 0.35 0.00 O ATOM 0 H GLU A 44 8.276 -5.737 -12.257 0.13 0.00 H new ATOM 0 HA GLU A 44 10.543 -7.480 -11.714 0.12 0.00 H new ATOM 0 HB2 GLU A 44 8.944 -7.909 -13.571 0.09 0.00 H new ATOM 0 HB3 GLU A 44 9.368 -6.370 -14.294 0.09 0.00 H new ATOM 0 HG2 GLU A 44 11.705 -7.141 -14.581 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.295 -8.675 -13.840 1.00 0.00 H new ATOM 697 N GLY A 45 12.474 -5.979 -12.047 1.00 0.00 N ATOM 698 CA GLY A 45 13.597 -5.067 -12.141 0.31 0.00 C ATOM 699 C GLY A 45 13.844 -4.317 -10.847 0.77 0.00 C ATOM 700 O GLY A 45 14.362 -3.199 -10.858 0.31 0.00 O ATOM 0 H GLY A 45 12.694 -6.889 -11.642 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.493 -5.626 -12.410 0.31 0.00 H new ATOM 0 HA3 GLY A 45 13.414 -4.352 -12.943 0.31 0.00 H new ATOM 704 N THR A 46 13.468 -4.929 -9.730 1.00 0.00 N ATOM 705 CA THR A 46 13.647 -4.313 -8.422 0.59 0.00 C ATOM 706 C THR A 46 14.137 -5.333 -7.395 1.00 0.00 C ATOM 707 O THR A 46 13.929 -6.532 -7.563 0.59 0.00 O ATOM 708 CB THR A 46 12.334 -3.683 -7.916 0.07 0.00 C ATOM 709 OG1 THR A 46 11.316 -4.687 -7.816 0.45 0.00 O ATOM 710 CG2 THR A 46 11.871 -2.577 -8.851 1.00 0.00 C ATOM 0 H THR A 46 13.037 -5.853 -9.705 1.00 0.00 H new ATOM 0 HA THR A 46 14.397 -3.531 -8.540 0.59 0.00 H new ATOM 0 HB THR A 46 12.518 -3.253 -6.932 0.07 0.00 H new ATOM 0 HG1 THR A 46 11.091 -5.015 -8.712 0.45 0.00 H new ATOM 0 HG21 THR A 46 10.943 -2.147 -8.474 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.635 -1.802 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.702 -2.989 -9.846 1.00 0.00 H new ATOM 718 N PRO A 47 14.795 -4.869 -6.315 0.55 0.00 N ATOM 719 CA PRO A 47 15.304 -5.759 -5.266 1.00 0.00 C ATOM 720 C PRO A 47 14.180 -6.399 -4.459 0.56 0.00 C ATOM 721 O PRO A 47 14.429 -7.144 -3.510 1.00 0.00 O ATOM 722 CB PRO A 47 16.139 -4.833 -4.380 1.00 0.00 C ATOM 723 CG PRO A 47 15.577 -3.473 -4.609 0.73 0.00 C ATOM 724 CD PRO A 47 15.100 -3.453 -6.034 1.00 0.00 C ATOM 0 HA PRO A 47 15.871 -6.593 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.066 -5.119 -3.331 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.194 -4.875 -4.649 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.757 -3.269 -3.921 0.73 0.00 H new ATOM 0 HG3 PRO A 47 16.333 -2.706 -4.440 0.73 0.00 H new ATOM 0 HD2 PRO A 47 14.220 -2.821 -6.154 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.864 -3.066 -6.708 1.00 0.00 H new ATOM 732 N PHE A 48 12.940 -6.105 -4.843 0.06 0.00 N ATOM 733 CA PHE A 48 11.775 -6.649 -4.156 0.12 0.00 C ATOM 734 C PHE A 48 11.039 -7.647 -5.048 0.54 0.00 C ATOM 735 O PHE A 48 10.057 -8.261 -4.630 0.28 0.00 O ATOM 736 CB PHE A 48 10.819 -5.524 -3.754 0.23 0.00 C ATOM 737 CG PHE A 48 11.507 -4.306 -3.198 1.00 0.00 C ATOM 738 CD1 PHE A 48 11.838 -4.233 -1.855 1.00 0.00 C ATOM 739 CD2 PHE A 48 11.816 -3.235 -4.020 1.00 0.00 C ATOM 740 CE1 PHE A 48 12.465 -3.113 -1.342 0.11 0.00 C ATOM 741 CE2 PHE A 48 12.442 -2.111 -3.512 0.33 0.00 C ATOM 742 CZ PHE A 48 12.768 -2.051 -2.171 0.11 0.00 C ATOM 0 H PHE A 48 12.718 -5.492 -5.627 0.06 0.00 H new ATOM 0 HA PHE A 48 12.123 -7.163 -3.260 0.12 0.00 H new ATOM 0 HB2 PHE A 48 10.232 -5.231 -4.625 0.23 0.00 H new ATOM 0 HB3 PHE A 48 10.119 -5.904 -3.010 0.23 0.00 H new ATOM 0 HD1 PHE A 48 11.604 -5.060 -1.201 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.565 -3.278 -5.070 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.718 -3.069 -0.293 0.11 0.00 H new ATOM 0 HE2 PHE A 48 12.676 -1.281 -4.163 0.33 0.00 H new ATOM 0 HZ PHE A 48 13.259 -1.176 -1.772 0.11 0.00 H new ATOM 752 N GLU A 49 11.519 -7.798 -6.278 0.13 0.00 N ATOM 753 CA GLU A 49 10.907 -8.711 -7.239 0.13 0.00 C ATOM 754 C GLU A 49 10.860 -10.141 -6.704 1.00 0.00 C ATOM 755 O GLU A 49 9.956 -10.906 -7.042 1.00 0.00 O ATOM 756 CB GLU A 49 11.673 -8.674 -8.565 0.31 0.00 C ATOM 757 CG GLU A 49 13.068 -9.277 -8.486 1.00 0.00 C ATOM 758 CD GLU A 49 13.823 -9.174 -9.796 0.45 0.00 C ATOM 759 OE1 GLU A 49 13.528 -9.966 -10.716 0.07 0.00 O ATOM 760 OE2 GLU A 49 14.710 -8.301 -9.902 0.05 0.00 O ATOM 0 H GLU A 49 12.333 -7.298 -6.635 0.13 0.00 H new ATOM 0 HA GLU A 49 9.882 -8.380 -7.404 0.13 0.00 H new ATOM 0 HB2 GLU A 49 11.098 -9.209 -9.321 0.31 0.00 H new ATOM 0 HB3 GLU A 49 11.753 -7.639 -8.899 0.31 0.00 H new ATOM 0 HG2 GLU A 49 13.634 -8.772 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.991 -10.325 -8.197 1.00 0.00 H new ATOM 767 N ASP A 50 11.832 -10.494 -5.870 0.14 0.00 N ATOM 768 CA ASP A 50 11.900 -11.834 -5.299 0.43 0.00 C ATOM 769 C ASP A 50 11.028 -11.951 -4.055 0.41 0.00 C ATOM 770 O ASP A 50 10.392 -12.980 -3.825 0.47 0.00 O ATOM 771 CB ASP A 50 13.346 -12.190 -4.956 0.13 0.00 C ATOM 772 CG ASP A 50 14.258 -12.127 -6.165 0.70 0.00 C ATOM 773 OD1 ASP A 50 14.322 -13.126 -6.913 0.08 0.00 O ATOM 774 OD2 ASP A 50 14.907 -11.079 -6.365 0.13 0.00 O ATOM 0 H ASP A 50 12.584 -9.871 -5.574 0.14 0.00 H new ATOM 0 HA ASP A 50 11.524 -12.534 -6.045 0.43 0.00 H new ATOM 0 HB2 ASP A 50 13.714 -11.507 -4.191 0.13 0.00 H new ATOM 0 HB3 ASP A 50 13.379 -13.193 -4.531 0.13 0.00 H new ATOM 779 N GLY A 51 10.999 -10.890 -3.255 0.23 0.00 N ATOM 780 CA GLY A 51 10.204 -10.901 -2.041 0.13 0.00 C ATOM 781 C GLY A 51 8.807 -10.347 -2.253 1.00 0.00 C ATOM 782 O GLY A 51 8.413 -10.054 -3.382 1.00 0.00 O ATOM 0 H GLY A 51 11.511 -10.024 -3.425 0.23 0.00 H new ATOM 0 HA2 GLY A 51 10.133 -11.922 -1.667 0.13 0.00 H new ATOM 0 HA3 GLY A 51 10.711 -10.315 -1.274 0.13 0.00 H new ATOM 786 N THR A 52 8.060 -10.206 -1.164 0.37 0.00 N ATOM 787 CA THR A 52 6.701 -9.684 -1.227 0.08 0.00 C ATOM 788 C THR A 52 6.354 -8.912 0.042 1.00 0.00 C ATOM 789 O THR A 52 6.888 -9.193 1.116 1.00 0.00 O ATOM 790 CB THR A 52 5.674 -10.814 -1.431 0.09 0.00 C ATOM 791 OG1 THR A 52 4.344 -10.294 -1.316 0.16 0.00 O ATOM 792 CG2 THR A 52 5.879 -11.924 -0.412 0.13 0.00 C ATOM 0 H THR A 52 8.374 -10.447 -0.224 0.37 0.00 H new ATOM 0 HA THR A 52 6.657 -9.010 -2.082 0.08 0.00 H new ATOM 0 HB THR A 52 5.817 -11.228 -2.429 0.09 0.00 H new ATOM 0 HG1 THR A 52 3.793 -10.639 -2.050 0.16 0.00 H new ATOM 0 HG21 THR A 52 5.142 -12.710 -0.577 0.13 0.00 H new ATOM 0 HG22 THR A 52 6.881 -12.338 -0.522 0.13 0.00 H new ATOM 0 HG23 THR A 52 5.761 -11.521 0.594 0.13 0.00 H new ATOM 800 N PHE A 53 5.457 -7.938 -0.088 1.00 0.00 N ATOM 801 CA PHE A 53 5.047 -7.120 1.050 0.06 0.00 C ATOM 802 C PHE A 53 3.527 -7.039 1.164 1.00 0.00 C ATOM 803 O PHE A 53 2.848 -6.603 0.235 1.00 0.00 O ATOM 804 CB PHE A 53 5.624 -5.710 0.921 0.51 0.00 C ATOM 805 CG PHE A 53 7.109 -5.640 1.133 0.18 0.00 C ATOM 806 CD1 PHE A 53 7.987 -6.033 0.135 1.00 0.00 C ATOM 807 CD2 PHE A 53 7.625 -5.179 2.332 0.26 0.00 C ATOM 808 CE1 PHE A 53 9.354 -5.969 0.332 0.85 0.00 C ATOM 809 CE2 PHE A 53 8.990 -5.112 2.535 1.00 0.00 C ATOM 810 CZ PHE A 53 9.856 -5.508 1.533 1.00 0.00 C ATOM 0 H PHE A 53 5.001 -7.696 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 53 5.433 -7.595 1.952 0.06 0.00 H new ATOM 0 HB2 PHE A 53 5.389 -5.321 -0.070 0.51 0.00 H new ATOM 0 HB3 PHE A 53 5.132 -5.059 1.644 0.51 0.00 H new ATOM 0 HD1 PHE A 53 7.599 -6.393 -0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.953 -4.868 3.118 0.26 0.00 H new ATOM 0 HE1 PHE A 53 10.028 -6.279 -0.452 0.85 0.00 H new ATOM 0 HE2 PHE A 53 9.380 -4.751 3.475 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.923 -5.457 1.689 1.00 0.00 H new ATOM 820 N LYS A 54 3.001 -7.458 2.313 0.24 0.00 N ATOM 821 CA LYS A 54 1.563 -7.422 2.560 0.08 0.00 C ATOM 822 C LYS A 54 1.182 -6.132 3.287 0.05 0.00 C ATOM 823 O LYS A 54 2.014 -5.528 3.966 0.05 0.00 O ATOM 824 CB LYS A 54 1.136 -8.627 3.402 0.11 0.00 C ATOM 825 CG LYS A 54 1.508 -9.967 2.792 0.33 0.00 C ATOM 826 CD LYS A 54 1.064 -11.122 3.676 0.88 0.00 C ATOM 827 CE LYS A 54 1.425 -12.465 3.061 1.00 0.00 C ATOM 828 NZ LYS A 54 0.946 -13.603 3.893 0.18 0.00 N ATOM 0 H LYS A 54 3.551 -7.827 3.089 0.24 0.00 H new ATOM 0 HA LYS A 54 1.050 -7.458 1.599 0.08 0.00 H new ATOM 0 HB2 LYS A 54 1.593 -8.549 4.389 0.11 0.00 H new ATOM 0 HB3 LYS A 54 0.056 -8.592 3.547 0.11 0.00 H new ATOM 0 HG2 LYS A 54 1.047 -10.061 1.809 0.33 0.00 H new ATOM 0 HG3 LYS A 54 2.587 -10.014 2.644 0.33 0.00 H new ATOM 0 HD2 LYS A 54 1.532 -11.032 4.656 0.88 0.00 H new ATOM 0 HD3 LYS A 54 -0.014 -11.070 3.831 0.88 0.00 H new ATOM 0 HE2 LYS A 54 0.991 -12.536 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.507 -12.531 2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.212 -14.500 3.440 0.18 0.00 H new ATOM 0 HZ2 LYS A 54 1.380 -13.550 4.837 0.18 0.00 H new ATOM 0 HZ3 LYS A 54 -0.089 -13.555 3.985 0.18 0.00 H new ATOM 842 N LEU A 55 -0.071 -5.714 3.142 0.06 0.00 N ATOM 843 CA LEU A 55 -0.551 -4.498 3.796 0.31 0.00 C ATOM 844 C LEU A 55 -2.057 -4.572 4.047 0.23 0.00 C ATOM 845 O LEU A 55 -2.750 -5.400 3.457 0.73 0.00 O ATOM 846 CB LEU A 55 -0.187 -3.251 2.967 0.23 0.00 C ATOM 847 CG LEU A 55 -0.934 -3.047 1.634 0.06 0.00 C ATOM 848 CD1 LEU A 55 -1.053 -4.344 0.847 1.00 0.00 C ATOM 849 CD2 LEU A 55 -2.308 -2.431 1.871 0.80 0.00 C ATOM 0 H LEU A 55 -0.772 -6.196 2.580 0.06 0.00 H new ATOM 0 HA LEU A 55 -0.055 -4.414 4.763 0.31 0.00 H new ATOM 0 HB2 LEU A 55 -0.358 -2.371 3.588 0.23 0.00 H new ATOM 0 HB3 LEU A 55 0.881 -3.288 2.753 0.23 0.00 H new ATOM 0 HG LEU A 55 -0.344 -2.355 1.034 0.06 0.00 H new ATOM 0 HD11 LEU A 55 -1.586 -4.156 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.057 -4.728 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.602 -5.078 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.816 -2.297 0.916 0.80 0.00 H new ATOM 0 HD22 LEU A 55 -2.898 -3.091 2.506 0.80 0.00 H new ATOM 0 HD23 LEU A 55 -2.194 -1.464 2.360 0.80 0.00 H new ATOM 861 N VAL A 56 -2.556 -3.700 4.919 0.65 0.00 N ATOM 862 CA VAL A 56 -3.980 -3.683 5.253 0.05 0.00 C ATOM 863 C VAL A 56 -4.617 -2.330 4.938 1.00 0.00 C ATOM 864 O VAL A 56 -3.945 -1.298 4.940 1.00 0.00 O ATOM 865 CB VAL A 56 -4.203 -4.011 6.743 0.60 0.00 C ATOM 866 CG1 VAL A 56 -3.540 -2.968 7.629 0.51 0.00 C ATOM 867 CG2 VAL A 56 -5.688 -4.117 7.057 0.24 0.00 C ATOM 0 H VAL A 56 -1.999 -2.998 5.406 0.65 0.00 H new ATOM 0 HA VAL A 56 -4.456 -4.447 4.638 0.05 0.00 H new ATOM 0 HB VAL A 56 -3.742 -4.977 6.950 0.60 0.00 H new ATOM 0 HG11 VAL A 56 -3.710 -3.219 8.676 0.51 0.00 H new ATOM 0 HG12 VAL A 56 -2.469 -2.949 7.430 0.51 0.00 H new ATOM 0 HG13 VAL A 56 -3.966 -1.987 7.417 0.51 0.00 H new ATOM 0 HG21 VAL A 56 -5.821 -4.349 8.114 0.24 0.00 H new ATOM 0 HG22 VAL A 56 -6.177 -3.170 6.829 0.24 0.00 H new ATOM 0 HG23 VAL A 56 -6.132 -4.908 6.453 0.24 0.00 H new ATOM 877 N ILE A 57 -5.921 -2.349 4.666 0.41 0.00 N ATOM 878 CA ILE A 57 -6.661 -1.132 4.358 0.65 0.00 C ATOM 879 C ILE A 57 -7.884 -1.002 5.261 0.17 0.00 C ATOM 880 O ILE A 57 -8.733 -1.892 5.302 0.80 0.00 O ATOM 881 CB ILE A 57 -7.124 -1.095 2.885 0.27 0.00 C ATOM 882 CG1 ILE A 57 -5.951 -1.374 1.944 0.25 0.00 C ATOM 883 CG2 ILE A 57 -7.757 0.250 2.561 1.00 0.00 C ATOM 884 CD1 ILE A 57 -5.709 -2.847 1.701 0.58 0.00 C ATOM 0 H ILE A 57 -6.486 -3.198 4.653 0.41 0.00 H new ATOM 0 HA ILE A 57 -5.980 -0.299 4.531 0.65 0.00 H new ATOM 0 HB ILE A 57 -7.872 -1.874 2.741 0.27 0.00 H new ATOM 0 HG12 ILE A 57 -6.137 -0.882 0.989 0.25 0.00 H new ATOM 0 HG13 ILE A 57 -5.047 -0.930 2.361 0.25 0.00 H new ATOM 0 HG21 ILE A 57 -8.078 0.260 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.619 0.412 3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.028 1.044 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.863 -2.970 1.025 0.58 0.00 H new ATOM 0 HD12 ILE A 57 -5.492 -3.341 2.648 0.58 0.00 H new ATOM 0 HD13 ILE A 57 -6.598 -3.293 1.255 0.58 0.00 H new ATOM 896 N GLU A 58 -7.968 0.111 5.983 1.00 0.00 N ATOM 897 CA GLU A 58 -9.086 0.354 6.888 0.05 0.00 C ATOM 898 C GLU A 58 -9.925 1.538 6.412 0.28 0.00 C ATOM 899 O GLU A 58 -9.406 2.636 6.207 1.00 0.00 O ATOM 900 CB GLU A 58 -8.572 0.617 8.304 0.29 0.00 C ATOM 901 CG GLU A 58 -9.677 0.735 9.341 0.08 0.00 C ATOM 902 CD GLU A 58 -9.151 1.101 10.715 1.00 0.00 C ATOM 903 OE1 GLU A 58 -8.727 0.186 11.451 0.08 0.00 O ATOM 904 OE2 GLU A 58 -9.165 2.303 11.056 0.91 0.00 O ATOM 0 H GLU A 58 -7.275 0.859 5.959 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.716 -0.535 6.895 0.05 0.00 H new ATOM 0 HB2 GLU A 58 -7.899 -0.190 8.593 0.29 0.00 H new ATOM 0 HB3 GLU A 58 -7.986 1.536 8.304 0.29 0.00 H new ATOM 0 HG2 GLU A 58 -10.394 1.489 9.018 0.08 0.00 H new ATOM 0 HG3 GLU A 58 -10.215 -0.211 9.402 0.08 0.00 H new ATOM 911 N PHE A 59 -11.223 1.306 6.240 0.45 0.00 N ATOM 912 CA PHE A 59 -12.135 2.353 5.792 0.49 0.00 C ATOM 913 C PHE A 59 -12.968 2.882 6.954 0.21 0.00 C ATOM 914 O PHE A 59 -13.243 2.161 7.913 0.14 0.00 O ATOM 915 CB PHE A 59 -13.056 1.821 4.692 0.06 0.00 C ATOM 916 CG PHE A 59 -12.323 1.360 3.463 0.40 0.00 C ATOM 917 CD1 PHE A 59 -12.041 2.245 2.434 0.38 0.00 C ATOM 918 CD2 PHE A 59 -11.919 0.041 3.338 0.50 0.00 C ATOM 919 CE1 PHE A 59 -11.367 1.822 1.304 0.19 0.00 C ATOM 920 CE2 PHE A 59 -11.245 -0.388 2.209 1.00 0.00 C ATOM 921 CZ PHE A 59 -10.969 0.504 1.192 0.23 0.00 C ATOM 0 H PHE A 59 -11.667 0.402 6.404 0.45 0.00 H new ATOM 0 HA PHE A 59 -11.538 3.173 5.392 0.49 0.00 H new ATOM 0 HB2 PHE A 59 -13.640 0.991 5.089 0.06 0.00 H new ATOM 0 HB3 PHE A 59 -13.762 2.603 4.412 0.06 0.00 H new ATOM 0 HD1 PHE A 59 -12.351 3.276 2.516 0.38 0.00 H new ATOM 0 HD2 PHE A 59 -12.133 -0.660 4.131 0.50 0.00 H new ATOM 0 HE1 PHE A 59 -11.152 2.521 0.509 0.19 0.00 H new ATOM 0 HE2 PHE A 59 -10.935 -1.419 2.123 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.442 0.172 0.310 0.23 0.00 H new ATOM 931 N SER A 60 -13.366 4.149 6.862 0.93 0.00 N ATOM 932 CA SER A 60 -14.169 4.775 7.907 1.00 0.00 C ATOM 933 C SER A 60 -15.636 4.839 7.496 0.64 0.00 C ATOM 934 O SER A 60 -15.966 4.718 6.316 1.00 0.00 O ATOM 935 CB SER A 60 -13.645 6.180 8.208 0.12 0.00 C ATOM 936 OG SER A 60 -14.390 6.789 9.249 0.48 0.00 O ATOM 0 H SER A 60 -13.146 4.760 6.076 0.93 0.00 H new ATOM 0 HA SER A 60 -14.090 4.168 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.594 6.127 8.492 0.12 0.00 H new ATOM 0 HB3 SER A 60 -13.702 6.793 7.309 0.12 0.00 H new ATOM 0 HG SER A 60 -13.867 7.519 9.641 0.48 0.00 H new ATOM 942 N GLU A 61 -16.512 5.028 8.478 0.08 0.00 N ATOM 943 CA GLU A 61 -17.946 5.105 8.218 0.15 0.00 C ATOM 944 C GLU A 61 -18.366 6.534 7.891 0.77 0.00 C ATOM 945 O GLU A 61 -19.553 6.823 7.747 0.12 0.00 O ATOM 946 CB GLU A 61 -18.731 4.592 9.427 0.05 0.00 C ATOM 947 CG GLU A 61 -18.413 5.330 10.717 0.24 0.00 C ATOM 948 CD GLU A 61 -19.179 4.786 11.908 1.00 0.00 C ATOM 949 OE1 GLU A 61 -18.709 3.802 12.518 1.00 0.00 O ATOM 950 OE2 GLU A 61 -20.249 5.343 12.230 0.90 0.00 O ATOM 0 H GLU A 61 -16.255 5.131 9.460 0.08 0.00 H new ATOM 0 HA GLU A 61 -18.168 4.477 7.355 0.15 0.00 H new ATOM 0 HB2 GLU A 61 -19.798 4.681 9.221 0.05 0.00 H new ATOM 0 HB3 GLU A 61 -18.520 3.531 9.563 0.05 0.00 H new ATOM 0 HG2 GLU A 61 -17.344 5.261 10.916 0.24 0.00 H new ATOM 0 HG3 GLU A 61 -18.646 6.387 10.593 0.24 0.00 H new ATOM 957 N GLU A 62 -17.384 7.421 7.772 0.13 0.00 N ATOM 958 CA GLU A 62 -17.653 8.819 7.460 0.06 0.00 C ATOM 959 C GLU A 62 -18.257 8.959 6.067 0.13 0.00 C ATOM 960 O GLU A 62 -19.477 9.020 5.911 0.98 0.00 O ATOM 961 CB GLU A 62 -16.367 9.643 7.561 0.05 0.00 C ATOM 962 CG GLU A 62 -15.787 9.698 8.964 0.08 0.00 C ATOM 963 CD GLU A 62 -14.450 10.412 9.016 1.00 0.00 C ATOM 964 OE1 GLU A 62 -14.446 11.658 9.095 0.46 0.00 O ATOM 965 OE2 GLU A 62 -13.409 9.723 8.982 0.44 0.00 O ATOM 0 H GLU A 62 -16.396 7.197 7.887 0.13 0.00 H new ATOM 0 HA GLU A 62 -18.373 9.196 8.186 0.06 0.00 H new ATOM 0 HB2 GLU A 62 -15.622 9.222 6.885 0.05 0.00 H new ATOM 0 HB3 GLU A 62 -16.569 10.659 7.220 0.05 0.00 H new ATOM 0 HG2 GLU A 62 -16.491 10.205 9.624 0.08 0.00 H new ATOM 0 HG3 GLU A 62 -15.668 8.683 9.344 0.08 0.00 H new ATOM 972 N TYR A 63 -17.393 9.004 5.057 0.46 0.00 N ATOM 973 CA TYR A 63 -17.836 9.139 3.673 0.98 0.00 C ATOM 974 C TYR A 63 -16.875 8.422 2.726 0.21 0.00 C ATOM 975 O TYR A 63 -15.691 8.276 3.030 0.24 0.00 O ATOM 976 CB TYR A 63 -17.940 10.618 3.285 0.05 0.00 C ATOM 977 CG TYR A 63 -19.038 11.367 4.009 1.00 0.00 C ATOM 978 CD1 TYR A 63 -20.344 11.354 3.536 0.46 0.00 C ATOM 979 CD2 TYR A 63 -18.768 12.091 5.165 1.00 0.00 C ATOM 980 CE1 TYR A 63 -21.349 12.039 4.193 1.00 0.00 C ATOM 981 CE2 TYR A 63 -19.768 12.777 5.828 0.12 0.00 C ATOM 982 CZ TYR A 63 -21.056 12.748 5.338 0.13 0.00 C ATOM 983 OH TYR A 63 -22.053 13.431 5.993 1.00 0.00 O ATOM 0 H TYR A 63 -16.381 8.949 5.171 0.46 0.00 H new ATOM 0 HA TYR A 63 -18.821 8.680 3.587 0.98 0.00 H new ATOM 0 HB2 TYR A 63 -16.986 11.105 3.489 0.05 0.00 H new ATOM 0 HB3 TYR A 63 -18.112 10.690 2.211 0.05 0.00 H new ATOM 0 HD1 TYR A 63 -20.578 10.799 2.640 0.46 0.00 H new ATOM 0 HD2 TYR A 63 -17.760 12.118 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -22.359 12.019 3.811 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -19.541 13.333 6.726 0.12 0.00 H new ATOM 0 HH TYR A 63 -21.680 13.877 6.782 1.00 0.00 H new ATOM 993 N PRO A 64 -17.372 7.964 1.562 0.06 0.00 N ATOM 994 CA PRO A 64 -16.549 7.259 0.574 0.18 0.00 C ATOM 995 C PRO A 64 -15.502 8.172 -0.058 1.00 0.00 C ATOM 996 O PRO A 64 -14.591 7.706 -0.743 0.57 0.00 O ATOM 997 CB PRO A 64 -17.557 6.790 -0.485 0.06 0.00 C ATOM 998 CG PRO A 64 -18.905 6.965 0.134 0.63 0.00 C ATOM 999 CD PRO A 64 -18.767 8.090 1.115 0.10 0.00 C ATOM 0 HA PRO A 64 -15.988 6.442 1.028 0.18 0.00 H new ATOM 0 HB2 PRO A 64 -17.467 7.377 -1.399 0.06 0.00 H new ATOM 0 HB3 PRO A 64 -17.383 5.749 -0.757 0.06 0.00 H new ATOM 0 HG2 PRO A 64 -19.655 7.197 -0.623 0.63 0.00 H new ATOM 0 HG3 PRO A 64 -19.227 6.051 0.632 0.63 0.00 H new ATOM 0 HD2 PRO A 64 -18.957 9.057 0.650 0.10 0.00 H new ATOM 0 HD3 PRO A 64 -19.468 7.992 1.944 0.10 0.00 H new ATOM 1007 N ASN A 65 -15.638 9.475 0.175 0.06 0.00 N ATOM 1008 CA ASN A 65 -14.704 10.452 -0.376 1.00 0.00 C ATOM 1009 C ASN A 65 -13.613 10.803 0.630 0.51 0.00 C ATOM 1010 O ASN A 65 -12.515 11.209 0.247 0.12 0.00 O ATOM 1011 CB ASN A 65 -15.451 11.718 -0.801 0.42 0.00 C ATOM 1012 CG ASN A 65 -16.197 12.366 0.349 0.31 0.00 C ATOM 1013 OD1 ASN A 65 -17.370 12.077 0.583 0.18 0.00 O ATOM 1014 ND2 ASN A 65 -15.520 13.248 1.072 0.52 0.00 N ATOM 0 H ASN A 65 -16.385 9.878 0.741 0.06 0.00 H new ATOM 0 HA ASN A 65 -14.229 10.005 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.741 12.432 -1.218 0.42 0.00 H new ATOM 0 HB3 ASN A 65 -16.157 11.471 -1.594 0.42 0.00 H new ATOM 0 HD21 ASN A 65 -15.971 13.717 1.858 0.52 0.00 H new ATOM 0 HD22 ASN A 65 -14.549 13.457 0.842 0.52 0.00 H new ATOM 1021 N LYS A 66 -13.920 10.645 1.914 1.00 0.00 N ATOM 1022 CA LYS A 66 -12.962 10.945 2.973 1.00 0.00 C ATOM 1023 C LYS A 66 -11.667 10.156 2.774 0.09 0.00 C ATOM 1024 O LYS A 66 -11.681 9.071 2.191 0.56 0.00 O ATOM 1025 CB LYS A 66 -13.567 10.624 4.341 0.33 0.00 C ATOM 1026 CG LYS A 66 -14.659 11.594 4.765 0.70 0.00 C ATOM 1027 CD LYS A 66 -14.090 12.963 5.096 0.48 0.00 C ATOM 1028 CE LYS A 66 -15.189 13.958 5.430 0.41 0.00 C ATOM 1029 NZ LYS A 66 -16.065 14.234 4.257 0.27 0.00 N ATOM 0 H LYS A 66 -14.825 10.311 2.246 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.728 12.009 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.977 9.614 4.320 0.33 0.00 H new ATOM 0 HB3 LYS A 66 -12.775 10.631 5.090 0.33 0.00 H new ATOM 0 HG2 LYS A 66 -15.394 11.688 3.966 0.70 0.00 H new ATOM 0 HG3 LYS A 66 -15.183 11.197 5.634 0.70 0.00 H new ATOM 0 HD2 LYS A 66 -13.405 12.879 5.940 0.48 0.00 H new ATOM 0 HD3 LYS A 66 -13.510 13.331 4.250 0.48 0.00 H new ATOM 0 HE2 LYS A 66 -15.793 13.570 6.250 0.41 0.00 H new ATOM 0 HE3 LYS A 66 -14.742 14.890 5.776 0.41 0.00 H new ATOM 0 HZ1 LYS A 66 -16.811 14.904 4.531 0.27 0.00 H new ATOM 0 HZ2 LYS A 66 -15.497 14.644 3.488 0.27 0.00 H new ATOM 0 HZ3 LYS A 66 -16.499 13.347 3.931 0.27 0.00 H new ATOM 1043 N PRO A 67 -10.526 10.690 3.255 0.50 0.00 N ATOM 1044 CA PRO A 67 -9.227 10.023 3.118 0.20 0.00 C ATOM 1045 C PRO A 67 -9.197 8.666 3.821 0.47 0.00 C ATOM 1046 O PRO A 67 -9.503 8.574 5.011 0.99 0.00 O ATOM 1047 CB PRO A 67 -8.244 10.991 3.789 0.22 0.00 C ATOM 1048 CG PRO A 67 -9.084 11.865 4.655 1.00 0.00 C ATOM 1049 CD PRO A 67 -10.413 11.976 3.964 0.08 0.00 C ATOM 0 HA PRO A 67 -8.990 9.814 2.075 0.20 0.00 H new ATOM 0 HB2 PRO A 67 -7.501 10.452 4.377 0.22 0.00 H new ATOM 0 HB3 PRO A 67 -7.701 11.577 3.048 0.22 0.00 H new ATOM 0 HG2 PRO A 67 -9.196 11.436 5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.626 12.846 4.781 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.227 12.118 4.675 0.08 0.00 H new ATOM 0 HD3 PRO A 67 -10.441 12.820 3.275 0.08 0.00 H new ATOM 1057 N PRO A 68 -8.826 7.590 3.098 0.09 0.00 N ATOM 1058 CA PRO A 68 -8.764 6.242 3.674 0.06 0.00 C ATOM 1059 C PRO A 68 -7.575 6.066 4.610 1.00 0.00 C ATOM 1060 O PRO A 68 -6.865 7.023 4.920 0.20 0.00 O ATOM 1061 CB PRO A 68 -8.617 5.342 2.447 0.15 0.00 C ATOM 1062 CG PRO A 68 -7.938 6.197 1.436 0.96 0.00 C ATOM 1063 CD PRO A 68 -8.440 7.596 1.672 0.60 0.00 C ATOM 0 HA PRO A 68 -9.639 6.017 4.283 0.06 0.00 H new ATOM 0 HB2 PRO A 68 -8.028 4.453 2.675 0.15 0.00 H new ATOM 0 HB3 PRO A 68 -9.587 4.998 2.089 0.15 0.00 H new ATOM 0 HG2 PRO A 68 -6.855 6.147 1.547 0.96 0.00 H new ATOM 0 HG3 PRO A 68 -8.170 5.864 0.424 0.96 0.00 H new ATOM 0 HD2 PRO A 68 -7.668 8.339 1.469 0.60 0.00 H new ATOM 0 HD3 PRO A 68 -9.287 7.832 1.028 0.60 0.00 H new ATOM 1071 N THR A 69 -7.363 4.832 5.057 0.70 0.00 N ATOM 1072 CA THR A 69 -6.264 4.517 5.958 0.26 0.00 C ATOM 1073 C THR A 69 -5.500 3.301 5.457 0.43 0.00 C ATOM 1074 O THR A 69 -6.034 2.193 5.424 0.87 0.00 O ATOM 1075 CB THR A 69 -6.765 4.246 7.389 0.08 0.00 C ATOM 1076 OG1 THR A 69 -7.523 5.366 7.863 0.29 0.00 O ATOM 1077 CG2 THR A 69 -5.602 3.981 8.331 1.00 0.00 C ATOM 0 H THR A 69 -7.943 4.031 4.807 0.70 0.00 H new ATOM 0 HA THR A 69 -5.604 5.384 5.980 0.26 0.00 H new ATOM 0 HB THR A 69 -7.400 3.360 7.365 0.08 0.00 H new ATOM 0 HG1 THR A 69 -7.840 5.185 8.773 0.29 0.00 H new ATOM 0 HG21 THR A 69 -5.983 3.793 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.045 3.111 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.944 4.850 8.350 1.00 0.00 H new ATOM 1085 N VAL A 70 -4.251 3.508 5.063 1.00 0.00 N ATOM 1086 CA VAL A 70 -3.428 2.424 4.554 1.00 0.00 C ATOM 1087 C VAL A 70 -2.065 2.390 5.240 0.06 0.00 C ATOM 1088 O VAL A 70 -1.435 3.428 5.444 0.10 0.00 O ATOM 1089 CB VAL A 70 -3.233 2.551 3.031 0.14 0.00 C ATOM 1090 CG1 VAL A 70 -2.339 1.439 2.504 0.41 0.00 C ATOM 1091 CG2 VAL A 70 -4.576 2.543 2.318 0.65 0.00 C ATOM 0 H VAL A 70 -3.787 4.416 5.087 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.951 1.493 4.772 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.742 3.503 2.830 0.14 0.00 H new ATOM 0 HG11 VAL A 70 -2.217 1.550 1.427 0.41 0.00 H new ATOM 0 HG12 VAL A 70 -1.364 1.496 2.988 0.41 0.00 H new ATOM 0 HG13 VAL A 70 -2.795 0.473 2.719 0.41 0.00 H new ATOM 0 HG21 VAL A 70 -4.418 2.634 1.243 0.65 0.00 H new ATOM 0 HG22 VAL A 70 -5.095 1.609 2.531 0.65 0.00 H new ATOM 0 HG23 VAL A 70 -5.179 3.381 2.668 0.65 0.00 H new ATOM 1101 N ARG A 71 -1.621 1.187 5.593 0.48 0.00 N ATOM 1102 CA ARG A 71 -0.335 1.003 6.256 0.22 0.00 C ATOM 1103 C ARG A 71 0.070 -0.468 6.243 0.06 0.00 C ATOM 1104 O ARG A 71 -0.775 -1.356 6.357 0.19 0.00 O ATOM 1105 CB ARG A 71 -0.405 1.511 7.699 0.44 0.00 C ATOM 1106 CG ARG A 71 -1.501 0.853 8.519 0.53 0.00 C ATOM 1107 CD ARG A 71 -1.545 1.404 9.936 0.15 0.00 C ATOM 1108 NE ARG A 71 -1.778 2.846 9.955 0.75 0.00 N ATOM 1109 CZ ARG A 71 -2.116 3.524 11.047 0.23 0.00 C ATOM 1110 NH1 ARG A 71 -2.274 2.891 12.203 0.34 0.00 N ATOM 1111 NH2 ARG A 71 -2.299 4.835 10.985 0.06 0.00 N ATOM 0 H ARG A 71 -2.136 0.322 5.430 0.48 0.00 H new ATOM 0 HA ARG A 71 0.416 1.577 5.713 0.22 0.00 H new ATOM 0 HB2 ARG A 71 0.555 1.337 8.184 0.44 0.00 H new ATOM 0 HB3 ARG A 71 -0.567 2.589 7.689 0.44 0.00 H new ATOM 0 HG2 ARG A 71 -2.465 1.013 8.035 0.53 0.00 H new ATOM 0 HG3 ARG A 71 -1.336 -0.224 8.551 0.53 0.00 H new ATOM 0 HD2 ARG A 71 -2.334 0.902 10.496 0.15 0.00 H new ATOM 0 HD3 ARG A 71 -0.605 1.182 10.441 0.15 0.00 H new ATOM 0 HE ARG A 71 -1.676 3.362 9.081 0.75 0.00 H new ATOM 0 HH11 ARG A 71 -2.136 1.882 12.255 0.34 0.00 H new ATOM 0 HH12 ARG A 71 -2.533 3.414 13.039 0.34 0.00 H new ATOM 0 HH21 ARG A 71 -2.180 5.325 10.098 0.06 0.00 H new ATOM 0 HH22 ARG A 71 -2.558 5.354 11.824 0.06 0.00 H new ATOM 1125 N PHE A 72 1.369 -0.719 6.105 1.00 0.00 N ATOM 1126 CA PHE A 72 1.886 -2.083 6.074 0.95 0.00 C ATOM 1127 C PHE A 72 1.805 -2.736 7.451 0.49 0.00 C ATOM 1128 O PHE A 72 1.948 -2.068 8.476 0.10 0.00 O ATOM 1129 CB PHE A 72 3.335 -2.090 5.585 0.38 0.00 C ATOM 1130 CG PHE A 72 3.479 -1.883 4.104 0.40 0.00 C ATOM 1131 CD1 PHE A 72 3.337 -0.622 3.547 0.17 0.00 C ATOM 1132 CD2 PHE A 72 3.763 -2.951 3.270 0.52 0.00 C ATOM 1133 CE1 PHE A 72 3.477 -0.432 2.184 0.08 0.00 C ATOM 1134 CE2 PHE A 72 3.903 -2.767 1.909 0.15 0.00 C ATOM 1135 CZ PHE A 72 3.759 -1.507 1.365 0.52 0.00 C ATOM 0 H PHE A 72 2.082 0.004 6.013 1.00 0.00 H new ATOM 0 HA PHE A 72 1.268 -2.658 5.384 0.95 0.00 H new ATOM 0 HB2 PHE A 72 3.888 -1.309 6.107 0.38 0.00 H new ATOM 0 HB3 PHE A 72 3.795 -3.041 5.855 0.38 0.00 H new ATOM 0 HD1 PHE A 72 3.115 0.221 4.184 0.17 0.00 H new ATOM 0 HD2 PHE A 72 3.876 -3.940 3.689 0.52 0.00 H new ATOM 0 HE1 PHE A 72 3.366 0.556 1.761 0.08 0.00 H new ATOM 0 HE2 PHE A 72 4.125 -3.609 1.270 0.15 0.00 H new ATOM 0 HZ PHE A 72 3.867 -1.362 0.300 0.52 0.00 H new ATOM 1145 N LEU A 73 1.576 -4.046 7.464 1.00 0.00 N ATOM 1146 CA LEU A 73 1.487 -4.796 8.712 0.05 0.00 C ATOM 1147 C LEU A 73 2.868 -5.273 9.147 0.12 0.00 C ATOM 1148 O LEU A 73 3.185 -5.293 10.336 0.06 0.00 O ATOM 1149 CB LEU A 73 0.551 -5.998 8.553 1.00 0.00 C ATOM 1150 CG LEU A 73 -0.923 -5.650 8.337 1.00 0.00 C ATOM 1151 CD1 LEU A 73 -1.723 -6.902 8.018 1.00 0.00 C ATOM 1152 CD2 LEU A 73 -1.491 -4.951 9.565 0.05 0.00 C ATOM 0 H LEU A 73 1.449 -4.610 6.624 1.00 0.00 H new ATOM 0 HA LEU A 73 1.083 -4.133 9.477 0.05 0.00 H new ATOM 0 HB2 LEU A 73 0.894 -6.597 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.634 -6.623 9.442 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.997 -4.969 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.769 -6.637 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.331 -7.363 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.643 -7.606 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.540 -4.711 9.394 0.05 0.00 H new ATOM 0 HD22 LEU A 73 -1.406 -5.609 10.430 0.05 0.00 H new ATOM 0 HD23 LEU A 73 -0.934 -4.033 9.751 0.05 0.00 H new ATOM 1164 N SER A 74 3.682 -5.659 8.170 0.07 0.00 N ATOM 1165 CA SER A 74 5.033 -6.137 8.446 0.23 0.00 C ATOM 1166 C SER A 74 6.029 -4.982 8.424 0.14 0.00 C ATOM 1167 O SER A 74 5.898 -4.052 7.628 0.19 0.00 O ATOM 1168 CB SER A 74 5.441 -7.198 7.424 0.70 0.00 C ATOM 1169 OG SER A 74 4.576 -8.318 7.475 0.10 0.00 O ATOM 0 H SER A 74 3.431 -5.650 7.181 0.07 0.00 H new ATOM 0 HA SER A 74 5.040 -6.583 9.441 0.23 0.00 H new ATOM 0 HB2 SER A 74 5.424 -6.768 6.423 0.70 0.00 H new ATOM 0 HB3 SER A 74 6.465 -7.517 7.617 0.70 0.00 H new ATOM 0 HG SER A 74 4.859 -8.980 6.810 0.10 0.00 H new ATOM 1175 N LYS A 75 7.024 -5.050 9.304 0.91 0.00 N ATOM 1176 CA LYS A 75 8.043 -4.008 9.388 0.27 0.00 C ATOM 1177 C LYS A 75 8.732 -3.807 8.042 0.23 0.00 C ATOM 1178 O LYS A 75 9.248 -4.754 7.448 1.00 0.00 O ATOM 1179 CB LYS A 75 9.077 -4.361 10.459 0.13 0.00 C ATOM 1180 CG LYS A 75 10.212 -3.354 10.568 0.66 0.00 C ATOM 1181 CD LYS A 75 11.106 -3.639 11.763 0.34 0.00 C ATOM 1182 CE LYS A 75 10.416 -3.301 13.075 0.96 0.00 C ATOM 1183 NZ LYS A 75 11.322 -3.478 14.242 0.24 0.00 N ATOM 0 H LYS A 75 7.146 -5.814 9.968 0.91 0.00 H new ATOM 0 HA LYS A 75 7.550 -3.076 9.663 0.27 0.00 H new ATOM 0 HB2 LYS A 75 8.576 -4.437 11.424 0.13 0.00 H new ATOM 0 HB3 LYS A 75 9.495 -5.343 10.239 0.13 0.00 H new ATOM 0 HG2 LYS A 75 10.807 -3.377 9.655 0.66 0.00 H new ATOM 0 HG3 LYS A 75 9.799 -2.349 10.654 0.66 0.00 H new ATOM 0 HD2 LYS A 75 11.390 -4.691 11.762 0.34 0.00 H new ATOM 0 HD3 LYS A 75 12.026 -3.060 11.676 0.34 0.00 H new ATOM 0 HE2 LYS A 75 10.062 -2.271 13.044 0.96 0.00 H new ATOM 0 HE3 LYS A 75 9.539 -3.936 13.197 0.96 0.00 H new ATOM 0 HZ1 LYS A 75 10.813 -3.237 15.116 0.24 0.00 H new ATOM 0 HZ2 LYS A 75 11.640 -4.467 14.288 0.24 0.00 H new ATOM 0 HZ3 LYS A 75 12.147 -2.853 14.139 0.24 0.00 H new ATOM 1197 N MET A 76 8.734 -2.565 7.567 1.00 0.00 N ATOM 1198 CA MET A 76 9.359 -2.233 6.293 0.11 0.00 C ATOM 1199 C MET A 76 10.126 -0.919 6.391 0.58 0.00 C ATOM 1200 O MET A 76 9.933 -0.147 7.329 0.72 0.00 O ATOM 1201 CB MET A 76 8.301 -2.147 5.189 0.94 0.00 C ATOM 1202 CG MET A 76 7.125 -1.243 5.533 0.12 0.00 C ATOM 1203 SD MET A 76 7.540 0.512 5.444 0.92 0.00 S ATOM 1204 CE MET A 76 5.984 1.257 5.922 1.00 0.00 C ATOM 0 H MET A 76 8.309 -1.772 8.047 1.00 0.00 H new ATOM 0 HA MET A 76 10.066 -3.024 6.044 0.11 0.00 H new ATOM 0 HB2 MET A 76 8.772 -1.783 4.275 0.94 0.00 H new ATOM 0 HB3 MET A 76 7.927 -3.149 4.978 0.94 0.00 H new ATOM 0 HG2 MET A 76 6.301 -1.452 4.851 0.12 0.00 H new ATOM 0 HG3 MET A 76 6.774 -1.478 6.538 0.12 0.00 H new ATOM 0 HE1 MET A 76 6.083 2.342 5.914 1.00 0.00 H new ATOM 0 HE2 MET A 76 5.206 0.958 5.219 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.714 0.925 6.924 1.00 0.00 H new ATOM 1214 N PHE A 77 10.995 -0.672 5.417 0.24 0.00 N ATOM 1215 CA PHE A 77 11.791 0.549 5.397 1.00 0.00 C ATOM 1216 C PHE A 77 11.860 1.128 3.987 0.16 0.00 C ATOM 1217 O PHE A 77 12.418 0.510 3.079 0.45 0.00 O ATOM 1218 CB PHE A 77 13.202 0.267 5.918 0.26 0.00 C ATOM 1219 CG PHE A 77 14.040 1.501 6.100 0.16 0.00 C ATOM 1220 CD1 PHE A 77 14.827 1.980 5.067 0.17 0.00 C ATOM 1221 CD2 PHE A 77 14.040 2.179 7.308 0.17 0.00 C ATOM 1222 CE1 PHE A 77 15.599 3.114 5.233 0.21 0.00 C ATOM 1223 CE2 PHE A 77 14.810 3.313 7.482 1.00 0.00 C ATOM 1224 CZ PHE A 77 15.591 3.780 6.441 1.00 0.00 C ATOM 0 H PHE A 77 11.166 -1.300 4.632 0.24 0.00 H new ATOM 0 HA PHE A 77 11.311 1.281 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 77 13.129 -0.255 6.872 0.26 0.00 H new ATOM 0 HB3 PHE A 77 13.708 -0.405 5.225 0.26 0.00 H new ATOM 0 HD1 PHE A 77 14.838 1.461 4.120 0.17 0.00 H new ATOM 0 HD2 PHE A 77 13.431 1.817 8.123 0.17 0.00 H new ATOM 0 HE1 PHE A 77 16.208 3.478 4.418 0.21 0.00 H new ATOM 0 HE2 PHE A 77 14.802 3.833 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.194 4.666 6.574 1.00 0.00 H new ATOM 1234 N HIS A 78 11.291 2.317 3.808 0.64 0.00 N ATOM 1235 CA HIS A 78 11.291 2.976 2.505 0.77 0.00 C ATOM 1236 C HIS A 78 11.788 4.415 2.624 0.34 0.00 C ATOM 1237 O HIS A 78 11.710 5.015 3.697 0.25 0.00 O ATOM 1238 CB HIS A 78 9.885 2.956 1.903 0.79 0.00 C ATOM 1239 CG HIS A 78 9.343 1.576 1.695 1.00 0.00 C ATOM 1240 ND1 HIS A 78 8.323 1.031 2.442 0.11 0.00 N ATOM 1241 CD2 HIS A 78 9.698 0.623 0.795 1.00 0.00 C ATOM 1242 CE1 HIS A 78 8.094 -0.207 1.985 0.06 0.00 C ATOM 1243 NE2 HIS A 78 8.902 -0.503 0.984 0.85 0.00 N ATOM 0 H HIS A 78 10.825 2.843 4.547 0.64 0.00 H new ATOM 0 HA HIS A 78 11.968 2.431 1.847 0.77 0.00 H new ATOM 0 HB2 HIS A 78 9.210 3.508 2.558 0.79 0.00 H new ATOM 0 HB3 HIS A 78 9.900 3.479 0.947 0.79 0.00 H new ATOM 0 HD1 HIS A 78 7.829 1.489 3.208 0.11 0.00 H new ATOM 0 HD2 HIS A 78 10.474 0.723 0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 78 7.346 -0.876 2.384 0.06 0.00 H new ATOM 1251 N PRO A 79 12.310 4.992 1.522 1.00 0.00 N ATOM 1252 CA PRO A 79 12.817 6.368 1.524 0.36 0.00 C ATOM 1253 C PRO A 79 11.743 7.371 1.929 0.92 0.00 C ATOM 1254 O PRO A 79 12.047 8.502 2.308 0.16 0.00 O ATOM 1255 CB PRO A 79 13.250 6.605 0.074 0.12 0.00 C ATOM 1256 CG PRO A 79 13.431 5.243 -0.507 0.07 0.00 C ATOM 1257 CD PRO A 79 12.445 4.357 0.200 1.00 0.00 C ATOM 0 HA PRO A 79 13.626 6.500 2.243 0.36 0.00 H new ATOM 0 HB2 PRO A 79 12.497 7.170 -0.475 0.12 0.00 H new ATOM 0 HB3 PRO A 79 14.175 7.179 0.028 0.12 0.00 H new ATOM 0 HG2 PRO A 79 13.249 5.250 -1.582 0.07 0.00 H new ATOM 0 HG3 PRO A 79 14.451 4.888 -0.359 0.07 0.00 H new ATOM 0 HD2 PRO A 79 11.491 4.316 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 79 12.809 3.333 0.280 1.00 0.00 H new ATOM 1265 N ASN A 80 10.484 6.948 1.845 1.00 0.00 N ATOM 1266 CA ASN A 80 9.365 7.804 2.211 0.06 0.00 C ATOM 1267 C ASN A 80 8.361 7.038 3.066 0.18 0.00 C ATOM 1268 O ASN A 80 7.769 6.056 2.615 0.31 0.00 O ATOM 1269 CB ASN A 80 8.674 8.339 0.955 0.52 0.00 C ATOM 1270 CG ASN A 80 9.640 9.030 0.012 0.05 0.00 C ATOM 1271 OD1 ASN A 80 10.235 8.396 -0.858 1.00 0.00 O ATOM 1272 ND2 ASN A 80 9.794 10.338 0.179 0.36 0.00 N ATOM 0 H ASN A 80 10.216 6.017 1.526 1.00 0.00 H new ATOM 0 HA ASN A 80 9.751 8.643 2.790 0.06 0.00 H new ATOM 0 HB2 ASN A 80 8.188 7.515 0.433 0.52 0.00 H new ATOM 0 HB3 ASN A 80 7.891 9.039 1.245 0.52 0.00 H new ATOM 0 HD21 ASN A 80 10.427 10.859 -0.428 0.36 0.00 H new ATOM 0 HD22 ASN A 80 9.279 10.822 0.914 0.36 0.00 H new ATOM 1279 N VAL A 81 8.165 7.507 4.295 1.00 0.00 N ATOM 1280 CA VAL A 81 7.234 6.877 5.228 0.29 0.00 C ATOM 1281 C VAL A 81 6.706 7.897 6.234 1.00 0.00 C ATOM 1282 O VAL A 81 7.479 8.523 6.958 0.09 0.00 O ATOM 1283 CB VAL A 81 7.896 5.710 6.001 0.12 0.00 C ATOM 1284 CG1 VAL A 81 6.975 5.200 7.099 0.10 0.00 C ATOM 1285 CG2 VAL A 81 8.279 4.578 5.060 0.56 0.00 C ATOM 0 H VAL A 81 8.642 8.327 4.670 1.00 0.00 H new ATOM 0 HA VAL A 81 6.411 6.481 4.633 0.29 0.00 H new ATOM 0 HB VAL A 81 8.807 6.090 6.463 0.12 0.00 H new ATOM 0 HG11 VAL A 81 7.460 4.380 7.629 0.10 0.00 H new ATOM 0 HG12 VAL A 81 6.760 6.008 7.798 0.10 0.00 H new ATOM 0 HG13 VAL A 81 6.044 4.846 6.657 0.10 0.00 H new ATOM 0 HG21 VAL A 81 8.742 3.772 5.630 0.56 0.00 H new ATOM 0 HG22 VAL A 81 7.386 4.203 4.560 0.56 0.00 H new ATOM 0 HG23 VAL A 81 8.984 4.947 4.315 0.56 0.00 H new ATOM 1295 N TYR A 82 5.387 8.059 6.275 0.51 0.00 N ATOM 1296 CA TYR A 82 4.761 9.001 7.197 1.00 0.00 C ATOM 1297 C TYR A 82 4.958 8.560 8.646 0.73 0.00 C ATOM 1298 O TYR A 82 5.524 7.500 8.912 0.69 0.00 O ATOM 1299 CB TYR A 82 3.267 9.138 6.895 1.00 0.00 C ATOM 1300 CG TYR A 82 2.971 9.894 5.619 0.58 0.00 C ATOM 1301 CD1 TYR A 82 3.312 11.235 5.488 0.08 0.00 C ATOM 1302 CD2 TYR A 82 2.348 9.268 4.547 1.00 0.00 C ATOM 1303 CE1 TYR A 82 3.041 11.930 4.325 1.00 0.00 C ATOM 1304 CE2 TYR A 82 2.074 9.956 3.380 1.00 0.00 C ATOM 1305 CZ TYR A 82 2.422 11.285 3.275 0.14 0.00 C ATOM 1306 OH TYR A 82 2.150 11.974 2.115 0.13 0.00 O ATOM 0 H TYR A 82 4.732 7.551 5.681 0.51 0.00 H new ATOM 0 HA TYR A 82 5.241 9.970 7.060 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.826 8.143 6.828 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.782 9.646 7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.797 11.742 6.309 0.08 0.00 H new ATOM 0 HD2 TYR A 82 2.073 8.227 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.312 12.972 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.590 9.455 2.555 1.00 0.00 H new ATOM 0 HH TYR A 82 1.713 11.375 1.474 0.13 0.00 H new ATOM 1316 N ALA A 83 4.486 9.385 9.578 0.71 0.00 N ATOM 1317 CA ALA A 83 4.608 9.082 11.000 1.00 0.00 C ATOM 1318 C ALA A 83 3.733 7.897 11.388 1.00 0.00 C ATOM 1319 O ALA A 83 4.089 7.114 12.270 0.19 0.00 O ATOM 1320 CB ALA A 83 4.243 10.305 11.830 1.00 0.00 C ATOM 0 H ALA A 83 4.016 10.267 9.373 0.71 0.00 H new ATOM 0 HA ALA A 83 5.645 8.813 11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.338 10.067 12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.914 11.127 11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.215 10.598 11.614 1.00 0.00 H new ATOM 1326 N ASP A 84 2.589 7.772 10.726 0.17 0.00 N ATOM 1327 CA ASP A 84 1.660 6.681 11.001 0.11 0.00 C ATOM 1328 C ASP A 84 1.988 5.458 10.151 0.17 0.00 C ATOM 1329 O ASP A 84 1.239 4.481 10.135 1.00 0.00 O ATOM 1330 CB ASP A 84 0.223 7.131 10.735 0.05 0.00 C ATOM 1331 CG ASP A 84 -0.175 8.324 11.581 0.13 0.00 C ATOM 1332 OD1 ASP A 84 0.086 9.468 11.155 0.11 0.00 O ATOM 1333 OD2 ASP A 84 -0.751 8.114 12.670 0.47 0.00 O ATOM 0 H ASP A 84 2.282 8.413 9.994 0.17 0.00 H new ATOM 0 HA ASP A 84 1.760 6.407 12.051 0.11 0.00 H new ATOM 0 HB2 ASP A 84 0.114 7.384 9.680 0.05 0.00 H new ATOM 0 HB3 ASP A 84 -0.457 6.303 10.936 0.05 0.00 H new ATOM 1338 N GLY A 85 3.115 5.518 9.448 0.56 0.00 N ATOM 1339 CA GLY A 85 3.527 4.411 8.605 1.00 0.00 C ATOM 1340 C GLY A 85 2.779 4.373 7.287 0.06 0.00 C ATOM 1341 O GLY A 85 2.956 3.452 6.492 0.13 0.00 O ATOM 0 H GLY A 85 3.751 6.315 9.448 0.56 0.00 H new ATOM 0 HA2 GLY A 85 4.597 4.486 8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.365 3.474 9.138 1.00 0.00 H new ATOM 1345 N SER A 86 1.940 5.378 7.057 0.12 0.00 N ATOM 1346 CA SER A 86 1.162 5.459 5.827 0.82 0.00 C ATOM 1347 C SER A 86 2.077 5.600 4.614 0.09 0.00 C ATOM 1348 O SER A 86 3.227 6.023 4.738 0.29 0.00 O ATOM 1349 CB SER A 86 0.190 6.639 5.887 1.00 0.00 C ATOM 1350 OG SER A 86 -0.694 6.515 6.988 0.53 0.00 O ATOM 0 H SER A 86 1.782 6.148 7.707 0.12 0.00 H new ATOM 0 HA SER A 86 0.593 4.535 5.726 0.82 0.00 H new ATOM 0 HB2 SER A 86 0.749 7.571 5.968 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.382 6.690 4.961 1.00 0.00 H new ATOM 0 HG SER A 86 -1.304 7.282 7.006 0.53 0.00 H new ATOM 1356 N ILE A 87 1.558 5.242 3.445 0.12 0.00 N ATOM 1357 CA ILE A 87 2.329 5.325 2.210 0.14 0.00 C ATOM 1358 C ILE A 87 2.135 6.679 1.535 1.00 0.00 C ATOM 1359 O ILE A 87 1.019 7.193 1.461 0.21 0.00 O ATOM 1360 CB ILE A 87 1.941 4.206 1.222 0.37 0.00 C ATOM 1361 CG1 ILE A 87 2.217 2.829 1.831 1.00 0.00 C ATOM 1362 CG2 ILE A 87 2.694 4.360 -0.091 0.67 0.00 C ATOM 1363 CD1 ILE A 87 1.136 2.354 2.778 0.07 0.00 C ATOM 0 H ILE A 87 0.607 4.892 3.326 0.12 0.00 H new ATOM 0 HA ILE A 87 3.377 5.203 2.483 0.14 0.00 H new ATOM 0 HB ILE A 87 0.873 4.290 1.020 0.37 0.00 H new ATOM 0 HG12 ILE A 87 2.328 2.102 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.167 2.862 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.405 3.560 -0.772 0.67 0.00 H new ATOM 0 HG22 ILE A 87 2.451 5.324 -0.539 0.67 0.00 H new ATOM 0 HG23 ILE A 87 3.766 4.307 0.096 0.67 0.00 H new ATOM 0 HD11 ILE A 87 1.401 1.372 3.170 0.07 0.00 H new ATOM 0 HD12 ILE A 87 1.039 3.060 3.603 0.07 0.00 H new ATOM 0 HD13 ILE A 87 0.188 2.288 2.244 0.07 0.00 H new ATOM 1375 N CYS A 88 3.231 7.253 1.044 1.00 0.00 N ATOM 1376 CA CYS A 88 3.181 8.546 0.372 0.15 0.00 C ATOM 1377 C CYS A 88 2.729 8.387 -1.074 1.00 0.00 C ATOM 1378 O CYS A 88 3.493 7.938 -1.929 0.28 0.00 O ATOM 1379 CB CYS A 88 4.552 9.224 0.419 0.18 0.00 C ATOM 1380 SG CYS A 88 5.198 9.472 2.089 0.14 0.00 S ATOM 0 H CYS A 88 4.163 6.842 1.100 1.00 0.00 H new ATOM 0 HA CYS A 88 2.458 9.172 0.895 0.15 0.00 H new ATOM 0 HB2 CYS A 88 5.262 8.622 -0.148 0.18 0.00 H new ATOM 0 HB3 CYS A 88 4.484 10.191 -0.080 0.18 0.00 H new ATOM 0 HG CYS A 88 4.238 9.865 2.872 0.14 0.00 H new ATOM 1386 N LEU A 89 1.479 8.754 -1.341 0.11 0.00 N ATOM 1387 CA LEU A 89 0.924 8.651 -2.685 1.00 0.00 C ATOM 1388 C LEU A 89 0.177 9.925 -3.065 0.05 0.00 C ATOM 1389 O LEU A 89 -0.473 10.550 -2.226 1.00 0.00 O ATOM 1390 CB LEU A 89 -0.016 7.447 -2.779 0.23 0.00 C ATOM 1391 CG LEU A 89 0.207 6.532 -3.988 0.13 0.00 C ATOM 1392 CD1 LEU A 89 0.037 7.305 -5.287 0.14 0.00 C ATOM 1393 CD2 LEU A 89 1.584 5.888 -3.923 1.00 0.00 C ATOM 0 H LEU A 89 0.833 9.125 -0.645 0.11 0.00 H new ATOM 0 HA LEU A 89 1.750 8.515 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.090 6.853 -1.871 0.23 0.00 H new ATOM 0 HB3 LEU A 89 -1.043 7.811 -2.804 0.23 0.00 H new ATOM 0 HG LEU A 89 -0.543 5.742 -3.962 0.13 0.00 H new ATOM 0 HD11 LEU A 89 0.200 6.636 -6.132 0.14 0.00 H new ATOM 0 HD12 LEU A 89 -0.972 7.715 -5.337 0.14 0.00 H new ATOM 0 HD13 LEU A 89 0.761 8.119 -5.324 0.14 0.00 H new ATOM 0 HD21 LEU A 89 1.725 5.242 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.349 6.664 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.666 5.296 -3.012 1.00 0.00 H new ATOM 1405 N ASP A 90 0.277 10.307 -4.333 0.25 0.00 N ATOM 1406 CA ASP A 90 -0.388 11.506 -4.828 0.52 0.00 C ATOM 1407 C ASP A 90 -1.902 11.326 -4.841 0.06 0.00 C ATOM 1408 O ASP A 90 -2.653 12.302 -4.827 0.80 0.00 O ATOM 1409 CB ASP A 90 0.110 11.842 -6.234 1.00 0.00 C ATOM 1410 CG ASP A 90 -0.445 13.155 -6.749 0.07 0.00 C ATOM 1411 OD1 ASP A 90 0.163 14.208 -6.465 1.00 0.00 O ATOM 1412 OD2 ASP A 90 -1.490 13.131 -7.432 1.00 0.00 O ATOM 0 H ASP A 90 0.814 9.802 -5.038 0.25 0.00 H new ATOM 0 HA ASP A 90 -0.147 12.329 -4.156 0.52 0.00 H new ATOM 0 HB2 ASP A 90 1.199 11.889 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.171 11.040 -6.917 1.00 0.00 H new ATOM 1417 N ILE A 91 -2.345 10.073 -4.866 0.16 0.00 N ATOM 1418 CA ILE A 91 -3.769 9.763 -4.884 1.00 0.00 C ATOM 1419 C ILE A 91 -4.424 10.109 -3.547 0.33 0.00 C ATOM 1420 O ILE A 91 -5.648 10.157 -3.435 0.07 0.00 O ATOM 1421 CB ILE A 91 -4.015 8.274 -5.204 0.21 0.00 C ATOM 1422 CG1 ILE A 91 -5.495 8.028 -5.510 1.00 0.00 C ATOM 1423 CG2 ILE A 91 -3.552 7.396 -4.049 1.00 0.00 C ATOM 1424 CD1 ILE A 91 -5.793 6.619 -5.982 1.00 0.00 C ATOM 0 H ILE A 91 -1.736 9.255 -4.874 0.16 0.00 H new ATOM 0 HA ILE A 91 -4.219 10.371 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.434 8.011 -6.088 0.21 0.00 H new ATOM 0 HG12 ILE A 91 -6.081 8.233 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.821 8.734 -6.273 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.733 6.349 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.486 7.550 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.105 7.660 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.860 6.519 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.235 6.416 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.499 5.907 -5.211 1.00 0.00 H new ATOM 1436 N LEU A 92 -3.592 10.353 -2.537 0.48 0.00 N ATOM 1437 CA LEU A 92 -4.078 10.693 -1.205 0.46 0.00 C ATOM 1438 C LEU A 92 -4.642 12.111 -1.172 1.00 0.00 C ATOM 1439 O LEU A 92 -5.495 12.432 -0.342 0.07 0.00 O ATOM 1440 CB LEU A 92 -2.946 10.553 -0.184 0.05 0.00 C ATOM 1441 CG LEU A 92 -3.293 10.983 1.243 0.10 0.00 C ATOM 1442 CD1 LEU A 92 -4.379 10.092 1.824 0.16 0.00 C ATOM 1443 CD2 LEU A 92 -2.050 10.954 2.120 0.73 0.00 C ATOM 0 H LEU A 92 -2.576 10.321 -2.618 0.48 0.00 H new ATOM 0 HA LEU A 92 -4.881 10.003 -0.948 0.46 0.00 H new ATOM 0 HB2 LEU A 92 -2.625 9.512 -0.164 0.05 0.00 H new ATOM 0 HB3 LEU A 92 -2.096 11.143 -0.526 0.05 0.00 H new ATOM 0 HG LEU A 92 -3.673 12.004 1.213 0.10 0.00 H new ATOM 0 HD11 LEU A 92 -4.610 10.415 2.839 0.16 0.00 H new ATOM 0 HD12 LEU A 92 -5.275 10.162 1.208 0.16 0.00 H new ATOM 0 HD13 LEU A 92 -4.031 9.059 1.843 0.16 0.00 H new ATOM 0 HD21 LEU A 92 -2.312 11.262 3.132 0.73 0.00 H new ATOM 0 HD22 LEU A 92 -1.644 9.943 2.142 0.73 0.00 H new ATOM 0 HD23 LEU A 92 -1.303 11.636 1.715 0.73 0.00 H new ATOM 1455 N GLN A 93 -4.163 12.957 -2.079 0.43 0.00 N ATOM 1456 CA GLN A 93 -4.620 14.339 -2.148 0.69 0.00 C ATOM 1457 C GLN A 93 -6.033 14.421 -2.724 0.99 0.00 C ATOM 1458 O GLN A 93 -6.746 13.421 -2.794 0.39 0.00 O ATOM 1459 CB GLN A 93 -3.657 15.180 -2.991 0.16 0.00 C ATOM 1460 CG GLN A 93 -2.363 15.528 -2.269 1.00 0.00 C ATOM 1461 CD GLN A 93 -1.553 14.302 -1.892 0.58 0.00 C ATOM 1462 OE1 GLN A 93 -0.698 13.852 -2.654 0.59 0.00 O ATOM 1463 NE2 GLN A 93 -1.821 13.756 -0.711 0.07 0.00 N ATOM 0 H GLN A 93 -3.460 12.709 -2.775 0.43 0.00 H new ATOM 0 HA GLN A 93 -4.640 14.737 -1.134 0.69 0.00 H new ATOM 0 HB2 GLN A 93 -3.419 14.637 -3.906 0.16 0.00 H new ATOM 0 HB3 GLN A 93 -4.157 16.102 -3.288 0.16 0.00 H new ATOM 0 HG2 GLN A 93 -1.760 16.175 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.596 16.095 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.539 14.164 -0.112 0.07 0.00 H new ATOM 0 HE22 GLN A 93 -1.309 12.929 -0.403 0.07 0.00 H new ATOM 1472 N ASN A 94 -6.425 15.624 -3.134 1.00 0.00 N ATOM 1473 CA ASN A 94 -7.751 15.855 -3.699 0.82 0.00 C ATOM 1474 C ASN A 94 -7.919 15.156 -5.045 0.11 0.00 C ATOM 1475 O ASN A 94 -8.980 15.240 -5.666 0.49 0.00 O ATOM 1476 CB ASN A 94 -8.000 17.354 -3.858 1.00 0.00 C ATOM 1477 CG ASN A 94 -7.934 18.094 -2.535 0.61 0.00 C ATOM 1478 OD1 ASN A 94 -8.258 17.541 -1.485 0.07 0.00 O ATOM 1479 ND2 ASN A 94 -7.513 19.351 -2.582 1.00 0.00 N ATOM 0 H ASN A 94 -5.840 16.458 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.483 15.435 -3.009 0.82 0.00 H new ATOM 0 HB2 ASN A 94 -7.262 17.772 -4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.979 17.511 -4.311 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.448 19.899 -1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.255 19.769 -3.476 1.00 0.00 H new ATOM 1486 N ARG A 95 -6.874 14.468 -5.496 0.14 0.00 N ATOM 1487 CA ARG A 95 -6.920 13.767 -6.773 1.00 0.00 C ATOM 1488 C ARG A 95 -7.808 12.527 -6.685 0.13 0.00 C ATOM 1489 O ARG A 95 -8.105 11.893 -7.697 0.18 0.00 O ATOM 1490 CB ARG A 95 -5.509 13.365 -7.213 0.40 0.00 C ATOM 1491 CG ARG A 95 -5.444 12.838 -8.637 0.25 0.00 C ATOM 1492 CD ARG A 95 -4.020 12.506 -9.053 1.00 0.00 C ATOM 1493 NE ARG A 95 -3.948 12.052 -10.440 0.30 0.00 N ATOM 1494 CZ ARG A 95 -2.814 11.733 -11.057 0.63 0.00 C ATOM 1495 NH1 ARG A 95 -1.658 11.804 -10.409 0.33 0.00 N ATOM 1496 NH2 ARG A 95 -2.835 11.342 -12.324 1.00 0.00 N ATOM 0 H ARG A 95 -5.988 14.382 -4.997 0.14 0.00 H new ATOM 0 HA ARG A 95 -7.345 14.446 -7.513 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -4.849 14.228 -7.123 0.40 0.00 H new ATOM 0 HB3 ARG A 95 -5.129 12.602 -6.534 0.40 0.00 H new ATOM 0 HG2 ARG A 95 -6.065 11.946 -8.723 0.25 0.00 H new ATOM 0 HG3 ARG A 95 -5.858 13.581 -9.319 0.25 0.00 H new ATOM 0 HD2 ARG A 95 -3.390 13.387 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.621 11.732 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 95 -4.819 11.975 -10.966 0.30 0.00 H new ATOM 0 HH11 ARG A 95 -1.637 12.104 -9.434 0.33 0.00 H new ATOM 0 HH12 ARG A 95 -0.790 11.558 -10.886 0.33 0.00 H new ATOM 0 HH21 ARG A 95 -3.721 11.286 -12.826 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.965 11.097 -12.797 1.00 0.00 H new ATOM 1510 N TRP A 96 -8.234 12.192 -5.472 1.00 0.00 N ATOM 1511 CA TRP A 96 -9.090 11.030 -5.260 0.09 0.00 C ATOM 1512 C TRP A 96 -10.494 11.282 -5.803 1.00 0.00 C ATOM 1513 O TRP A 96 -10.986 12.410 -5.780 0.28 0.00 O ATOM 1514 CB TRP A 96 -9.160 10.679 -3.772 0.10 0.00 C ATOM 1515 CG TRP A 96 -10.106 9.556 -3.468 0.80 0.00 C ATOM 1516 CD1 TRP A 96 -11.227 9.617 -2.692 0.39 0.00 C ATOM 1517 CD2 TRP A 96 -10.019 8.206 -3.942 0.05 0.00 C ATOM 1518 NE1 TRP A 96 -11.840 8.388 -2.649 0.19 0.00 N ATOM 1519 CE2 TRP A 96 -11.118 7.505 -3.409 0.11 0.00 C ATOM 1520 CE3 TRP A 96 -9.119 7.522 -4.765 1.00 0.00 C ATOM 1521 CZ2 TRP A 96 -11.340 6.155 -3.674 0.07 0.00 C ATOM 1522 CZ3 TRP A 96 -9.340 6.183 -5.025 1.00 0.00 C ATOM 1523 CH2 TRP A 96 -10.443 5.512 -4.481 0.23 0.00 C ATOM 0 H TRP A 96 -8.002 12.707 -4.623 1.00 0.00 H new ATOM 0 HA TRP A 96 -8.655 10.189 -5.801 0.09 0.00 H new ATOM 0 HB2 TRP A 96 -8.163 10.409 -3.423 0.10 0.00 H new ATOM 0 HB3 TRP A 96 -9.465 11.563 -3.212 0.10 0.00 H new ATOM 0 HD1 TRP A 96 -11.581 10.503 -2.185 0.39 0.00 H new ATOM 0 HE1 TRP A 96 -12.693 8.169 -2.135 0.19 0.00 H new ATOM 0 HE3 TRP A 96 -8.266 8.031 -5.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -12.190 5.635 -3.257 0.07 0.00 H new ATOM 0 HZ3 TRP A 96 -8.651 5.644 -5.658 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.588 4.465 -4.704 0.23 0.00 H new ATOM 1534 N SER A 97 -11.132 10.222 -6.292 0.73 0.00 N ATOM 1535 CA SER A 97 -12.479 10.321 -6.840 0.56 0.00 C ATOM 1536 C SER A 97 -13.343 9.154 -6.359 1.00 0.00 C ATOM 1537 O SER A 97 -12.827 8.073 -6.076 0.25 0.00 O ATOM 1538 CB SER A 97 -12.431 10.345 -8.369 1.00 0.00 C ATOM 1539 OG SER A 97 -11.665 11.440 -8.839 0.09 0.00 O ATOM 0 H SER A 97 -10.735 9.283 -6.319 0.73 0.00 H new ATOM 0 HA SER A 97 -12.925 11.251 -6.487 0.56 0.00 H new ATOM 0 HB2 SER A 97 -12.002 9.413 -8.737 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.444 10.409 -8.767 1.00 0.00 H new ATOM 0 HG SER A 97 -11.649 11.431 -9.819 0.09 0.00 H new ATOM 1545 N PRO A 98 -14.672 9.354 -6.263 0.16 0.00 N ATOM 1546 CA PRO A 98 -15.593 8.309 -5.810 1.00 0.00 C ATOM 1547 C PRO A 98 -15.839 7.244 -6.875 0.36 0.00 C ATOM 1548 O PRO A 98 -16.617 6.312 -6.664 0.08 0.00 O ATOM 1549 CB PRO A 98 -16.880 9.080 -5.518 0.40 0.00 C ATOM 1550 CG PRO A 98 -16.834 10.250 -6.437 0.49 0.00 C ATOM 1551 CD PRO A 98 -15.378 10.611 -6.584 0.53 0.00 C ATOM 0 HA PRO A 98 -15.200 7.763 -4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -17.761 8.465 -5.703 0.40 0.00 H new ATOM 0 HB3 PRO A 98 -16.925 9.396 -4.476 0.40 0.00 H new ATOM 0 HG2 PRO A 98 -17.274 10.004 -7.403 0.49 0.00 H new ATOM 0 HG3 PRO A 98 -17.404 11.086 -6.032 0.49 0.00 H new ATOM 0 HD2 PRO A 98 -15.150 10.952 -7.594 0.53 0.00 H new ATOM 0 HD3 PRO A 98 -15.094 11.415 -5.905 0.53 0.00 H new ATOM 1559 N THR A 99 -15.175 7.387 -8.017 0.70 0.00 N ATOM 1560 CA THR A 99 -15.323 6.437 -9.112 0.22 0.00 C ATOM 1561 C THR A 99 -14.359 5.267 -8.953 0.20 0.00 C ATOM 1562 O THR A 99 -14.752 4.106 -9.066 0.27 0.00 O ATOM 1563 CB THR A 99 -15.075 7.110 -10.476 0.32 0.00 C ATOM 1564 OG1 THR A 99 -15.953 8.230 -10.636 0.14 0.00 O ATOM 1565 CG2 THR A 99 -15.294 6.125 -11.614 0.43 0.00 C ATOM 0 H THR A 99 -14.529 8.153 -8.208 0.70 0.00 H new ATOM 0 HA THR A 99 -16.348 6.069 -9.078 0.22 0.00 H new ATOM 0 HB THR A 99 -14.040 7.451 -10.504 0.32 0.00 H new ATOM 0 HG1 THR A 99 -15.788 8.653 -11.504 0.14 0.00 H new ATOM 0 HG21 THR A 99 -15.113 6.623 -12.566 0.43 0.00 H new ATOM 0 HG22 THR A 99 -14.606 5.286 -11.507 0.43 0.00 H new ATOM 0 HG23 THR A 99 -16.320 5.758 -11.586 0.43 0.00 H new ATOM 1573 N TYR A 100 -13.093 5.582 -8.691 0.18 0.00 N ATOM 1574 CA TYR A 100 -12.069 4.559 -8.518 1.00 0.00 C ATOM 1575 C TYR A 100 -12.452 3.583 -7.414 0.27 0.00 C ATOM 1576 O TYR A 100 -13.162 3.940 -6.472 1.00 0.00 O ATOM 1577 CB TYR A 100 -10.722 5.209 -8.197 0.50 0.00 C ATOM 1578 CG TYR A 100 -10.191 6.084 -9.309 0.20 0.00 C ATOM 1579 CD1 TYR A 100 -9.658 5.525 -10.462 1.00 0.00 C ATOM 1580 CD2 TYR A 100 -10.225 7.469 -9.206 0.44 0.00 C ATOM 1581 CE1 TYR A 100 -9.172 6.320 -11.483 0.10 0.00 C ATOM 1582 CE2 TYR A 100 -9.741 8.272 -10.221 0.11 0.00 C ATOM 1583 CZ TYR A 100 -9.215 7.692 -11.358 0.67 0.00 C ATOM 1584 OH TYR A 100 -8.734 8.487 -12.372 0.06 0.00 O ATOM 0 H TYR A 100 -12.753 6.539 -8.594 0.18 0.00 H new ATOM 0 HA TYR A 100 -11.985 4.003 -9.452 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -10.824 5.808 -7.292 0.50 0.00 H new ATOM 0 HB3 TYR A 100 -9.993 4.428 -7.982 0.50 0.00 H new ATOM 0 HD1 TYR A 100 -9.622 4.450 -10.563 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -10.637 7.926 -8.318 0.44 0.00 H new ATOM 0 HE1 TYR A 100 -8.761 5.869 -12.374 0.10 0.00 H new ATOM 0 HE2 TYR A 100 -9.774 9.347 -10.125 0.11 0.00 H new ATOM 0 HH TYR A 100 -8.839 9.430 -12.126 0.06 0.00 H new ATOM 1594 N ASP A 101 -11.979 2.349 -7.536 0.50 0.00 N ATOM 1595 CA ASP A 101 -12.269 1.315 -6.551 0.07 0.00 C ATOM 1596 C ASP A 101 -11.076 1.094 -5.629 0.38 0.00 C ATOM 1597 O ASP A 101 -10.071 1.801 -5.715 0.54 0.00 O ATOM 1598 CB ASP A 101 -12.634 0.005 -7.252 0.54 0.00 C ATOM 1599 CG ASP A 101 -13.827 0.156 -8.174 0.15 0.00 C ATOM 1600 OD1 ASP A 101 -13.635 0.605 -9.324 1.00 0.00 O ATOM 1601 OD2 ASP A 101 -14.953 -0.172 -7.746 0.21 0.00 O ATOM 0 H ASP A 101 -11.391 2.039 -8.310 0.50 0.00 H new ATOM 0 HA ASP A 101 -13.115 1.647 -5.949 0.07 0.00 H new ATOM 0 HB2 ASP A 101 -11.777 -0.348 -7.826 0.54 0.00 H new ATOM 0 HB3 ASP A 101 -12.851 -0.756 -6.503 0.54 0.00 H new ATOM 1606 N VAL A 102 -11.194 0.108 -4.744 1.00 0.00 N ATOM 1607 CA VAL A 102 -10.126 -0.211 -3.804 1.00 0.00 C ATOM 1608 C VAL A 102 -8.883 -0.709 -4.537 0.54 0.00 C ATOM 1609 O VAL A 102 -7.762 -0.572 -4.049 0.11 0.00 O ATOM 1610 CB VAL A 102 -10.581 -1.278 -2.786 0.72 0.00 C ATOM 1611 CG1 VAL A 102 -10.941 -2.575 -3.492 0.06 0.00 C ATOM 1612 CG2 VAL A 102 -9.502 -1.513 -1.737 0.26 0.00 C ATOM 0 H VAL A 102 -12.020 -0.484 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.881 0.707 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.473 -0.910 -2.279 0.72 0.00 H new ATOM 0 HG11 VAL A 102 -11.259 -3.314 -2.756 0.06 0.00 H new ATOM 0 HG12 VAL A 102 -11.752 -2.393 -4.197 0.06 0.00 H new ATOM 0 HG13 VAL A 102 -10.070 -2.950 -4.030 0.06 0.00 H new ATOM 0 HG21 VAL A 102 -9.842 -2.268 -1.028 0.26 0.00 H new ATOM 0 HG22 VAL A 102 -8.590 -1.857 -2.224 0.26 0.00 H new ATOM 0 HG23 VAL A 102 -9.301 -0.582 -1.206 0.26 0.00 H new ATOM 1622 N SER A 103 -9.092 -1.288 -5.716 0.25 0.00 N ATOM 1623 CA SER A 103 -7.992 -1.809 -6.521 1.00 0.00 C ATOM 1624 C SER A 103 -7.049 -0.691 -6.951 1.00 0.00 C ATOM 1625 O SER A 103 -5.845 -0.904 -7.096 0.25 0.00 O ATOM 1626 CB SER A 103 -8.537 -2.538 -7.751 1.00 0.00 C ATOM 1627 OG SER A 103 -9.376 -3.617 -7.376 1.00 0.00 O ATOM 0 H SER A 103 -10.014 -1.408 -6.135 0.25 0.00 H new ATOM 0 HA SER A 103 -7.429 -2.513 -5.908 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.095 -1.839 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.708 -2.910 -8.353 1.00 0.00 H new ATOM 0 HG SER A 103 -9.849 -3.953 -8.166 1.00 0.00 H new ATOM 1633 N SER A 104 -7.602 0.500 -7.160 1.00 0.00 N ATOM 1634 CA SER A 104 -6.806 1.651 -7.577 0.76 0.00 C ATOM 1635 C SER A 104 -5.747 1.997 -6.534 0.18 0.00 C ATOM 1636 O SER A 104 -4.678 2.507 -6.869 0.08 0.00 O ATOM 1637 CB SER A 104 -7.713 2.860 -7.822 0.05 0.00 C ATOM 1638 OG SER A 104 -6.962 3.980 -8.259 1.00 0.00 O ATOM 0 H SER A 104 -8.597 0.694 -7.048 1.00 0.00 H new ATOM 0 HA SER A 104 -6.297 1.389 -8.505 0.76 0.00 H new ATOM 0 HB2 SER A 104 -8.466 2.609 -8.569 0.05 0.00 H new ATOM 0 HB3 SER A 104 -8.246 3.111 -6.905 0.05 0.00 H new ATOM 0 HG SER A 104 -7.564 4.739 -8.410 1.00 0.00 H new ATOM 1644 N ILE A 105 -6.050 1.716 -5.268 0.44 0.00 N ATOM 1645 CA ILE A 105 -5.122 2.002 -4.179 1.00 0.00 C ATOM 1646 C ILE A 105 -4.027 0.935 -4.097 1.00 0.00 C ATOM 1647 O ILE A 105 -2.917 1.203 -3.640 1.00 0.00 O ATOM 1648 CB ILE A 105 -5.868 2.110 -2.825 1.00 0.00 C ATOM 1649 CG1 ILE A 105 -5.313 3.270 -1.989 1.00 0.00 C ATOM 1650 CG2 ILE A 105 -5.797 0.802 -2.045 0.22 0.00 C ATOM 1651 CD1 ILE A 105 -3.870 3.096 -1.565 0.09 0.00 C ATOM 0 H ILE A 105 -6.929 1.291 -4.973 0.44 0.00 H new ATOM 0 HA ILE A 105 -4.653 2.963 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.917 2.312 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.402 4.192 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.930 3.388 -1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.330 0.912 -1.101 0.22 0.00 H new ATOM 0 HG22 ILE A 105 -6.256 0.004 -2.630 0.22 0.00 H new ATOM 0 HG23 ILE A 105 -4.755 0.553 -1.846 0.22 0.00 H new ATOM 0 HD11 ILE A 105 -3.556 3.960 -0.979 0.09 0.00 H new ATOM 0 HD12 ILE A 105 -3.774 2.193 -0.961 0.09 0.00 H new ATOM 0 HD13 ILE A 105 -3.239 3.010 -2.449 0.09 0.00 H new ATOM 1663 N LEU A 106 -4.348 -0.275 -4.547 0.44 0.00 N ATOM 1664 CA LEU A 106 -3.390 -1.378 -4.523 0.10 0.00 C ATOM 1665 C LEU A 106 -2.279 -1.169 -5.549 1.00 0.00 C ATOM 1666 O LEU A 106 -1.106 -1.410 -5.264 0.82 0.00 O ATOM 1667 CB LEU A 106 -4.096 -2.710 -4.798 0.08 0.00 C ATOM 1668 CG LEU A 106 -5.119 -3.148 -3.748 0.72 0.00 C ATOM 1669 CD1 LEU A 106 -5.739 -4.478 -4.141 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -4.472 -3.247 -2.373 0.13 0.00 C ATOM 0 H LEU A 106 -5.261 -0.517 -4.932 0.44 0.00 H new ATOM 0 HA LEU A 106 -2.945 -1.404 -3.528 0.10 0.00 H new ATOM 0 HB2 LEU A 106 -4.599 -2.641 -5.762 0.08 0.00 H new ATOM 0 HB3 LEU A 106 -3.339 -3.489 -4.889 0.08 0.00 H new ATOM 0 HG LEU A 106 -5.907 -2.396 -3.700 0.72 0.00 H new ATOM 0 HD11 LEU A 106 -6.465 -4.778 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.239 -4.376 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.959 -5.235 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.217 -3.560 -1.642 0.13 0.00 H new ATOM 0 HD22 LEU A 106 -3.664 -3.978 -2.403 0.13 0.00 H new ATOM 0 HD23 LEU A 106 -4.071 -2.274 -2.089 0.13 0.00 H new ATOM 1682 N THR A 107 -2.657 -0.724 -6.743 0.30 0.00 N ATOM 1683 CA THR A 107 -1.693 -0.496 -7.816 1.00 0.00 C ATOM 1684 C THR A 107 -0.858 0.758 -7.570 0.07 0.00 C ATOM 1685 O THR A 107 0.294 0.838 -7.995 0.60 0.00 O ATOM 1686 CB THR A 107 -2.394 -0.366 -9.180 0.13 0.00 C ATOM 1687 OG1 THR A 107 -3.323 0.724 -9.151 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.123 -1.651 -9.539 0.07 0.00 C ATOM 0 H THR A 107 -3.623 -0.514 -6.993 0.30 0.00 H new ATOM 0 HA THR A 107 -1.034 -1.364 -7.827 1.00 0.00 H new ATOM 0 HB THR A 107 -1.634 -0.175 -9.938 0.13 0.00 H new ATOM 0 HG1 THR A 107 -3.764 0.801 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.610 -1.535 -10.507 0.07 0.00 H new ATOM 0 HG22 THR A 107 -2.409 -2.473 -9.589 0.07 0.00 H new ATOM 0 HG23 THR A 107 -3.873 -1.868 -8.779 0.07 0.00 H new ATOM 1696 N SER A 108 -1.444 1.733 -6.884 0.20 0.00 N ATOM 1697 CA SER A 108 -0.750 2.983 -6.592 0.07 0.00 C ATOM 1698 C SER A 108 0.477 2.742 -5.718 0.56 0.00 C ATOM 1699 O SER A 108 1.533 3.336 -5.937 1.00 0.00 O ATOM 1700 CB SER A 108 -1.696 3.968 -5.903 1.00 0.00 C ATOM 1701 OG SER A 108 -2.081 3.496 -4.623 0.49 0.00 O ATOM 0 H SER A 108 -2.396 1.683 -6.520 0.20 0.00 H new ATOM 0 HA SER A 108 -0.417 3.409 -7.538 0.07 0.00 H new ATOM 0 HB2 SER A 108 -1.208 4.938 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.582 4.118 -6.520 1.00 0.00 H new ATOM 0 HG SER A 108 -2.149 2.519 -4.642 0.49 0.00 H new ATOM 1707 N ILE A 109 0.333 1.864 -4.730 0.55 0.00 N ATOM 1708 CA ILE A 109 1.430 1.550 -3.822 0.11 0.00 C ATOM 1709 C ILE A 109 2.492 0.693 -4.506 0.60 0.00 C ATOM 1710 O ILE A 109 3.688 0.877 -4.279 0.06 0.00 O ATOM 1711 CB ILE A 109 0.920 0.817 -2.565 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -0.148 1.657 -1.860 0.52 0.00 C ATOM 1713 CG2 ILE A 109 2.077 0.516 -1.621 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -0.810 0.947 -0.698 0.10 0.00 C ATOM 0 H ILE A 109 -0.532 1.358 -4.538 0.55 0.00 H new ATOM 0 HA ILE A 109 1.877 2.499 -3.527 0.11 0.00 H new ATOM 0 HB ILE A 109 0.471 -0.129 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.307 2.579 -1.499 0.52 0.00 H new ATOM 0 HG13 ILE A 109 -0.912 1.940 -2.584 0.52 0.00 H new ATOM 0 HG21 ILE A 109 1.701 -0.002 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 109 2.806 -0.115 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 109 2.553 1.449 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -1.555 1.603 -0.247 0.10 0.00 H new ATOM 0 HD12 ILE A 109 -1.295 0.039 -1.055 0.10 0.00 H new ATOM 0 HD13 ILE A 109 -0.057 0.688 0.046 0.10 0.00 H new ATOM 1726 N GLN A 110 2.051 -0.245 -5.341 0.09 0.00 N ATOM 1727 CA GLN A 110 2.972 -1.127 -6.052 0.60 0.00 C ATOM 1728 C GLN A 110 3.903 -0.326 -6.955 0.82 0.00 C ATOM 1729 O GLN A 110 5.054 -0.706 -7.170 0.10 0.00 O ATOM 1730 CB GLN A 110 2.196 -2.155 -6.880 0.28 0.00 C ATOM 1731 CG GLN A 110 3.079 -3.230 -7.494 1.00 0.00 C ATOM 1732 CD GLN A 110 2.284 -4.307 -8.211 0.06 0.00 C ATOM 1733 OE1 GLN A 110 2.696 -5.467 -8.257 0.84 0.00 O ATOM 1734 NE2 GLN A 110 1.144 -3.931 -8.777 0.53 0.00 N ATOM 0 H GLN A 110 1.065 -0.413 -5.541 0.09 0.00 H new ATOM 0 HA GLN A 110 3.576 -1.652 -5.312 0.60 0.00 H new ATOM 0 HB2 GLN A 110 1.447 -2.630 -6.246 0.28 0.00 H new ATOM 0 HB3 GLN A 110 1.659 -1.638 -7.676 0.28 0.00 H new ATOM 0 HG2 GLN A 110 3.771 -2.767 -8.197 1.00 0.00 H new ATOM 0 HG3 GLN A 110 3.681 -3.690 -6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 110 0.840 -2.959 -8.715 0.53 0.00 H new ATOM 0 HE22 GLN A 110 0.572 -4.614 -9.274 0.53 0.00 H new ATOM 1743 N SER A 111 3.396 0.783 -7.479 0.22 0.00 N ATOM 1744 CA SER A 111 4.180 1.645 -8.357 0.06 0.00 C ATOM 1745 C SER A 111 5.317 2.314 -7.591 0.34 0.00 C ATOM 1746 O SER A 111 6.365 2.626 -8.159 0.47 0.00 O ATOM 1747 CB SER A 111 3.284 2.708 -8.996 0.06 0.00 C ATOM 1748 OG SER A 111 2.233 2.113 -9.737 0.11 0.00 O ATOM 0 H SER A 111 2.444 1.108 -7.311 0.22 0.00 H new ATOM 0 HA SER A 111 4.612 1.024 -9.142 0.06 0.00 H new ATOM 0 HB2 SER A 111 2.867 3.351 -8.220 0.06 0.00 H new ATOM 0 HB3 SER A 111 3.880 3.344 -9.651 0.06 0.00 H new ATOM 0 HG SER A 111 1.589 1.704 -9.121 0.11 0.00 H new ATOM 1754 N LEU A 112 5.101 2.534 -6.297 0.87 0.00 N ATOM 1755 CA LEU A 112 6.098 3.173 -5.446 0.41 0.00 C ATOM 1756 C LEU A 112 7.392 2.366 -5.425 0.51 0.00 C ATOM 1757 O LEU A 112 8.471 2.909 -5.193 0.18 0.00 O ATOM 1758 CB LEU A 112 5.559 3.324 -4.023 0.06 0.00 C ATOM 1759 CG LEU A 112 6.393 4.215 -3.101 0.17 0.00 C ATOM 1760 CD1 LEU A 112 6.282 5.670 -3.526 0.07 0.00 C ATOM 1761 CD2 LEU A 112 5.954 4.047 -1.656 0.20 0.00 C ATOM 0 H LEU A 112 4.240 2.277 -5.814 0.87 0.00 H new ATOM 0 HA LEU A 112 6.311 4.160 -5.856 0.41 0.00 H new ATOM 0 HB2 LEU A 112 4.548 3.729 -4.076 0.06 0.00 H new ATOM 0 HB3 LEU A 112 5.483 2.334 -3.574 0.06 0.00 H new ATOM 0 HG LEU A 112 7.437 3.911 -3.180 0.17 0.00 H new ATOM 0 HD11 LEU A 112 6.881 6.290 -2.860 0.07 0.00 H new ATOM 0 HD12 LEU A 112 6.645 5.779 -4.548 0.07 0.00 H new ATOM 0 HD13 LEU A 112 5.240 5.985 -3.476 0.07 0.00 H new ATOM 0 HD21 LEU A 112 6.559 4.689 -1.015 0.20 0.00 H new ATOM 0 HD22 LEU A 112 4.904 4.324 -1.560 0.20 0.00 H new ATOM 0 HD23 LEU A 112 6.084 3.008 -1.355 0.20 0.00 H new ATOM 1773 N LEU A 113 7.271 1.066 -5.668 0.21 0.00 N ATOM 1774 CA LEU A 113 8.426 0.179 -5.677 0.81 0.00 C ATOM 1775 C LEU A 113 9.223 0.342 -6.962 0.72 0.00 C ATOM 1776 O LEU A 113 10.453 0.373 -6.944 0.49 0.00 O ATOM 1777 CB LEU A 113 7.980 -1.278 -5.544 0.11 0.00 C ATOM 1778 CG LEU A 113 6.766 -1.511 -4.646 0.26 0.00 C ATOM 1779 CD1 LEU A 113 6.421 -2.989 -4.604 0.14 0.00 C ATOM 1780 CD2 LEU A 113 7.026 -0.979 -3.245 0.43 0.00 C ATOM 0 H LEU A 113 6.383 0.603 -5.862 0.21 0.00 H new ATOM 0 HA LEU A 113 9.058 0.445 -4.830 0.81 0.00 H new ATOM 0 HB2 LEU A 113 7.755 -1.664 -6.538 0.11 0.00 H new ATOM 0 HB3 LEU A 113 8.815 -1.862 -5.157 0.11 0.00 H new ATOM 0 HG LEU A 113 5.917 -0.969 -5.061 0.26 0.00 H new ATOM 0 HD11 LEU A 113 5.554 -3.142 -3.961 0.14 0.00 H new ATOM 0 HD12 LEU A 113 6.192 -3.338 -5.611 0.14 0.00 H new ATOM 0 HD13 LEU A 113 7.269 -3.549 -4.210 0.14 0.00 H new ATOM 0 HD21 LEU A 113 6.150 -1.154 -2.621 0.43 0.00 H new ATOM 0 HD22 LEU A 113 7.886 -1.492 -2.815 0.43 0.00 H new ATOM 0 HD23 LEU A 113 7.228 0.091 -3.294 0.43 0.00 H new ATOM 1792 N ASP A 114 8.509 0.445 -8.076 0.11 0.00 N ATOM 1793 CA ASP A 114 9.141 0.593 -9.379 0.09 0.00 C ATOM 1794 C ASP A 114 9.988 1.860 -9.435 0.14 0.00 C ATOM 1795 O ASP A 114 11.016 1.905 -10.110 0.25 0.00 O ATOM 1796 CB ASP A 114 8.082 0.627 -10.479 1.00 0.00 C ATOM 1797 CG ASP A 114 8.688 0.613 -11.868 0.07 0.00 C ATOM 1798 OD1 ASP A 114 9.055 1.698 -12.366 0.96 0.00 O ATOM 1799 OD2 ASP A 114 8.794 -0.483 -12.457 0.09 0.00 O ATOM 0 H ASP A 114 7.489 0.429 -8.102 0.11 0.00 H new ATOM 0 HA ASP A 114 9.794 -0.265 -9.537 0.09 0.00 H new ATOM 0 HB2 ASP A 114 7.418 -0.230 -10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 114 7.470 1.521 -10.362 1.00 0.00 H new ATOM 1804 N GLU A 115 9.546 2.887 -8.718 0.09 0.00 N ATOM 1805 CA GLU A 115 10.253 4.160 -8.683 1.00 0.00 C ATOM 1806 C GLU A 115 10.781 4.449 -7.276 1.00 0.00 C ATOM 1807 O GLU A 115 10.035 4.910 -6.412 0.64 0.00 O ATOM 1808 CB GLU A 115 9.328 5.289 -9.137 1.00 0.00 C ATOM 1809 CG GLU A 115 8.804 5.109 -10.553 1.00 0.00 C ATOM 1810 CD GLU A 115 7.928 6.264 -11.002 0.53 0.00 C ATOM 1811 OE1 GLU A 115 6.704 6.210 -10.761 0.06 0.00 O ATOM 1812 OE2 GLU A 115 8.468 7.221 -11.596 0.10 0.00 O ATOM 0 H GLU A 115 8.698 2.862 -8.151 0.09 0.00 H new ATOM 0 HA GLU A 115 11.102 4.099 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 115 8.484 5.355 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.865 6.236 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.646 5.009 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.234 4.182 -10.610 1.00 0.00 H new ATOM 1886 N PRO A 121 10.842 14.202 -0.961 0.76 0.00 N ATOM 1887 CA PRO A 121 11.256 13.299 0.121 0.09 0.00 C ATOM 1888 C PRO A 121 10.412 13.466 1.380 1.00 0.00 C ATOM 1889 O PRO A 121 9.991 14.573 1.717 0.27 0.00 O ATOM 1890 CB PRO A 121 12.709 13.700 0.395 0.28 0.00 C ATOM 1891 CG PRO A 121 12.836 15.086 -0.136 0.26 0.00 C ATOM 1892 CD PRO A 121 11.906 15.161 -1.313 0.06 0.00 C ATOM 0 HA PRO A 121 11.136 12.254 -0.163 0.09 0.00 H new ATOM 0 HB2 PRO A 121 12.933 13.664 1.461 0.28 0.00 H new ATOM 0 HB3 PRO A 121 13.405 13.023 -0.100 0.28 0.00 H new ATOM 0 HG2 PRO A 121 12.567 15.821 0.622 0.26 0.00 H new ATOM 0 HG3 PRO A 121 13.863 15.298 -0.435 0.26 0.00 H new ATOM 0 HD2 PRO A 121 11.512 16.168 -1.451 0.06 0.00 H new ATOM 0 HD3 PRO A 121 12.407 14.885 -2.241 0.06 0.00 H new ATOM 1900 N ALA A 122 10.171 12.355 2.071 0.19 0.00 N ATOM 1901 CA ALA A 122 9.386 12.368 3.298 1.00 0.00 C ATOM 1902 C ALA A 122 10.276 12.033 4.486 0.09 0.00 C ATOM 1903 O ALA A 122 9.998 12.427 5.620 1.00 0.00 O ATOM 1904 CB ALA A 122 8.232 11.381 3.200 1.00 0.00 C ATOM 0 H ALA A 122 10.510 11.432 1.799 0.19 0.00 H new ATOM 0 HA ALA A 122 8.971 13.366 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 122 7.655 11.403 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.588 11.656 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 122 8.625 10.377 3.041 1.00 0.00 H new ATOM 1910 N ASN A 123 11.349 11.304 4.208 0.21 0.00 N ATOM 1911 CA ASN A 123 12.302 10.905 5.233 0.14 0.00 C ATOM 1912 C ASN A 123 13.723 11.245 4.799 0.97 0.00 C ATOM 1913 O ASN A 123 14.296 10.580 3.936 1.00 0.00 O ATOM 1914 CB ASN A 123 12.182 9.408 5.511 1.00 0.00 C ATOM 1915 CG ASN A 123 10.889 9.046 6.219 1.00 0.00 C ATOM 1916 OD1 ASN A 123 10.345 7.960 6.025 1.00 0.00 O ATOM 1917 ND2 ASN A 123 10.391 9.957 7.049 0.11 0.00 N ATOM 0 H ASN A 123 11.582 10.975 3.271 0.21 0.00 H new ATOM 0 HA ASN A 123 12.076 11.453 6.148 0.14 0.00 H new ATOM 0 HB2 ASN A 123 12.241 8.862 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.027 9.087 6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 123 9.525 9.768 7.554 0.11 0.00 H new ATOM 0 HD22 ASN A 123 10.875 10.845 7.181 0.11 0.00 H new ATOM 1924 N SER A 124 14.285 12.286 5.402 0.08 0.00 N ATOM 1925 CA SER A 124 15.638 12.723 5.076 0.93 0.00 C ATOM 1926 C SER A 124 16.668 11.662 5.453 0.21 0.00 C ATOM 1927 O SER A 124 17.657 11.473 4.747 0.50 0.00 O ATOM 1928 CB SER A 124 15.954 14.035 5.798 1.00 0.00 C ATOM 1929 OG SER A 124 17.259 14.489 5.481 0.36 0.00 O ATOM 0 H SER A 124 13.824 12.844 6.121 0.08 0.00 H new ATOM 0 HA SER A 124 15.691 12.880 3.999 0.93 0.00 H new ATOM 0 HB2 SER A 124 15.223 14.794 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 124 15.867 13.891 6.875 1.00 0.00 H new ATOM 0 HG SER A 124 17.437 15.329 5.953 0.36 0.00 H new ATOM 1935 N GLN A 125 16.427 10.972 6.562 0.56 0.00 N ATOM 1936 CA GLN A 125 17.344 9.939 7.038 0.39 0.00 C ATOM 1937 C GLN A 125 17.449 8.782 6.046 0.14 0.00 C ATOM 1938 O GLN A 125 18.548 8.395 5.645 0.34 0.00 O ATOM 1939 CB GLN A 125 16.886 9.415 8.401 0.25 0.00 C ATOM 1940 CG GLN A 125 17.869 8.452 9.048 0.11 0.00 C ATOM 1941 CD GLN A 125 17.441 8.032 10.441 1.00 0.00 C ATOM 1942 OE1 GLN A 125 16.791 8.791 11.158 1.00 0.00 O ATOM 1943 NE2 GLN A 125 17.806 6.815 10.829 1.00 0.00 N ATOM 0 H GLN A 125 15.604 11.108 7.150 0.56 0.00 H new ATOM 0 HA GLN A 125 18.331 10.391 7.135 0.39 0.00 H new ATOM 0 HB2 GLN A 125 16.726 10.260 9.070 0.25 0.00 H new ATOM 0 HB3 GLN A 125 15.925 8.915 8.284 0.25 0.00 H new ATOM 0 HG2 GLN A 125 17.971 7.567 8.421 0.11 0.00 H new ATOM 0 HG3 GLN A 125 18.851 8.921 9.100 0.11 0.00 H new ATOM 0 HE21 GLN A 125 18.345 6.220 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 125 17.547 6.476 11.756 1.00 0.00 H new ATOM 1952 N ALA A 126 16.302 8.233 5.656 0.14 0.00 N ATOM 1953 CA ALA A 126 16.268 7.112 4.720 0.58 0.00 C ATOM 1954 C ALA A 126 16.944 7.463 3.398 0.10 0.00 C ATOM 1955 O ALA A 126 17.857 6.766 2.955 0.06 0.00 O ATOM 1956 CB ALA A 126 14.832 6.674 4.482 0.08 0.00 C ATOM 0 H ALA A 126 15.384 8.545 5.973 0.14 0.00 H new ATOM 0 HA ALA A 126 16.824 6.287 5.165 0.58 0.00 H new ATOM 0 HB1 ALA A 126 14.818 5.838 3.783 0.08 0.00 H new ATOM 0 HB2 ALA A 126 14.385 6.365 5.427 0.08 0.00 H new ATOM 0 HB3 ALA A 126 14.262 7.505 4.066 0.08 0.00 H new ATOM 1962 N ALA A 127 16.491 8.546 2.772 0.09 0.00 N ATOM 1963 CA ALA A 127 17.053 8.987 1.499 0.17 0.00 C ATOM 1964 C ALA A 127 18.547 9.278 1.621 1.00 0.00 C ATOM 1965 O ALA A 127 19.315 9.026 0.690 0.05 0.00 O ATOM 1966 CB ALA A 127 16.317 10.220 0.998 0.74 0.00 C ATOM 0 H ALA A 127 15.736 9.134 3.126 0.09 0.00 H new ATOM 0 HA ALA A 127 16.926 8.178 0.779 0.17 0.00 H new ATOM 0 HB1 ALA A 127 16.746 10.539 0.048 0.74 0.00 H new ATOM 0 HB2 ALA A 127 15.262 9.983 0.859 0.74 0.00 H new ATOM 0 HB3 ALA A 127 16.415 11.024 1.728 0.74 0.00 H new ATOM 1972 N GLN A 128 18.954 9.808 2.770 1.00 0.00 N ATOM 1973 CA GLN A 128 20.357 10.140 3.009 0.67 0.00 C ATOM 1974 C GLN A 128 21.223 8.884 3.036 0.24 0.00 C ATOM 1975 O GLN A 128 22.348 8.886 2.542 1.00 0.00 O ATOM 1976 CB GLN A 128 20.506 10.900 4.328 0.35 0.00 C ATOM 1977 CG GLN A 128 21.939 11.300 4.644 0.28 0.00 C ATOM 1978 CD GLN A 128 22.069 11.990 5.988 1.00 0.00 C ATOM 1979 OE1 GLN A 128 21.300 11.724 6.913 1.00 0.00 O ATOM 1980 NE2 GLN A 128 23.044 12.884 6.103 0.28 0.00 N ATOM 0 H GLN A 128 18.333 10.017 3.552 1.00 0.00 H new ATOM 0 HA GLN A 128 20.695 10.774 2.189 0.67 0.00 H new ATOM 0 HB2 GLN A 128 19.887 11.797 4.293 0.35 0.00 H new ATOM 0 HB3 GLN A 128 20.124 10.281 5.139 0.35 0.00 H new ATOM 0 HG2 GLN A 128 22.571 10.412 4.633 0.28 0.00 H new ATOM 0 HG3 GLN A 128 22.308 11.964 3.862 0.28 0.00 H new ATOM 0 HE21 GLN A 128 23.658 13.073 5.311 0.28 0.00 H new ATOM 0 HE22 GLN A 128 23.179 13.381 6.983 0.28 0.00 H new ATOM 1989 N LEU A 129 20.693 7.817 3.620 1.00 0.00 N ATOM 1990 CA LEU A 129 21.422 6.556 3.715 0.12 0.00 C ATOM 1991 C LEU A 129 21.725 5.986 2.333 0.80 0.00 C ATOM 1992 O LEU A 129 22.694 5.249 2.154 1.00 0.00 O ATOM 1993 CB LEU A 129 20.621 5.549 4.544 0.31 0.00 C ATOM 1994 CG LEU A 129 20.533 5.872 6.037 0.10 0.00 C ATOM 1995 CD1 LEU A 129 19.456 5.030 6.704 0.80 0.00 C ATOM 1996 CD2 LEU A 129 21.877 5.648 6.711 0.19 0.00 C ATOM 0 H LEU A 129 19.762 7.798 4.035 1.00 0.00 H new ATOM 0 HA LEU A 129 22.373 6.750 4.211 0.12 0.00 H new ATOM 0 HB2 LEU A 129 19.611 5.489 4.140 0.31 0.00 H new ATOM 0 HB3 LEU A 129 21.071 4.563 4.426 0.31 0.00 H new ATOM 0 HG LEU A 129 20.264 6.923 6.145 0.10 0.00 H new ATOM 0 HD11 LEU A 129 19.409 5.274 7.765 0.80 0.00 H new ATOM 0 HD12 LEU A 129 18.492 5.239 6.240 0.80 0.00 H new ATOM 0 HD13 LEU A 129 19.695 3.973 6.585 0.80 0.00 H new ATOM 0 HD21 LEU A 129 21.795 5.883 7.772 0.19 0.00 H new ATOM 0 HD22 LEU A 129 22.175 4.606 6.592 0.19 0.00 H new ATOM 0 HD23 LEU A 129 22.626 6.294 6.253 0.19 0.00 H new ATOM 2008 N TYR A 130 20.890 6.330 1.357 1.00 0.00 N ATOM 2009 CA TYR A 130 21.066 5.847 -0.009 0.31 0.00 C ATOM 2010 C TYR A 130 22.365 6.367 -0.623 0.56 0.00 C ATOM 2011 O TYR A 130 22.984 5.691 -1.445 1.00 0.00 O ATOM 2012 CB TYR A 130 19.874 6.266 -0.874 0.06 0.00 C ATOM 2013 CG TYR A 130 19.958 5.781 -2.306 0.13 0.00 C ATOM 2014 CD1 TYR A 130 19.575 4.489 -2.647 0.06 0.00 C ATOM 2015 CD2 TYR A 130 20.415 6.619 -3.317 0.32 0.00 C ATOM 2016 CE1 TYR A 130 19.647 4.046 -3.954 1.00 0.00 C ATOM 2017 CE2 TYR A 130 20.489 6.181 -4.626 0.05 0.00 C ATOM 2018 CZ TYR A 130 20.105 4.896 -4.939 0.08 0.00 C ATOM 2019 OH TYR A 130 20.177 4.459 -6.242 1.00 0.00 O ATOM 0 H TYR A 130 20.084 6.942 1.487 1.00 0.00 H new ATOM 0 HA TYR A 130 21.122 4.759 0.026 0.31 0.00 H new ATOM 0 HB2 TYR A 130 18.958 5.884 -0.424 0.06 0.00 H new ATOM 0 HB3 TYR A 130 19.800 7.353 -0.872 0.06 0.00 H new ATOM 0 HD1 TYR A 130 19.215 3.821 -1.878 0.06 0.00 H new ATOM 0 HD2 TYR A 130 20.717 7.628 -3.076 0.32 0.00 H new ATOM 0 HE1 TYR A 130 19.346 3.039 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 130 20.847 6.844 -5.400 0.05 0.00 H new ATOM 0 HH TYR A 130 20.519 5.180 -6.811 1.00 0.00 H new ATOM 2029 N GLN A 131 22.776 7.568 -0.221 0.81 0.00 N ATOM 2030 CA GLN A 131 23.998 8.167 -0.747 0.17 0.00 C ATOM 2031 C GLN A 131 25.171 7.995 0.218 1.00 0.00 C ATOM 2032 O GLN A 131 26.272 7.630 -0.193 0.08 0.00 O ATOM 2033 CB GLN A 131 23.776 9.652 -1.050 0.35 0.00 C ATOM 2034 CG GLN A 131 23.243 10.445 0.132 0.06 0.00 C ATOM 2035 CD GLN A 131 22.937 11.886 -0.227 1.00 0.00 C ATOM 2036 OE1 GLN A 131 21.827 12.210 -0.651 1.00 0.00 O ATOM 2037 NE2 GLN A 131 23.922 12.760 -0.060 0.28 0.00 N ATOM 0 H GLN A 131 22.283 8.142 0.463 0.81 0.00 H new ATOM 0 HA GLN A 131 24.249 7.647 -1.672 0.17 0.00 H new ATOM 0 HB2 GLN A 131 24.719 10.092 -1.376 0.35 0.00 H new ATOM 0 HB3 GLN A 131 23.078 9.743 -1.882 0.35 0.00 H new ATOM 0 HG2 GLN A 131 22.338 9.967 0.508 0.06 0.00 H new ATOM 0 HG3 GLN A 131 23.974 10.423 0.940 0.06 0.00 H new ATOM 0 HE21 GLN A 131 24.826 12.448 0.294 0.28 0.00 H new ATOM 0 HE22 GLN A 131 23.775 13.744 -0.286 0.28 0.00 H new ATOM 2046 N GLU A 132 24.930 8.259 1.499 1.00 0.00 N ATOM 2047 CA GLU A 132 25.972 8.134 2.515 0.17 0.00 C ATOM 2048 C GLU A 132 26.446 6.690 2.647 1.00 0.00 C ATOM 2049 O GLU A 132 27.510 6.329 2.146 1.00 0.00 O ATOM 2050 CB GLU A 132 25.467 8.644 3.866 0.38 0.00 C ATOM 2051 CG GLU A 132 25.131 10.125 3.869 0.13 0.00 C ATOM 2052 CD GLU A 132 26.323 10.995 3.526 1.00 0.00 C ATOM 2053 OE1 GLU A 132 26.531 11.274 2.326 0.06 0.00 O ATOM 2054 OE2 GLU A 132 27.052 11.399 4.458 0.12 0.00 O ATOM 0 H GLU A 132 24.024 8.560 1.858 1.00 0.00 H new ATOM 0 HA GLU A 132 26.818 8.743 2.198 0.17 0.00 H new ATOM 0 HB2 GLU A 132 24.580 8.078 4.150 0.38 0.00 H new ATOM 0 HB3 GLU A 132 26.225 8.450 4.625 0.38 0.00 H new ATOM 0 HG2 GLU A 132 24.331 10.313 3.153 0.13 0.00 H new ATOM 0 HG3 GLU A 132 24.752 10.406 4.852 0.13 0.00 H new ATOM 2061 N ASN A 133 25.648 5.869 3.324 0.16 0.00 N ATOM 2062 CA ASN A 133 25.990 4.468 3.522 0.08 0.00 C ATOM 2063 C ASN A 133 25.035 3.561 2.753 0.05 0.00 C ATOM 2064 O ASN A 133 24.010 3.129 3.282 0.18 0.00 O ATOM 2065 CB ASN A 133 25.968 4.119 5.010 0.07 0.00 C ATOM 2066 CG ASN A 133 27.140 4.720 5.761 0.83 0.00 C ATOM 2067 OD1 ASN A 133 27.643 5.784 5.400 0.05 0.00 O ATOM 2068 ND2 ASN A 133 27.583 4.040 6.812 0.59 0.00 N ATOM 0 H ASN A 133 24.762 6.151 3.743 0.16 0.00 H new ATOM 0 HA ASN A 133 26.998 4.308 3.138 0.08 0.00 H new ATOM 0 HB2 ASN A 133 25.037 4.475 5.450 0.07 0.00 H new ATOM 0 HB3 ASN A 133 25.982 3.035 5.127 0.07 0.00 H new ATOM 0 HD21 ASN A 133 28.370 4.396 7.355 0.59 0.00 H new ATOM 0 HD22 ASN A 133 27.137 3.162 7.076 0.59 0.00 H new ATOM 2075 N LYS A 134 25.378 3.287 1.500 0.88 0.00 N ATOM 2076 CA LYS A 134 24.558 2.433 0.652 1.00 0.00 C ATOM 2077 C LYS A 134 24.566 0.997 1.165 1.00 0.00 C ATOM 2078 O LYS A 134 23.621 0.240 0.942 0.43 0.00 O ATOM 2079 CB LYS A 134 25.067 2.480 -0.789 1.00 0.00 C ATOM 2080 CG LYS A 134 24.242 1.652 -1.757 0.06 0.00 C ATOM 2081 CD LYS A 134 24.805 1.718 -3.166 0.22 0.00 C ATOM 2082 CE LYS A 134 23.977 0.887 -4.132 0.09 0.00 C ATOM 2083 NZ LYS A 134 23.939 -0.548 -3.738 0.42 0.00 N ATOM 0 H LYS A 134 26.220 3.645 1.049 0.88 0.00 H new ATOM 0 HA LYS A 134 23.533 2.802 0.679 1.00 0.00 H new ATOM 0 HB2 LYS A 134 25.076 3.516 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 134 26.098 2.128 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 134 24.218 0.615 -1.422 0.06 0.00 H new ATOM 0 HG3 LYS A 134 23.213 2.010 -1.758 0.06 0.00 H new ATOM 0 HD2 LYS A 134 24.828 2.755 -3.502 0.22 0.00 H new ATOM 0 HD3 LYS A 134 25.835 1.360 -3.165 0.22 0.00 H new ATOM 0 HE2 LYS A 134 22.961 1.280 -4.170 0.09 0.00 H new ATOM 0 HE3 LYS A 134 24.392 0.977 -5.136 0.09 0.00 H new ATOM 0 HZ1 LYS A 134 23.575 -1.116 -4.530 0.42 0.00 H new ATOM 0 HZ2 LYS A 134 24.899 -0.867 -3.496 0.42 0.00 H new ATOM 0 HZ3 LYS A 134 23.317 -0.665 -2.913 0.42 0.00 H new ATOM 2097 N ARG A 135 25.643 0.630 1.854 1.00 0.00 N ATOM 2098 CA ARG A 135 25.780 -0.712 2.405 0.51 0.00 C ATOM 2099 C ARG A 135 24.757 -0.948 3.512 0.11 0.00 C ATOM 2100 O ARG A 135 24.322 -2.078 3.738 0.07 0.00 O ATOM 2101 CB ARG A 135 27.196 -0.925 2.945 1.00 0.00 C ATOM 2102 CG ARG A 135 28.278 -0.804 1.884 0.67 0.00 C ATOM 2103 CD ARG A 135 29.655 -1.106 2.453 0.18 0.00 C ATOM 2104 NE ARG A 135 30.699 -1.030 1.433 0.83 0.00 N ATOM 2105 CZ ARG A 135 31.980 -1.309 1.664 0.34 0.00 C ATOM 2106 NH1 ARG A 135 32.376 -1.676 2.874 0.11 0.00 N ATOM 2107 NH2 ARG A 135 32.867 -1.219 0.682 0.06 0.00 N ATOM 0 H ARG A 135 26.434 1.245 2.043 1.00 0.00 H new ATOM 0 HA ARG A 135 25.596 -1.429 1.605 0.51 0.00 H new ATOM 0 HB2 ARG A 135 27.389 -0.197 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 135 27.256 -1.913 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 135 28.064 -1.490 1.065 0.67 0.00 H new ATOM 0 HG3 ARG A 135 28.269 0.203 1.467 0.67 0.00 H new ATOM 0 HD2 ARG A 135 29.879 -0.401 3.254 0.18 0.00 H new ATOM 0 HD3 ARG A 135 29.653 -2.102 2.896 0.18 0.00 H new ATOM 0 HE ARG A 135 30.431 -0.747 0.490 0.83 0.00 H new ATOM 0 HH11 ARG A 135 31.698 -1.746 3.633 0.11 0.00 H new ATOM 0 HH12 ARG A 135 33.359 -1.889 3.046 0.11 0.00 H new ATOM 0 HH21 ARG A 135 32.568 -0.936 -0.251 0.06 0.00 H new ATOM 0 HH22 ARG A 135 33.848 -1.433 0.860 0.06 0.00 H new ATOM 2121 N GLU A 136 24.383 0.125 4.201 0.71 0.00 N ATOM 2122 CA GLU A 136 23.412 0.038 5.289 0.22 0.00 C ATOM 2123 C GLU A 136 21.991 -0.070 4.748 0.06 0.00 C ATOM 2124 O GLU A 136 21.131 -0.707 5.357 0.71 0.00 O ATOM 2125 CB GLU A 136 23.531 1.261 6.201 1.00 0.00 C ATOM 2126 CG GLU A 136 22.542 1.260 7.355 0.15 0.00 C ATOM 2127 CD GLU A 136 22.695 0.045 8.251 0.40 0.00 C ATOM 2128 OE1 GLU A 136 23.479 0.115 9.219 0.39 0.00 O ATOM 2129 OE2 GLU A 136 22.030 -0.978 7.982 0.85 0.00 O ATOM 0 H GLU A 136 24.737 1.066 4.026 0.71 0.00 H new ATOM 0 HA GLU A 136 23.629 -0.862 5.864 0.22 0.00 H new ATOM 0 HB2 GLU A 136 24.544 1.307 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 136 23.382 2.162 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 136 22.680 2.164 7.948 0.15 0.00 H new ATOM 0 HG3 GLU A 136 21.527 1.290 6.959 0.15 0.00 H new ATOM 2136 N TYR A 137 21.750 0.553 3.600 1.00 0.00 N ATOM 2137 CA TYR A 137 20.429 0.536 2.982 0.06 0.00 C ATOM 2138 C TYR A 137 20.122 -0.826 2.362 0.13 0.00 C ATOM 2139 O TYR A 137 19.044 -1.382 2.572 1.00 0.00 O ATOM 2140 CB TYR A 137 20.329 1.631 1.919 1.00 0.00 C ATOM 2141 CG TYR A 137 18.947 1.770 1.321 0.15 0.00 C ATOM 2142 CD1 TYR A 137 17.935 2.426 2.010 1.00 0.00 C ATOM 2143 CD2 TYR A 137 18.654 1.243 0.071 0.34 0.00 C ATOM 2144 CE1 TYR A 137 16.669 2.553 1.469 1.00 0.00 C ATOM 2145 CE2 TYR A 137 17.391 1.366 -0.478 0.07 0.00 C ATOM 2146 CZ TYR A 137 16.403 2.023 0.225 0.42 0.00 C ATOM 2147 OH TYR A 137 15.145 2.147 -0.316 1.00 0.00 O ATOM 0 H TYR A 137 22.453 1.077 3.078 1.00 0.00 H new ATOM 0 HA TYR A 137 19.692 0.725 3.763 0.06 0.00 H new ATOM 0 HB2 TYR A 137 20.622 2.583 2.362 1.00 0.00 H new ATOM 0 HB3 TYR A 137 21.041 1.418 1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 137 18.140 2.844 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 137 19.426 0.728 -0.482 0.34 0.00 H new ATOM 0 HE1 TYR A 137 15.893 3.065 2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 137 17.179 0.950 -1.452 0.07 0.00 H new ATOM 0 HH TYR A 137 15.125 1.720 -1.198 1.00 0.00 H new ATOM 2157 N GLU A 138 21.075 -1.361 1.601 0.14 0.00 N ATOM 2158 CA GLU A 138 20.898 -2.654 0.945 1.00 0.00 C ATOM 2159 C GLU A 138 20.633 -3.762 1.961 0.08 0.00 C ATOM 2160 O GLU A 138 19.794 -4.635 1.734 1.00 0.00 O ATOM 2161 CB GLU A 138 22.130 -2.998 0.101 0.74 0.00 C ATOM 2162 CG GLU A 138 23.423 -3.058 0.899 0.18 0.00 C ATOM 2163 CD GLU A 138 24.622 -3.416 0.042 0.10 0.00 C ATOM 2164 OE1 GLU A 138 24.906 -4.625 -0.101 0.09 0.00 O ATOM 2165 OE2 GLU A 138 25.276 -2.492 -0.483 1.00 0.00 O ATOM 0 H GLU A 138 21.977 -0.919 1.424 0.14 0.00 H new ATOM 0 HA GLU A 138 20.028 -2.579 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.969 -3.960 -0.385 0.74 0.00 H new ATOM 0 HB3 GLU A 138 22.236 -2.255 -0.690 0.74 0.00 H new ATOM 0 HG2 GLU A 138 23.597 -2.093 1.375 0.18 0.00 H new ATOM 0 HG3 GLU A 138 23.319 -3.793 1.697 0.18 0.00 H new ATOM 2172 N LYS A 139 21.349 -3.725 3.081 0.29 0.00 N ATOM 2173 CA LYS A 139 21.185 -4.728 4.127 0.15 0.00 C ATOM 2174 C LYS A 139 19.784 -4.665 4.731 0.23 0.00 C ATOM 2175 O LYS A 139 19.215 -5.687 5.113 0.18 0.00 O ATOM 2176 CB LYS A 139 22.235 -4.535 5.224 0.14 0.00 C ATOM 2177 CG LYS A 139 23.641 -4.935 4.802 0.07 0.00 C ATOM 2178 CD LYS A 139 23.761 -6.438 4.610 0.05 0.00 C ATOM 2179 CE LYS A 139 25.167 -6.834 4.192 0.55 0.00 C ATOM 2180 NZ LYS A 139 26.190 -6.376 5.172 0.99 0.00 N ATOM 0 H LYS A 139 22.048 -3.011 3.287 0.29 0.00 H new ATOM 0 HA LYS A 139 21.322 -5.710 3.674 0.15 0.00 H new ATOM 0 HB2 LYS A 139 22.241 -3.489 5.529 0.14 0.00 H new ATOM 0 HB3 LYS A 139 21.947 -5.120 6.097 0.14 0.00 H new ATOM 0 HG2 LYS A 139 23.901 -4.427 3.873 0.07 0.00 H new ATOM 0 HG3 LYS A 139 24.356 -4.606 5.556 0.07 0.00 H new ATOM 0 HD2 LYS A 139 23.499 -6.947 5.538 0.05 0.00 H new ATOM 0 HD3 LYS A 139 23.049 -6.768 3.854 0.05 0.00 H new ATOM 0 HE2 LYS A 139 25.223 -7.918 4.089 0.55 0.00 H new ATOM 0 HE3 LYS A 139 25.387 -6.409 3.213 0.55 0.00 H new ATOM 0 HZ1 LYS A 139 27.092 -6.859 4.984 0.99 0.00 H new ATOM 0 HZ2 LYS A 139 26.322 -5.348 5.081 0.99 0.00 H new ATOM 0 HZ3 LYS A 139 25.872 -6.600 6.136 0.99 0.00 H new ATOM 2194 N ARG A 140 19.234 -3.458 4.810 1.00 0.00 N ATOM 2195 CA ARG A 140 17.902 -3.260 5.370 0.34 0.00 C ATOM 2196 C ARG A 140 16.832 -3.868 4.467 0.26 0.00 C ATOM 2197 O ARG A 140 15.818 -4.374 4.946 0.14 0.00 O ATOM 2198 CB ARG A 140 17.626 -1.768 5.570 0.07 0.00 C ATOM 2199 CG ARG A 140 16.282 -1.476 6.217 0.10 0.00 C ATOM 2200 CD ARG A 140 16.203 -2.044 7.625 0.64 0.00 C ATOM 2201 NE ARG A 140 17.238 -1.496 8.497 1.00 0.00 N ATOM 2202 CZ ARG A 140 17.440 -1.903 9.748 1.00 0.00 C ATOM 2203 NH1 ARG A 140 16.674 -2.853 10.269 0.59 0.00 N ATOM 2204 NH2 ARG A 140 18.403 -1.359 10.477 1.00 0.00 N ATOM 0 H ARG A 140 19.690 -2.602 4.493 1.00 0.00 H new ATOM 0 HA ARG A 140 17.865 -3.764 6.336 0.34 0.00 H new ATOM 0 HB2 ARG A 140 18.417 -1.341 6.187 0.07 0.00 H new ATOM 0 HB3 ARG A 140 17.670 -1.267 4.603 0.07 0.00 H new ATOM 0 HG2 ARG A 140 16.120 -0.399 6.249 0.10 0.00 H new ATOM 0 HG3 ARG A 140 15.484 -1.901 5.608 0.10 0.00 H new ATOM 0 HD2 ARG A 140 15.222 -1.828 8.048 0.64 0.00 H new ATOM 0 HD3 ARG A 140 16.301 -3.129 7.584 0.64 0.00 H new ATOM 0 HE ARG A 140 17.840 -0.760 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 140 15.930 -3.272 9.711 0.59 0.00 H new ATOM 0 HH12 ARG A 140 16.829 -3.165 11.228 0.59 0.00 H new ATOM 0 HH21 ARG A 140 18.991 -0.627 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 140 18.556 -1.672 11.436 1.00 0.00 H new ATOM 2218 N VAL A 141 17.067 -3.815 3.159 0.14 0.00 N ATOM 2219 CA VAL A 141 16.123 -4.356 2.190 0.66 0.00 C ATOM 2220 C VAL A 141 16.004 -5.870 2.324 0.51 0.00 C ATOM 2221 O VAL A 141 14.901 -6.414 2.371 0.07 0.00 O ATOM 2222 CB VAL A 141 16.538 -4.007 0.747 1.00 0.00 C ATOM 2223 CG1 VAL A 141 15.533 -4.562 -0.251 0.10 0.00 C ATOM 2224 CG2 VAL A 141 16.685 -2.501 0.585 0.27 0.00 C ATOM 0 H VAL A 141 17.904 -3.402 2.747 0.14 0.00 H new ATOM 0 HA VAL A 141 15.156 -3.900 2.401 0.66 0.00 H new ATOM 0 HB VAL A 141 17.504 -4.469 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 141 15.845 -4.304 -1.263 0.10 0.00 H new ATOM 0 HG12 VAL A 141 15.483 -5.646 -0.152 0.10 0.00 H new ATOM 0 HG13 VAL A 141 14.550 -4.134 -0.054 0.10 0.00 H new ATOM 0 HG21 VAL A 141 16.978 -2.272 -0.440 0.27 0.00 H new ATOM 0 HG22 VAL A 141 15.734 -2.017 0.807 0.27 0.00 H new ATOM 0 HG23 VAL A 141 17.448 -2.134 1.271 0.27 0.00 H new ATOM 2234 N SER A 142 17.146 -6.545 2.387 0.06 0.00 N ATOM 2235 CA SER A 142 17.172 -7.998 2.514 0.88 0.00 C ATOM 2236 C SER A 142 16.602 -8.439 3.858 0.39 0.00 C ATOM 2237 O SER A 142 16.031 -9.522 3.976 0.08 0.00 O ATOM 2238 CB SER A 142 18.601 -8.519 2.356 0.41 0.00 C ATOM 2239 OG SER A 142 19.459 -7.966 3.341 1.00 0.00 O ATOM 0 H SER A 142 18.067 -6.109 2.352 0.06 0.00 H new ATOM 0 HA SER A 142 16.550 -8.417 1.723 0.88 0.00 H new ATOM 0 HB2 SER A 142 18.606 -9.606 2.435 0.41 0.00 H new ATOM 0 HB3 SER A 142 18.974 -8.270 1.363 0.41 0.00 H new ATOM 0 HG SER A 142 19.019 -7.200 3.765 1.00 0.00 H new ATOM 2245 N ALA A 143 16.765 -7.593 4.871 0.28 0.00 N ATOM 2246 CA ALA A 143 16.270 -7.897 6.208 0.98 0.00 C ATOM 2247 C ALA A 143 14.745 -7.891 6.254 0.13 0.00 C ATOM 2248 O ALA A 143 14.123 -8.891 6.613 0.43 0.00 O ATOM 2249 CB ALA A 143 16.832 -6.903 7.214 0.13 0.00 C ATOM 0 H ALA A 143 17.236 -6.692 4.791 0.28 0.00 H new ATOM 0 HA ALA A 143 16.607 -8.900 6.470 0.98 0.00 H new ATOM 0 HB1 ALA A 143 16.455 -7.140 8.209 0.13 0.00 H new ATOM 0 HB2 ALA A 143 17.920 -6.962 7.214 0.13 0.00 H new ATOM 0 HB3 ALA A 143 16.523 -5.894 6.940 0.13 0.00 H new ATOM 2255 N ILE A 144 14.149 -6.762 5.884 1.00 0.00 N ATOM 2256 CA ILE A 144 12.695 -6.619 5.895 0.08 0.00 C ATOM 2257 C ILE A 144 12.019 -7.660 5.005 0.31 0.00 C ATOM 2258 O ILE A 144 10.902 -8.094 5.287 0.14 0.00 O ATOM 2259 CB ILE A 144 12.266 -5.210 5.441 0.10 0.00 C ATOM 2260 CG1 ILE A 144 12.762 -4.928 4.020 1.00 0.00 C ATOM 2261 CG2 ILE A 144 12.794 -4.162 6.413 0.12 0.00 C ATOM 2262 CD1 ILE A 144 12.267 -3.613 3.453 0.21 0.00 C ATOM 0 H ILE A 144 14.651 -5.930 5.572 1.00 0.00 H new ATOM 0 HA ILE A 144 12.376 -6.776 6.925 0.08 0.00 H new ATOM 0 HB ILE A 144 11.177 -5.161 5.436 0.10 0.00 H new ATOM 0 HG12 ILE A 144 13.852 -4.927 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 144 12.443 -5.739 3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 144 12.485 -3.170 6.082 0.12 0.00 H new ATOM 0 HG22 ILE A 144 12.393 -4.354 7.408 0.12 0.00 H new ATOM 0 HG23 ILE A 144 13.882 -4.211 6.445 0.12 0.00 H new ATOM 0 HD11 ILE A 144 12.659 -3.481 2.444 0.21 0.00 H new ATOM 0 HD12 ILE A 144 11.177 -3.617 3.422 0.21 0.00 H new ATOM 0 HD13 ILE A 144 12.608 -2.793 4.085 0.21 0.00 H new ATOM 2274 N VAL A 145 12.700 -8.057 3.934 0.21 0.00 N ATOM 2275 CA VAL A 145 12.156 -9.044 3.009 0.61 0.00 C ATOM 2276 C VAL A 145 12.241 -10.454 3.591 1.00 0.00 C ATOM 2277 O VAL A 145 11.302 -11.240 3.470 1.00 0.00 O ATOM 2278 CB VAL A 145 12.893 -9.006 1.652 0.53 0.00 C ATOM 2279 CG1 VAL A 145 12.531 -10.215 0.800 0.17 0.00 C ATOM 2280 CG2 VAL A 145 12.573 -7.719 0.908 0.74 0.00 C ATOM 0 H VAL A 145 13.627 -7.711 3.686 0.21 0.00 H new ATOM 0 HA VAL A 145 11.108 -8.788 2.851 0.61 0.00 H new ATOM 0 HB VAL A 145 13.965 -9.038 1.849 0.53 0.00 H new ATOM 0 HG11 VAL A 145 13.063 -10.163 -0.150 0.17 0.00 H new ATOM 0 HG12 VAL A 145 12.813 -11.128 1.325 0.17 0.00 H new ATOM 0 HG13 VAL A 145 11.457 -10.221 0.614 0.17 0.00 H new ATOM 0 HG21 VAL A 145 13.101 -7.709 -0.046 0.74 0.00 H new ATOM 0 HG22 VAL A 145 11.499 -7.659 0.729 0.74 0.00 H new ATOM 0 HG23 VAL A 145 12.889 -6.865 1.506 0.74 0.00 H new ATOM 2290 N GLU A 146 13.369 -10.763 4.226 0.09 0.00 N ATOM 2291 CA GLU A 146 13.575 -12.080 4.821 0.14 0.00 C ATOM 2292 C GLU A 146 12.527 -12.368 5.892 0.82 0.00 C ATOM 2293 O GLU A 146 12.102 -13.512 6.065 0.56 0.00 O ATOM 2294 CB GLU A 146 14.978 -12.178 5.422 0.38 0.00 C ATOM 2295 CG GLU A 146 15.315 -13.558 5.962 1.00 0.00 C ATOM 2296 CD GLU A 146 16.747 -13.657 6.451 0.25 0.00 C ATOM 2297 OE1 GLU A 146 17.004 -13.289 7.616 0.56 0.00 O ATOM 2298 OE2 GLU A 146 17.611 -14.105 5.669 0.52 0.00 O ATOM 0 H GLU A 146 14.153 -10.120 4.341 0.09 0.00 H new ATOM 0 HA GLU A 146 13.472 -12.825 4.032 0.14 0.00 H new ATOM 0 HB2 GLU A 146 15.710 -11.906 4.661 0.38 0.00 H new ATOM 0 HB3 GLU A 146 15.071 -11.450 6.228 0.38 0.00 H new ATOM 0 HG2 GLU A 146 14.637 -13.799 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 146 15.149 -14.300 5.181 1.00 0.00 H new ATOM 2305 N GLN A 147 12.113 -11.328 6.608 0.16 0.00 N ATOM 2306 CA GLN A 147 11.113 -11.472 7.660 0.28 0.00 C ATOM 2307 C GLN A 147 9.797 -11.991 7.088 0.08 0.00 C ATOM 2308 O GLN A 147 9.127 -12.822 7.702 0.44 0.00 O ATOM 2309 CB GLN A 147 10.883 -10.135 8.366 0.84 0.00 C ATOM 2310 CG GLN A 147 12.113 -9.610 9.090 0.23 0.00 C ATOM 2311 CD GLN A 147 11.851 -8.302 9.814 0.98 0.00 C ATOM 2312 OE1 GLN A 147 11.020 -7.500 9.389 1.00 0.00 O ATOM 2313 NE2 GLN A 147 12.561 -8.082 10.914 0.11 0.00 N ATOM 0 H GLN A 147 12.455 -10.376 6.479 0.16 0.00 H new ATOM 0 HA GLN A 147 11.487 -12.195 8.385 0.28 0.00 H new ATOM 0 HB2 GLN A 147 10.561 -9.397 7.632 0.84 0.00 H new ATOM 0 HB3 GLN A 147 10.070 -10.247 9.083 0.84 0.00 H new ATOM 0 HG2 GLN A 147 12.454 -10.356 9.808 0.23 0.00 H new ATOM 0 HG3 GLN A 147 12.920 -9.468 8.371 0.23 0.00 H new ATOM 0 HE21 GLN A 147 13.240 -8.775 11.230 0.11 0.00 H new ATOM 0 HE22 GLN A 147 12.428 -7.220 11.443 0.11 0.00 H new ATOM 2322 N SER A 148 9.436 -11.493 5.910 0.13 0.00 N ATOM 2323 CA SER A 148 8.200 -11.903 5.252 0.69 0.00 C ATOM 2324 C SER A 148 8.475 -12.977 4.204 0.20 0.00 C ATOM 2325 O SER A 148 7.596 -13.332 3.419 0.58 0.00 O ATOM 2326 CB SER A 148 7.525 -10.695 4.598 0.18 0.00 C ATOM 2327 OG SER A 148 7.243 -9.690 5.555 1.00 0.00 O ATOM 0 H SER A 148 9.982 -10.805 5.391 0.13 0.00 H new ATOM 0 HA SER A 148 7.533 -12.320 6.007 0.69 0.00 H new ATOM 0 HB2 SER A 148 8.172 -10.290 3.820 0.18 0.00 H new ATOM 0 HB3 SER A 148 6.601 -11.009 4.113 0.18 0.00 H new ATOM 0 HG SER A 148 6.814 -8.928 5.113 1.00 0.00 H new ATOM 2333 N TRP A 149 9.701 -13.489 4.203 1.00 0.00 N ATOM 2334 CA TRP A 149 10.101 -14.523 3.255 0.10 0.00 C ATOM 2335 C TRP A 149 9.894 -15.912 3.852 1.00 0.00 C ATOM 2336 O TRP A 149 9.780 -16.062 5.068 0.79 0.00 O ATOM 2337 CB TRP A 149 11.570 -14.336 2.868 0.57 0.00 C ATOM 2338 CG TRP A 149 11.872 -14.743 1.459 0.40 0.00 C ATOM 2339 CD1 TRP A 149 11.738 -13.971 0.341 0.06 0.00 C ATOM 2340 CD2 TRP A 149 12.361 -16.014 1.015 1.00 0.00 C ATOM 2341 NE1 TRP A 149 12.113 -14.684 -0.772 0.21 0.00 N ATOM 2342 CE2 TRP A 149 12.499 -15.941 -0.385 0.07 0.00 C ATOM 2343 CE3 TRP A 149 12.696 -17.205 1.665 1.00 0.00 C ATOM 2344 CZ2 TRP A 149 12.957 -17.014 -1.145 0.72 0.00 C ATOM 2345 CZ3 TRP A 149 13.150 -18.270 0.908 0.08 0.00 C ATOM 2346 CH2 TRP A 149 13.277 -18.169 -0.483 0.32 0.00 C ATOM 0 H TRP A 149 10.437 -13.204 4.850 1.00 0.00 H new ATOM 0 HA TRP A 149 9.479 -14.433 2.364 0.10 0.00 H new ATOM 0 HB2 TRP A 149 11.843 -13.289 3.002 0.57 0.00 H new ATOM 0 HB3 TRP A 149 12.194 -14.917 3.547 0.57 0.00 H new ATOM 0 HD1 TRP A 149 11.388 -12.949 0.333 0.06 0.00 H new ATOM 0 HE1 TRP A 149 12.105 -14.335 -1.730 0.21 0.00 H new ATOM 0 HE3 TRP A 149 12.602 -17.292 2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 13.056 -16.938 -2.218 0.72 0.00 H new ATOM 0 HZ3 TRP A 149 13.411 -19.196 1.399 0.08 0.00 H new ATOM 0 HH2 TRP A 149 13.635 -19.019 -1.045 0.32 0.00 H new