USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 987 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 110 GLN : amide:sc= -0.593 K(o=-0.42,f=-1.6) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.177 K(o=-0.42,f=-10!) USER MOD Set 2.1: A 103 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-0.62) USER MOD Set 2.2: A 105 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 51 GLN :FLIP amide:sc= 0.144 F(o=-0.47,f=1) USER MOD Set 3.2: A 99 THR OG1 : rot 164:sc= 0.859 USER MOD Set 4.1: A 42 SER OG : rot -104:sc= 0.42 USER MOD Set 4.2: A 44 ASN : amide:sc= 0.227 K(o=0.65,f=-2.3!) USER MOD Set 5.1: A 40 SER OG : rot 147:sc= 0.96 USER MOD Set 5.2: A 45 SER OG : rot -160:sc= 0.835 USER MOD Set 5.3: A 47 HIS : no HE2:sc= 0.424 K(o=2.2,f=-0.4!) USER MOD Set 6.1: A 5 HIS : no HD1:sc= -0.103 X(o=-0.21,f=0) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -0.103 X(o=-0.21,f=0.021) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0678 (180deg=-0.42) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0357 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0295 X(o=-0.029,f=-0.51) USER MOD Single : A 7 HIS :FLIP no HD1:sc= -0.038 F(o=-0.62,f=-0.038) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=-0.053) USER MOD Single : A 11 MET CE :methyl 163:sc= -0.0316 (180deg=-0.332) USER MOD Single : A 15 SER OG : rot -11:sc= 0.367 USER MOD Single : A 16 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.011) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -144:sc= 1.04 (180deg=0.18) USER MOD Single : A 26 THR OG1 : rot 72:sc= 0.714 USER MOD Single : A 29 SER OG : rot -37:sc= 0.228 USER MOD Single : A 33 THR OG1 : rot 90:sc= -0.947 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.731 X(o=-0.73,f=-0.56) USER MOD Single : A 56 LYS NZ :NH3+ -123:sc= 0.124 (180deg=-1.79!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc=-0.00103 (180deg=-0.0496) USER MOD Single : A 65 HIS : no HE2:sc= 0.202 K(o=0.2,f=-1) USER MOD Single : A 66 ASN : amide:sc= -0.642 K(o=-0.64,f=-3.7!) USER MOD Single : A 67 ASN : amide:sc= -0.0968 K(o=-0.097,f=-6.2!) USER MOD Single : A 68 MET CE :methyl 167:sc= -1.48 (180deg=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.771 K(o=0.77,f=-5.6!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.371 F(o=-1.2,f=-0.37) USER MOD Single : A 77 MET CE :methyl -177:sc= -0.323 (180deg=-0.387) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0462) USER MOD Single : A 85 HIS : no HE2:sc= -0.043 K(o=-0.043,f=-2.1!) USER MOD Single : A 88 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.34) USER MOD Single : A 93 LYS NZ :NH3+ -157:sc= 0.517 (180deg=0.271) USER MOD Single : A 102 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.1) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.0682 F(o=-1.9!,f=-0.068) USER MOD Single : A 118 LYS NZ :NH3+ -117:sc= 0.181 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 88:sc= 1.24 USER MOD Single : A 125 SER OG : rot 180:sc= -0.0737 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.359 -40.484 -6.976 1.00 0.00 N ATOM 2 CA MET A 1 24.873 -39.170 -7.411 1.00 52.33 C ATOM 3 C MET A 1 25.075 -39.159 -8.933 1.00 75.33 C ATOM 4 O MET A 1 25.411 -40.191 -9.525 1.00 65.55 O ATOM 5 CB MET A 1 26.211 -38.838 -6.693 1.00 64.20 C ATOM 6 CG MET A 1 27.354 -39.844 -6.954 1.00 10.32 C ATOM 7 SD MET A 1 28.942 -39.331 -6.253 1.00 24.43 S ATOM 8 CE MET A 1 29.306 -37.838 -7.183 1.00 12.52 C ATOM 0 H1 MET A 1 24.913 -40.822 -6.163 1.00 0.00 H new ATOM 0 H2 MET A 1 23.360 -40.392 -6.700 1.00 0.00 H new ATOM 0 H3 MET A 1 24.441 -41.165 -7.758 1.00 0.00 H new ATOM 0 HA MET A 1 24.140 -38.409 -7.144 1.00 52.33 H new ATOM 0 HB2 MET A 1 26.539 -37.847 -7.007 1.00 64.20 H new ATOM 0 HB3 MET A 1 26.028 -38.788 -5.620 1.00 64.20 H new ATOM 0 HG2 MET A 1 27.077 -40.812 -6.537 1.00 10.32 H new ATOM 0 HG3 MET A 1 27.468 -39.981 -8.029 1.00 10.32 H new ATOM 0 HE1 MET A 1 30.366 -37.602 -7.092 1.00 12.52 H new ATOM 0 HE2 MET A 1 29.057 -37.994 -8.233 1.00 12.52 H new ATOM 0 HE3 MET A 1 28.715 -37.011 -6.789 1.00 12.52 H new ATOM 20 N GLY A 2 24.815 -37.996 -9.559 1.00 24.44 N ATOM 21 CA GLY A 2 25.172 -37.747 -10.963 1.00 74.30 C ATOM 22 C GLY A 2 24.198 -38.306 -12.010 1.00 60.51 C ATOM 23 O GLY A 2 24.081 -37.741 -13.107 1.00 30.30 O ATOM 0 H GLY A 2 24.353 -37.207 -9.106 1.00 24.44 H new ATOM 0 HA2 GLY A 2 25.256 -36.670 -11.111 1.00 74.30 H new ATOM 0 HA3 GLY A 2 26.158 -38.172 -11.148 1.00 74.30 H new ATOM 27 N HIS A 3 23.494 -39.407 -11.678 1.00 72.43 N ATOM 28 CA HIS A 3 22.639 -40.144 -12.639 1.00 74.41 C ATOM 29 C HIS A 3 21.348 -39.373 -12.969 1.00 50.42 C ATOM 30 O HIS A 3 20.751 -39.590 -14.027 1.00 61.20 O ATOM 31 CB HIS A 3 22.297 -41.563 -12.117 1.00 32.41 C ATOM 32 CG HIS A 3 23.498 -42.419 -11.835 1.00 23.05 C ATOM 33 ND1 HIS A 3 24.327 -42.900 -12.826 1.00 25.13 N ATOM 34 CD2 HIS A 3 24.011 -42.877 -10.669 1.00 54.21 C ATOM 35 CE1 HIS A 3 25.296 -43.606 -12.281 1.00 62.13 C ATOM 36 NE2 HIS A 3 25.126 -43.609 -10.976 1.00 40.34 N ATOM 0 H HIS A 3 23.500 -39.811 -10.742 1.00 72.43 H new ATOM 0 HA HIS A 3 23.215 -40.243 -13.559 1.00 74.41 H new ATOM 0 HB2 HIS A 3 21.708 -41.470 -11.205 1.00 32.41 H new ATOM 0 HB3 HIS A 3 21.669 -42.067 -12.852 1.00 32.41 H new ATOM 0 HD2 HIS A 3 23.614 -42.698 -9.681 1.00 54.21 H new ATOM 0 HE1 HIS A 3 26.095 -44.099 -12.815 1.00 62.13 H new ATOM 0 HE2 HIS A 3 25.728 -44.081 -10.302 1.00 40.34 H new ATOM 45 N HIS A 4 20.943 -38.452 -12.073 1.00 43.54 N ATOM 46 CA HIS A 4 19.763 -37.573 -12.278 1.00 21.33 C ATOM 47 C HIS A 4 20.149 -36.296 -13.074 1.00 20.21 C ATOM 48 O HIS A 4 19.517 -35.240 -12.921 1.00 14.24 O ATOM 49 CB HIS A 4 19.137 -37.205 -10.902 1.00 4.15 C ATOM 50 CG HIS A 4 19.974 -36.264 -10.060 1.00 33.34 C ATOM 51 ND1 HIS A 4 19.788 -34.895 -10.062 1.00 3.11 N ATOM 52 CD2 HIS A 4 21.003 -36.493 -9.207 1.00 15.32 C ATOM 53 CE1 HIS A 4 20.658 -34.331 -9.256 1.00 14.31 C ATOM 54 NE2 HIS A 4 21.407 -35.275 -8.726 1.00 31.14 N ATOM 0 H HIS A 4 21.421 -38.292 -11.186 1.00 43.54 H new ATOM 0 HA HIS A 4 19.022 -38.113 -12.868 1.00 21.33 H new ATOM 0 HB2 HIS A 4 18.161 -36.749 -11.072 1.00 4.15 H new ATOM 0 HB3 HIS A 4 18.967 -38.122 -10.338 1.00 4.15 H new ATOM 0 HD2 HIS A 4 21.425 -37.455 -8.954 1.00 15.32 H new ATOM 0 HE1 HIS A 4 20.744 -33.272 -9.061 1.00 14.31 H new ATOM 0 HE2 HIS A 4 22.167 -35.124 -8.063 1.00 31.14 H new ATOM 63 N HIS A 5 21.142 -36.450 -13.969 1.00 13.44 N ATOM 64 CA HIS A 5 21.773 -35.368 -14.753 1.00 1.32 C ATOM 65 C HIS A 5 20.729 -34.509 -15.500 1.00 23.24 C ATOM 66 O HIS A 5 20.895 -33.294 -15.638 1.00 71.33 O ATOM 67 CB HIS A 5 22.782 -36.013 -15.737 1.00 43.12 C ATOM 68 CG HIS A 5 23.668 -35.049 -16.481 1.00 73.25 C ATOM 69 ND1 HIS A 5 23.483 -34.713 -17.800 1.00 20.51 N ATOM 70 CD2 HIS A 5 24.789 -34.399 -16.090 1.00 1.35 C ATOM 71 CE1 HIS A 5 24.444 -33.897 -18.180 1.00 2.22 C ATOM 72 NE2 HIS A 5 25.251 -33.693 -17.165 1.00 11.43 N ATOM 0 H HIS A 5 21.543 -37.365 -14.175 1.00 13.44 H new ATOM 0 HA HIS A 5 22.292 -34.688 -14.078 1.00 1.32 H new ATOM 0 HB2 HIS A 5 23.414 -36.705 -15.180 1.00 43.12 H new ATOM 0 HB3 HIS A 5 22.226 -36.604 -16.465 1.00 43.12 H new ATOM 0 HD2 HIS A 5 25.237 -34.432 -15.108 1.00 1.35 H new ATOM 0 HE1 HIS A 5 24.551 -33.466 -19.165 1.00 2.22 H new ATOM 0 HE2 HIS A 5 26.084 -33.105 -17.177 1.00 11.43 H new ATOM 81 N HIS A 6 19.657 -35.167 -15.972 1.00 53.31 N ATOM 82 CA HIS A 6 18.441 -34.516 -16.497 1.00 63.04 C ATOM 83 C HIS A 6 17.206 -35.113 -15.790 1.00 2.44 C ATOM 84 O HIS A 6 16.563 -36.042 -16.295 1.00 2.52 O ATOM 85 CB HIS A 6 18.344 -34.641 -18.054 1.00 11.15 C ATOM 86 CG HIS A 6 19.159 -33.611 -18.809 1.00 1.14 C ATOM 87 ND1 HIS A 6 18.598 -32.695 -19.679 1.00 32.13 N ATOM 88 CD2 HIS A 6 20.484 -33.322 -18.786 1.00 43.33 C ATOM 89 CE1 HIS A 6 19.535 -31.896 -20.145 1.00 44.12 C ATOM 90 NE2 HIS A 6 20.686 -32.253 -19.614 1.00 70.10 N ATOM 0 H HIS A 6 19.609 -36.185 -16.001 1.00 53.31 H new ATOM 0 HA HIS A 6 18.486 -33.448 -16.284 1.00 63.04 H new ATOM 0 HB2 HIS A 6 18.674 -35.637 -18.349 1.00 11.15 H new ATOM 0 HB3 HIS A 6 17.299 -34.550 -18.351 1.00 11.15 H new ATOM 0 HD2 HIS A 6 21.241 -33.841 -18.217 1.00 43.33 H new ATOM 0 HE1 HIS A 6 19.385 -31.086 -20.844 1.00 44.12 H new ATOM 0 HE2 HIS A 6 21.584 -31.804 -19.792 1.00 70.10 H new ATOM 99 N HIS A 7 16.945 -34.618 -14.565 1.00 34.33 N ATOM 100 CA HIS A 7 15.726 -34.911 -13.796 1.00 34.12 C ATOM 101 C HIS A 7 15.088 -33.583 -13.374 1.00 32.11 C ATOM 102 O HIS A 7 15.573 -32.924 -12.440 1.00 61.45 O ATOM 103 CB HIS A 7 16.052 -35.789 -12.553 1.00 10.12 C ATOM 104 CG HIS A 7 14.856 -36.123 -11.679 1.00 23.02 C ATOM 105 ND1 HIS A 7 14.305 -35.468 -10.621 1.00 24.40 N flip ATOM 106 CD2 HIS A 7 14.098 -37.260 -11.838 1.00 12.11 C flip ATOM 107 CE1 HIS A 7 13.243 -36.212 -10.184 1.00 41.53 C flip ATOM 108 NE2 HIS A 7 13.140 -37.290 -10.931 1.00 1.01 N flip ATOM 0 H HIS A 7 17.587 -33.994 -14.077 1.00 34.33 H new ATOM 0 HA HIS A 7 15.028 -35.474 -14.415 1.00 34.12 H new ATOM 0 HB2 HIS A 7 16.508 -36.719 -12.892 1.00 10.12 H new ATOM 0 HB3 HIS A 7 16.795 -35.273 -11.946 1.00 10.12 H new ATOM 0 HD2 HIS A 7 14.262 -38.015 -12.592 1.00 12.11 H new ATOM 0 HE1 HIS A 7 12.594 -35.956 -9.359 1.00 41.53 H new ATOM 0 HE2 HIS A 7 12.439 -38.024 -10.827 1.00 1.01 H new ATOM 117 N HIS A 8 14.034 -33.173 -14.095 1.00 52.21 N ATOM 118 CA HIS A 8 13.229 -31.997 -13.740 1.00 24.22 C ATOM 119 C HIS A 8 12.334 -32.340 -12.536 1.00 22.31 C ATOM 120 O HIS A 8 11.249 -32.915 -12.693 1.00 43.22 O ATOM 121 CB HIS A 8 12.391 -31.512 -14.964 1.00 63.51 C ATOM 122 CG HIS A 8 11.474 -30.338 -14.668 1.00 44.24 C ATOM 123 ND1 HIS A 8 11.874 -29.022 -14.770 1.00 13.04 N ATOM 124 CD2 HIS A 8 10.176 -30.293 -14.258 1.00 32.41 C ATOM 125 CE1 HIS A 8 10.876 -28.228 -14.436 1.00 3.11 C ATOM 126 NE2 HIS A 8 9.840 -28.974 -14.122 1.00 4.23 N ATOM 0 H HIS A 8 13.717 -33.648 -14.940 1.00 52.21 H new ATOM 0 HA HIS A 8 13.887 -31.175 -13.459 1.00 24.22 H new ATOM 0 HB2 HIS A 8 13.072 -31.232 -15.768 1.00 63.51 H new ATOM 0 HB3 HIS A 8 11.790 -32.344 -15.331 1.00 63.51 H new ATOM 0 HD2 HIS A 8 9.532 -31.140 -14.075 1.00 32.41 H new ATOM 0 HE1 HIS A 8 10.905 -27.148 -14.423 1.00 3.11 H new ATOM 0 HE2 HIS A 8 8.929 -28.624 -13.824 1.00 4.23 H new ATOM 135 N SER A 9 12.839 -32.060 -11.330 1.00 23.11 N ATOM 136 CA SER A 9 12.032 -32.082 -10.111 1.00 74.11 C ATOM 137 C SER A 9 11.418 -30.668 -9.967 1.00 61.12 C ATOM 138 O SER A 9 10.367 -30.400 -10.555 1.00 11.42 O ATOM 139 CB SER A 9 12.905 -32.514 -8.901 1.00 70.03 C ATOM 140 OG SER A 9 12.132 -32.712 -7.730 1.00 75.51 O ATOM 0 H SER A 9 13.816 -31.813 -11.174 1.00 23.11 H new ATOM 0 HA SER A 9 11.225 -32.813 -10.154 1.00 74.11 H new ATOM 0 HB2 SER A 9 13.433 -33.435 -9.146 1.00 70.03 H new ATOM 0 HB3 SER A 9 13.662 -31.753 -8.711 1.00 70.03 H new ATOM 0 HG SER A 9 12.718 -32.984 -6.993 1.00 75.51 H new ATOM 146 N HIS A 10 12.129 -29.751 -9.277 1.00 75.34 N ATOM 147 CA HIS A 10 11.801 -28.302 -9.215 1.00 62.33 C ATOM 148 C HIS A 10 13.073 -27.520 -8.858 1.00 62.04 C ATOM 149 O HIS A 10 13.901 -28.004 -8.080 1.00 21.11 O ATOM 150 CB HIS A 10 10.667 -27.977 -8.179 1.00 4.34 C ATOM 151 CG HIS A 10 9.269 -28.317 -8.643 1.00 20.40 C ATOM 152 ND1 HIS A 10 8.495 -29.300 -8.065 1.00 52.30 N ATOM 153 CD2 HIS A 10 8.519 -27.801 -9.650 1.00 11.21 C ATOM 154 CE1 HIS A 10 7.338 -29.374 -8.688 1.00 72.43 C ATOM 155 NE2 HIS A 10 7.328 -28.478 -9.653 1.00 31.23 N ATOM 0 H HIS A 10 12.960 -29.995 -8.738 1.00 75.34 H new ATOM 0 HA HIS A 10 11.425 -28.005 -10.194 1.00 62.33 H new ATOM 0 HB2 HIS A 10 10.871 -28.520 -7.256 1.00 4.34 H new ATOM 0 HB3 HIS A 10 10.707 -26.914 -7.939 1.00 4.34 H new ATOM 0 HD2 HIS A 10 8.807 -27.006 -10.322 1.00 11.21 H new ATOM 0 HE1 HIS A 10 6.534 -30.054 -8.449 1.00 72.43 H new ATOM 0 HE2 HIS A 10 6.556 -28.314 -10.300 1.00 31.23 H new ATOM 164 N MET A 11 13.233 -26.321 -9.447 1.00 1.44 N ATOM 165 CA MET A 11 14.301 -25.375 -9.064 1.00 45.24 C ATOM 166 C MET A 11 13.831 -24.556 -7.856 1.00 3.01 C ATOM 167 O MET A 11 12.621 -24.334 -7.694 1.00 14.31 O ATOM 168 CB MET A 11 14.675 -24.429 -10.239 1.00 74.20 C ATOM 169 CG MET A 11 15.257 -25.128 -11.476 1.00 14.14 C ATOM 170 SD MET A 11 15.928 -23.959 -12.684 1.00 23.11 S ATOM 171 CE MET A 11 17.389 -23.354 -11.835 1.00 31.13 C ATOM 0 H MET A 11 12.631 -25.981 -10.197 1.00 1.44 H new ATOM 0 HA MET A 11 15.194 -25.944 -8.806 1.00 45.24 H new ATOM 0 HB2 MET A 11 13.784 -23.876 -10.538 1.00 74.20 H new ATOM 0 HB3 MET A 11 15.399 -23.697 -9.880 1.00 74.20 H new ATOM 0 HG2 MET A 11 16.044 -25.815 -11.164 1.00 14.14 H new ATOM 0 HG3 MET A 11 14.480 -25.728 -11.949 1.00 14.14 H new ATOM 0 HE1 MET A 11 18.054 -22.873 -12.552 1.00 31.13 H new ATOM 0 HE2 MET A 11 17.094 -22.633 -11.073 1.00 31.13 H new ATOM 0 HE3 MET A 11 17.908 -24.189 -11.364 1.00 31.13 H new ATOM 181 N ALA A 12 14.795 -24.114 -7.034 1.00 62.03 N ATOM 182 CA ALA A 12 14.539 -23.357 -5.797 1.00 71.24 C ATOM 183 C ALA A 12 13.806 -22.029 -6.088 1.00 72.00 C ATOM 184 O ALA A 12 14.383 -21.104 -6.680 1.00 61.53 O ATOM 185 CB ALA A 12 15.863 -23.119 -5.046 1.00 41.33 C ATOM 0 H ALA A 12 15.787 -24.274 -7.211 1.00 62.03 H new ATOM 0 HA ALA A 12 13.880 -23.947 -5.159 1.00 71.24 H new ATOM 0 HB1 ALA A 12 15.667 -22.559 -4.132 1.00 41.33 H new ATOM 0 HB2 ALA A 12 16.316 -24.078 -4.794 1.00 41.33 H new ATOM 0 HB3 ALA A 12 16.544 -22.552 -5.680 1.00 41.33 H new ATOM 191 N GLY A 13 12.520 -21.984 -5.707 1.00 23.11 N ATOM 192 CA GLY A 13 11.688 -20.796 -5.845 1.00 1.15 C ATOM 193 C GLY A 13 10.414 -20.915 -5.000 1.00 30.41 C ATOM 194 O GLY A 13 9.308 -20.914 -5.549 1.00 32.14 O ATOM 0 H GLY A 13 12.033 -22.779 -5.293 1.00 23.11 H new ATOM 0 HA2 GLY A 13 12.252 -19.915 -5.537 1.00 1.15 H new ATOM 0 HA3 GLY A 13 11.422 -20.654 -6.892 1.00 1.15 H new ATOM 198 N PRO A 14 10.535 -20.992 -3.629 1.00 14.03 N ATOM 199 CA PRO A 14 9.384 -21.255 -2.728 1.00 10.43 C ATOM 200 C PRO A 14 8.549 -20.000 -2.414 1.00 12.01 C ATOM 201 O PRO A 14 7.540 -20.097 -1.718 1.00 1.42 O ATOM 202 CB PRO A 14 10.086 -21.781 -1.462 1.00 53.51 C ATOM 203 CG PRO A 14 11.354 -20.987 -1.397 1.00 20.24 C ATOM 204 CD PRO A 14 11.796 -20.799 -2.837 1.00 54.03 C ATOM 0 HA PRO A 14 8.660 -21.940 -3.169 1.00 10.43 H new ATOM 0 HB2 PRO A 14 9.474 -21.629 -0.573 1.00 53.51 H new ATOM 0 HB3 PRO A 14 10.287 -22.850 -1.532 1.00 53.51 H new ATOM 0 HG2 PRO A 14 11.190 -20.026 -0.909 1.00 20.24 H new ATOM 0 HG3 PRO A 14 12.115 -21.511 -0.819 1.00 20.24 H new ATOM 0 HD2 PRO A 14 12.222 -19.809 -2.998 1.00 54.03 H new ATOM 0 HD3 PRO A 14 12.560 -21.524 -3.119 1.00 54.03 H new ATOM 212 N SER A 15 8.978 -18.851 -2.970 1.00 50.11 N ATOM 213 CA SER A 15 8.431 -17.508 -2.701 1.00 32.03 C ATOM 214 C SER A 15 8.401 -17.181 -1.185 1.00 24.20 C ATOM 215 O SER A 15 9.374 -16.629 -0.662 1.00 0.12 O ATOM 216 CB SER A 15 7.062 -17.278 -3.417 1.00 64.34 C ATOM 217 OG SER A 15 6.076 -18.237 -3.060 1.00 43.02 O ATOM 0 H SER A 15 9.743 -18.832 -3.644 1.00 50.11 H new ATOM 0 HA SER A 15 9.118 -16.785 -3.141 1.00 32.03 H new ATOM 0 HB2 SER A 15 6.695 -16.281 -3.174 1.00 64.34 H new ATOM 0 HB3 SER A 15 7.214 -17.307 -4.496 1.00 64.34 H new ATOM 0 HG SER A 15 6.497 -18.969 -2.563 1.00 43.02 H new ATOM 223 N ASN A 16 7.314 -17.578 -0.487 1.00 43.40 N ATOM 224 CA ASN A 16 7.097 -17.292 0.955 1.00 61.35 C ATOM 225 C ASN A 16 6.963 -15.776 1.183 1.00 45.23 C ATOM 226 O ASN A 16 7.481 -15.213 2.161 1.00 45.53 O ATOM 227 CB ASN A 16 8.204 -17.946 1.862 1.00 52.22 C ATOM 228 CG ASN A 16 8.106 -19.475 2.015 1.00 34.12 C ATOM 229 OD1 ASN A 16 8.554 -20.031 3.018 1.00 4.12 O ATOM 230 ND2 ASN A 16 7.528 -20.181 1.046 1.00 11.30 N ATOM 0 H ASN A 16 6.554 -18.111 -0.909 1.00 43.40 H new ATOM 0 HA ASN A 16 6.158 -17.756 1.258 1.00 61.35 H new ATOM 0 HB2 ASN A 16 9.182 -17.700 1.448 1.00 52.22 H new ATOM 0 HB3 ASN A 16 8.154 -17.494 2.852 1.00 52.22 H new ATOM 0 HD21 ASN A 16 7.452 -21.195 1.129 1.00 11.30 H new ATOM 0 HD22 ASN A 16 7.161 -19.708 0.220 1.00 11.30 H new ATOM 237 N VAL A 17 6.263 -15.125 0.235 1.00 11.13 N ATOM 238 CA VAL A 17 5.852 -13.723 0.349 1.00 14.53 C ATOM 239 C VAL A 17 4.830 -13.586 1.504 1.00 31.14 C ATOM 240 O VAL A 17 3.847 -14.341 1.520 1.00 53.20 O ATOM 241 CB VAL A 17 5.183 -13.202 -0.984 1.00 34.31 C ATOM 242 CG1 VAL A 17 4.801 -11.711 -0.857 1.00 71.12 C ATOM 243 CG2 VAL A 17 6.086 -13.462 -2.216 1.00 22.02 C ATOM 0 H VAL A 17 5.967 -15.565 -0.636 1.00 11.13 H new ATOM 0 HA VAL A 17 6.743 -13.126 0.544 1.00 14.53 H new ATOM 0 HB VAL A 17 4.265 -13.768 -1.142 1.00 34.31 H new ATOM 0 HG11 VAL A 17 4.342 -11.373 -1.786 1.00 71.12 H new ATOM 0 HG12 VAL A 17 4.095 -11.585 -0.036 1.00 71.12 H new ATOM 0 HG13 VAL A 17 5.696 -11.122 -0.659 1.00 71.12 H new ATOM 0 HG21 VAL A 17 5.592 -13.090 -3.114 1.00 22.02 H new ATOM 0 HG22 VAL A 17 7.037 -12.947 -2.085 1.00 22.02 H new ATOM 0 HG23 VAL A 17 6.264 -14.533 -2.317 1.00 22.02 H new ATOM 253 N PRO A 18 5.055 -12.667 2.503 1.00 23.20 N ATOM 254 CA PRO A 18 4.025 -12.300 3.508 1.00 30.12 C ATOM 255 C PRO A 18 2.675 -11.933 2.843 1.00 43.04 C ATOM 256 O PRO A 18 2.659 -11.201 1.840 1.00 45.21 O ATOM 257 CB PRO A 18 4.660 -11.079 4.225 1.00 51.21 C ATOM 258 CG PRO A 18 6.134 -11.333 4.134 1.00 61.41 C ATOM 259 CD PRO A 18 6.340 -11.944 2.761 1.00 55.44 C ATOM 0 HA PRO A 18 3.782 -13.118 4.186 1.00 30.12 H new ATOM 0 HB2 PRO A 18 4.385 -10.143 3.739 1.00 51.21 H new ATOM 0 HB3 PRO A 18 4.330 -11.008 5.261 1.00 51.21 H new ATOM 0 HG2 PRO A 18 6.702 -10.409 4.245 1.00 61.41 H new ATOM 0 HG3 PRO A 18 6.468 -12.009 4.921 1.00 61.41 H new ATOM 0 HD2 PRO A 18 6.529 -11.181 2.006 1.00 55.44 H new ATOM 0 HD3 PRO A 18 7.192 -12.623 2.748 1.00 55.44 H new ATOM 267 N ALA A 19 1.571 -12.489 3.391 1.00 12.41 N ATOM 268 CA ALA A 19 0.191 -12.286 2.893 1.00 4.41 C ATOM 269 C ALA A 19 -0.156 -10.798 2.749 1.00 45.15 C ATOM 270 O ALA A 19 -0.817 -10.397 1.785 1.00 35.20 O ATOM 271 CB ALA A 19 -0.819 -12.981 3.818 1.00 41.45 C ATOM 0 H ALA A 19 1.614 -13.102 4.205 1.00 12.41 H new ATOM 0 HA ALA A 19 0.135 -12.733 1.900 1.00 4.41 H new ATOM 0 HB1 ALA A 19 -1.829 -12.823 3.439 1.00 41.45 H new ATOM 0 HB2 ALA A 19 -0.607 -14.050 3.851 1.00 41.45 H new ATOM 0 HB3 ALA A 19 -0.739 -12.565 4.822 1.00 41.45 H new ATOM 277 N PHE A 20 0.331 -9.998 3.718 1.00 13.31 N ATOM 278 CA PHE A 20 0.218 -8.534 3.705 1.00 45.14 C ATOM 279 C PHE A 20 0.732 -7.934 2.375 1.00 21.23 C ATOM 280 O PHE A 20 0.030 -7.153 1.739 1.00 71.11 O ATOM 281 CB PHE A 20 1.008 -7.922 4.901 1.00 25.23 C ATOM 282 CG PHE A 20 0.858 -6.403 5.032 1.00 71.33 C ATOM 283 CD1 PHE A 20 -0.198 -5.854 5.757 1.00 3.22 C ATOM 284 CD2 PHE A 20 1.745 -5.528 4.400 1.00 42.33 C ATOM 285 CE1 PHE A 20 -0.357 -4.487 5.852 1.00 24.33 C ATOM 286 CE2 PHE A 20 1.581 -4.164 4.492 1.00 32.33 C ATOM 287 CZ PHE A 20 0.532 -3.642 5.216 1.00 55.13 C ATOM 0 H PHE A 20 0.818 -10.358 4.538 1.00 13.31 H new ATOM 0 HA PHE A 20 -0.839 -8.284 3.801 1.00 45.14 H new ATOM 0 HB2 PHE A 20 0.670 -8.392 5.825 1.00 25.23 H new ATOM 0 HB3 PHE A 20 2.065 -8.164 4.788 1.00 25.23 H new ATOM 0 HD1 PHE A 20 -0.901 -6.508 6.251 1.00 3.22 H new ATOM 0 HD2 PHE A 20 2.571 -5.927 3.831 1.00 42.33 H new ATOM 0 HE1 PHE A 20 -1.177 -4.077 6.424 1.00 24.33 H new ATOM 0 HE2 PHE A 20 2.276 -3.503 3.996 1.00 32.33 H new ATOM 0 HZ PHE A 20 0.404 -2.572 5.287 1.00 55.13 H new ATOM 297 N LEU A 21 1.938 -8.360 1.958 1.00 70.32 N ATOM 298 CA LEU A 21 2.664 -7.753 0.823 1.00 15.33 C ATOM 299 C LEU A 21 2.099 -8.206 -0.530 1.00 23.24 C ATOM 300 O LEU A 21 1.941 -7.384 -1.442 1.00 61.41 O ATOM 301 CB LEU A 21 4.177 -8.092 0.904 1.00 33.25 C ATOM 302 CG LEU A 21 4.931 -7.526 2.143 1.00 63.04 C ATOM 303 CD1 LEU A 21 6.370 -8.069 2.197 1.00 3.12 C ATOM 304 CD2 LEU A 21 4.905 -5.979 2.159 1.00 73.32 C ATOM 0 H LEU A 21 2.438 -9.134 2.396 1.00 70.32 H new ATOM 0 HA LEU A 21 2.530 -6.674 0.895 1.00 15.33 H new ATOM 0 HB2 LEU A 21 4.288 -9.176 0.898 1.00 33.25 H new ATOM 0 HB3 LEU A 21 4.663 -7.717 0.003 1.00 33.25 H new ATOM 0 HG LEU A 21 4.412 -7.865 3.040 1.00 63.04 H new ATOM 0 HD11 LEU A 21 6.880 -7.662 3.070 1.00 3.12 H new ATOM 0 HD12 LEU A 21 6.346 -9.157 2.265 1.00 3.12 H new ATOM 0 HD13 LEU A 21 6.904 -7.774 1.294 1.00 3.12 H new ATOM 0 HD21 LEU A 21 5.440 -5.615 3.036 1.00 73.32 H new ATOM 0 HD22 LEU A 21 5.385 -5.598 1.258 1.00 73.32 H new ATOM 0 HD23 LEU A 21 3.872 -5.633 2.194 1.00 73.32 H new ATOM 316 N THR A 22 1.802 -9.516 -0.656 1.00 32.42 N ATOM 317 CA THR A 22 1.286 -10.090 -1.911 1.00 24.55 C ATOM 318 C THR A 22 -0.106 -9.497 -2.254 1.00 13.02 C ATOM 319 O THR A 22 -0.362 -9.147 -3.412 1.00 74.25 O ATOM 320 CB THR A 22 1.244 -11.660 -1.870 1.00 53.31 C ATOM 321 OG1 THR A 22 0.961 -12.181 -3.174 1.00 52.21 O ATOM 322 CG2 THR A 22 0.219 -12.220 -0.864 1.00 23.20 C ATOM 0 H THR A 22 1.912 -10.194 0.098 1.00 32.42 H new ATOM 0 HA THR A 22 1.980 -9.815 -2.705 1.00 24.55 H new ATOM 0 HB THR A 22 2.230 -11.981 -1.535 1.00 53.31 H new ATOM 0 HG1 THR A 22 0.939 -13.160 -3.137 1.00 52.21 H new ATOM 0 HG21 THR A 22 0.243 -13.309 -0.888 1.00 23.20 H new ATOM 0 HG22 THR A 22 0.467 -11.874 0.139 1.00 23.20 H new ATOM 0 HG23 THR A 22 -0.779 -11.873 -1.131 1.00 23.20 H new ATOM 330 N LYS A 23 -0.967 -9.344 -1.220 1.00 3.24 N ATOM 331 CA LYS A 23 -2.317 -8.767 -1.379 1.00 63.34 C ATOM 332 C LYS A 23 -2.254 -7.242 -1.503 1.00 71.33 C ATOM 333 O LYS A 23 -3.139 -6.644 -2.109 1.00 13.32 O ATOM 334 CB LYS A 23 -3.248 -9.201 -0.217 1.00 31.21 C ATOM 335 CG LYS A 23 -3.351 -10.736 -0.079 1.00 42.30 C ATOM 336 CD LYS A 23 -4.452 -11.192 0.899 1.00 62.23 C ATOM 337 CE LYS A 23 -5.860 -10.960 0.336 1.00 75.11 C ATOM 338 NZ LYS A 23 -6.917 -11.551 1.207 1.00 73.21 N ATOM 0 H LYS A 23 -0.745 -9.615 -0.262 1.00 3.24 H new ATOM 0 HA LYS A 23 -2.741 -9.155 -2.305 1.00 63.34 H new ATOM 0 HB2 LYS A 23 -2.877 -8.780 0.717 1.00 31.21 H new ATOM 0 HB3 LYS A 23 -4.243 -8.787 -0.380 1.00 31.21 H new ATOM 0 HG2 LYS A 23 -3.545 -11.169 -1.060 1.00 42.30 H new ATOM 0 HG3 LYS A 23 -2.391 -11.128 0.258 1.00 42.30 H new ATOM 0 HD2 LYS A 23 -4.322 -12.251 1.122 1.00 62.23 H new ATOM 0 HD3 LYS A 23 -4.346 -10.653 1.840 1.00 62.23 H new ATOM 0 HE2 LYS A 23 -6.035 -9.890 0.229 1.00 75.11 H new ATOM 0 HE3 LYS A 23 -5.927 -11.395 -0.661 1.00 75.11 H new ATOM 0 HZ1 LYS A 23 -7.685 -11.927 0.615 1.00 73.21 H new ATOM 0 HZ2 LYS A 23 -6.509 -12.321 1.774 1.00 73.21 H new ATOM 0 HZ3 LYS A 23 -7.295 -10.818 1.840 1.00 73.21 H new ATOM 352 N LEU A 24 -1.202 -6.626 -0.915 1.00 32.05 N ATOM 353 CA LEU A 24 -0.911 -5.190 -1.090 1.00 42.23 C ATOM 354 C LEU A 24 -0.689 -4.847 -2.574 1.00 73.30 C ATOM 355 O LEU A 24 -1.317 -3.924 -3.077 1.00 51.42 O ATOM 356 CB LEU A 24 0.324 -4.759 -0.249 1.00 0.22 C ATOM 357 CG LEU A 24 0.753 -3.258 -0.344 1.00 0.52 C ATOM 358 CD1 LEU A 24 -0.368 -2.305 0.131 1.00 75.33 C ATOM 359 CD2 LEU A 24 2.076 -3.018 0.419 1.00 51.54 C ATOM 0 H LEU A 24 -0.537 -7.109 -0.311 1.00 32.05 H new ATOM 0 HA LEU A 24 -1.779 -4.636 -0.733 1.00 42.23 H new ATOM 0 HB2 LEU A 24 0.120 -4.988 0.797 1.00 0.22 H new ATOM 0 HB3 LEU A 24 1.172 -5.374 -0.550 1.00 0.22 H new ATOM 0 HG LEU A 24 0.928 -3.029 -1.395 1.00 0.52 H new ATOM 0 HD11 LEU A 24 -0.027 -1.273 0.048 1.00 75.33 H new ATOM 0 HD12 LEU A 24 -1.253 -2.446 -0.490 1.00 75.33 H new ATOM 0 HD13 LEU A 24 -0.615 -2.523 1.170 1.00 75.33 H new ATOM 0 HD21 LEU A 24 2.356 -1.968 0.340 1.00 51.54 H new ATOM 0 HD22 LEU A 24 1.943 -3.280 1.469 1.00 51.54 H new ATOM 0 HD23 LEU A 24 2.863 -3.637 -0.013 1.00 51.54 H new ATOM 371 N TRP A 25 0.183 -5.608 -3.273 1.00 10.40 N ATOM 372 CA TRP A 25 0.412 -5.392 -4.721 1.00 5.15 C ATOM 373 C TRP A 25 -0.878 -5.662 -5.546 1.00 21.34 C ATOM 374 O TRP A 25 -1.193 -4.889 -6.461 1.00 74.31 O ATOM 375 CB TRP A 25 1.628 -6.205 -5.282 1.00 10.20 C ATOM 376 CG TRP A 25 1.719 -6.175 -6.810 1.00 1.41 C ATOM 377 CD1 TRP A 25 1.761 -7.246 -7.652 1.00 63.23 C ATOM 378 CD2 TRP A 25 1.692 -5.003 -7.666 1.00 50.21 C ATOM 379 NE1 TRP A 25 1.744 -6.827 -8.956 1.00 12.01 N ATOM 380 CE2 TRP A 25 1.702 -5.462 -8.992 1.00 51.11 C ATOM 381 CE3 TRP A 25 1.648 -3.616 -7.437 1.00 25.03 C ATOM 382 CZ2 TRP A 25 1.665 -4.599 -10.078 1.00 2.33 C ATOM 383 CZ3 TRP A 25 1.616 -2.759 -8.518 1.00 64.33 C ATOM 384 CH2 TRP A 25 1.620 -3.254 -9.823 1.00 32.41 C ATOM 0 H TRP A 25 0.732 -6.366 -2.867 1.00 10.40 H new ATOM 0 HA TRP A 25 0.673 -4.340 -4.832 1.00 5.15 H new ATOM 0 HB2 TRP A 25 2.550 -5.804 -4.861 1.00 10.20 H new ATOM 0 HB3 TRP A 25 1.550 -7.240 -4.949 1.00 10.20 H new ATOM 0 HD1 TRP A 25 1.802 -8.278 -7.336 1.00 63.23 H new ATOM 0 HE1 TRP A 25 1.760 -7.438 -9.772 1.00 12.01 H new ATOM 0 HE3 TRP A 25 1.639 -3.227 -6.429 1.00 25.03 H new ATOM 0 HZ2 TRP A 25 1.671 -4.975 -11.090 1.00 2.33 H new ATOM 0 HZ3 TRP A 25 1.588 -1.692 -8.352 1.00 64.33 H new ATOM 0 HH2 TRP A 25 1.587 -2.561 -10.650 1.00 32.41 H new ATOM 395 N THR A 26 -1.633 -6.724 -5.190 1.00 44.00 N ATOM 396 CA THR A 26 -2.922 -7.049 -5.854 1.00 0.13 C ATOM 397 C THR A 26 -3.900 -5.850 -5.752 1.00 2.41 C ATOM 398 O THR A 26 -4.625 -5.527 -6.694 1.00 60.54 O ATOM 399 CB THR A 26 -3.584 -8.312 -5.205 1.00 23.22 C ATOM 400 OG1 THR A 26 -2.600 -9.332 -5.007 1.00 41.21 O ATOM 401 CG2 THR A 26 -4.723 -8.884 -6.065 1.00 32.12 C ATOM 0 H THR A 26 -1.375 -7.373 -4.447 1.00 44.00 H new ATOM 0 HA THR A 26 -2.712 -7.259 -6.903 1.00 0.13 H new ATOM 0 HB THR A 26 -4.006 -7.994 -4.252 1.00 23.22 H new ATOM 0 HG1 THR A 26 -2.000 -9.070 -4.278 1.00 41.21 H new ATOM 0 HG21 THR A 26 -5.148 -9.758 -5.571 1.00 32.12 H new ATOM 0 HG22 THR A 26 -5.497 -8.127 -6.194 1.00 32.12 H new ATOM 0 HG23 THR A 26 -4.332 -9.173 -7.041 1.00 32.12 H new ATOM 409 N LEU A 27 -3.831 -5.186 -4.591 1.00 65.12 N ATOM 410 CA LEU A 27 -4.636 -4.015 -4.235 1.00 34.23 C ATOM 411 C LEU A 27 -4.226 -2.753 -5.037 1.00 65.21 C ATOM 412 O LEU A 27 -5.091 -2.022 -5.539 1.00 41.42 O ATOM 413 CB LEU A 27 -4.476 -3.803 -2.701 1.00 12.01 C ATOM 414 CG LEU A 27 -5.105 -2.535 -2.090 1.00 62.00 C ATOM 415 CD1 LEU A 27 -6.595 -2.454 -2.430 1.00 53.11 C ATOM 416 CD2 LEU A 27 -4.845 -2.467 -0.561 1.00 63.41 C ATOM 0 H LEU A 27 -3.189 -5.461 -3.848 1.00 65.12 H new ATOM 0 HA LEU A 27 -5.681 -4.187 -4.492 1.00 34.23 H new ATOM 0 HB2 LEU A 27 -4.904 -4.668 -2.195 1.00 12.01 H new ATOM 0 HB3 LEU A 27 -3.410 -3.794 -2.472 1.00 12.01 H new ATOM 0 HG LEU A 27 -4.626 -1.661 -2.531 1.00 62.00 H new ATOM 0 HD11 LEU A 27 -7.020 -1.552 -1.990 1.00 53.11 H new ATOM 0 HD12 LEU A 27 -6.720 -2.423 -3.512 1.00 53.11 H new ATOM 0 HD13 LEU A 27 -7.107 -3.329 -2.031 1.00 53.11 H new ATOM 0 HD21 LEU A 27 -5.299 -1.563 -0.155 1.00 63.41 H new ATOM 0 HD22 LEU A 27 -5.282 -3.341 -0.078 1.00 63.41 H new ATOM 0 HD23 LEU A 27 -3.771 -2.449 -0.375 1.00 63.41 H new ATOM 428 N VAL A 28 -2.906 -2.509 -5.137 1.00 72.40 N ATOM 429 CA VAL A 28 -2.340 -1.375 -5.910 1.00 50.45 C ATOM 430 C VAL A 28 -2.697 -1.493 -7.416 1.00 4.55 C ATOM 431 O VAL A 28 -2.959 -0.487 -8.098 1.00 22.12 O ATOM 432 CB VAL A 28 -0.773 -1.304 -5.727 1.00 22.23 C ATOM 433 CG1 VAL A 28 -0.143 -0.168 -6.555 1.00 63.32 C ATOM 434 CG2 VAL A 28 -0.380 -1.166 -4.237 1.00 12.23 C ATOM 0 H VAL A 28 -2.198 -3.089 -4.687 1.00 72.40 H new ATOM 0 HA VAL A 28 -2.781 -0.456 -5.524 1.00 50.45 H new ATOM 0 HB VAL A 28 -0.376 -2.248 -6.101 1.00 22.23 H new ATOM 0 HG11 VAL A 28 0.936 -0.158 -6.397 1.00 63.32 H new ATOM 0 HG12 VAL A 28 -0.354 -0.328 -7.612 1.00 63.32 H new ATOM 0 HG13 VAL A 28 -0.564 0.787 -6.242 1.00 63.32 H new ATOM 0 HG21 VAL A 28 0.706 -1.120 -4.150 1.00 12.23 H new ATOM 0 HG22 VAL A 28 -0.816 -0.254 -3.829 1.00 12.23 H new ATOM 0 HG23 VAL A 28 -0.753 -2.026 -3.681 1.00 12.23 H new ATOM 444 N SER A 29 -2.735 -2.745 -7.906 1.00 22.31 N ATOM 445 CA SER A 29 -2.995 -3.068 -9.322 1.00 2.34 C ATOM 446 C SER A 29 -4.509 -3.264 -9.600 1.00 64.35 C ATOM 447 O SER A 29 -4.903 -3.527 -10.747 1.00 13.45 O ATOM 448 CB SER A 29 -2.187 -4.339 -9.703 1.00 64.12 C ATOM 449 OG SER A 29 -2.216 -4.594 -11.102 1.00 32.42 O ATOM 0 H SER A 29 -2.585 -3.570 -7.325 1.00 22.31 H new ATOM 0 HA SER A 29 -2.672 -2.230 -9.940 1.00 2.34 H new ATOM 0 HB2 SER A 29 -1.153 -4.221 -9.378 1.00 64.12 H new ATOM 0 HB3 SER A 29 -2.593 -5.199 -9.170 1.00 64.12 H new ATOM 0 HG SER A 29 -3.101 -4.369 -11.457 1.00 32.42 H new ATOM 455 N ASP A 30 -5.356 -3.123 -8.561 1.00 2.21 N ATOM 456 CA ASP A 30 -6.822 -3.310 -8.682 1.00 11.14 C ATOM 457 C ASP A 30 -7.497 -2.003 -9.181 1.00 22.13 C ATOM 458 O ASP A 30 -7.274 -0.938 -8.590 1.00 32.45 O ATOM 459 CB ASP A 30 -7.426 -3.752 -7.326 1.00 25.14 C ATOM 460 CG ASP A 30 -8.912 -4.157 -7.420 1.00 31.31 C ATOM 461 OD1 ASP A 30 -9.210 -5.255 -7.957 1.00 43.24 O ATOM 462 OD2 ASP A 30 -9.783 -3.383 -6.979 1.00 13.40 O ATOM 0 H ASP A 30 -5.050 -2.878 -7.619 1.00 2.21 H new ATOM 0 HA ASP A 30 -7.011 -4.095 -9.414 1.00 11.14 H new ATOM 0 HB2 ASP A 30 -6.852 -4.593 -6.938 1.00 25.14 H new ATOM 0 HB3 ASP A 30 -7.324 -2.938 -6.608 1.00 25.14 H new ATOM 467 N PRO A 31 -8.324 -2.058 -10.281 1.00 12.14 N ATOM 468 CA PRO A 31 -9.001 -0.855 -10.841 1.00 5.40 C ATOM 469 C PRO A 31 -10.197 -0.371 -9.985 1.00 11.45 C ATOM 470 O PRO A 31 -10.613 0.783 -10.098 1.00 14.41 O ATOM 471 CB PRO A 31 -9.468 -1.342 -12.235 1.00 4.23 C ATOM 472 CG PRO A 31 -9.713 -2.806 -12.054 1.00 32.35 C ATOM 473 CD PRO A 31 -8.645 -3.282 -11.087 1.00 41.44 C ATOM 0 HA PRO A 31 -8.339 0.010 -10.872 1.00 5.40 H new ATOM 0 HB2 PRO A 31 -10.372 -0.824 -12.554 1.00 4.23 H new ATOM 0 HB3 PRO A 31 -8.709 -1.157 -12.995 1.00 4.23 H new ATOM 0 HG2 PRO A 31 -10.711 -2.990 -11.657 1.00 32.35 H new ATOM 0 HG3 PRO A 31 -9.645 -3.335 -13.004 1.00 32.35 H new ATOM 0 HD2 PRO A 31 -9.009 -4.093 -10.456 1.00 41.44 H new ATOM 0 HD3 PRO A 31 -7.767 -3.657 -11.613 1.00 41.44 H new ATOM 481 N ASP A 32 -10.746 -1.261 -9.144 1.00 5.54 N ATOM 482 CA ASP A 32 -11.937 -0.964 -8.316 1.00 30.12 C ATOM 483 C ASP A 32 -11.555 -0.188 -7.036 1.00 50.24 C ATOM 484 O ASP A 32 -12.388 0.535 -6.470 1.00 52.54 O ATOM 485 CB ASP A 32 -12.685 -2.288 -8.000 1.00 45.44 C ATOM 486 CG ASP A 32 -13.856 -2.151 -7.010 1.00 14.22 C ATOM 487 OD1 ASP A 32 -14.895 -1.555 -7.383 1.00 64.05 O ATOM 488 OD2 ASP A 32 -13.763 -2.665 -5.872 1.00 42.12 O ATOM 0 H ASP A 32 -10.382 -2.205 -9.015 1.00 5.54 H new ATOM 0 HA ASP A 32 -12.610 -0.314 -8.874 1.00 30.12 H new ATOM 0 HB2 ASP A 32 -13.064 -2.706 -8.933 1.00 45.44 H new ATOM 0 HB3 ASP A 32 -11.970 -3.005 -7.597 1.00 45.44 H new ATOM 493 N THR A 33 -10.289 -0.302 -6.608 1.00 25.31 N ATOM 494 CA THR A 33 -9.760 0.422 -5.432 1.00 62.51 C ATOM 495 C THR A 33 -8.722 1.490 -5.823 1.00 20.24 C ATOM 496 O THR A 33 -8.137 2.121 -4.934 1.00 43.45 O ATOM 497 CB THR A 33 -9.127 -0.577 -4.414 1.00 60.34 C ATOM 498 OG1 THR A 33 -8.206 -1.444 -5.091 1.00 53.31 O ATOM 499 CG2 THR A 33 -10.188 -1.423 -3.699 1.00 24.52 C ATOM 0 H THR A 33 -9.599 -0.898 -7.065 1.00 25.31 H new ATOM 0 HA THR A 33 -10.604 0.932 -4.968 1.00 62.51 H new ATOM 0 HB THR A 33 -8.606 0.013 -3.661 1.00 60.34 H new ATOM 0 HG1 THR A 33 -7.312 -1.042 -5.084 1.00 53.31 H new ATOM 0 HG21 THR A 33 -9.701 -2.103 -3.001 1.00 24.52 H new ATOM 0 HG22 THR A 33 -10.868 -0.769 -3.154 1.00 24.52 H new ATOM 0 HG23 THR A 33 -10.750 -1.999 -4.434 1.00 24.52 H new ATOM 507 N ASP A 34 -8.538 1.724 -7.145 1.00 34.52 N ATOM 508 CA ASP A 34 -7.485 2.637 -7.669 1.00 25.32 C ATOM 509 C ASP A 34 -7.653 4.082 -7.133 1.00 13.44 C ATOM 510 O ASP A 34 -6.668 4.805 -6.953 1.00 4.50 O ATOM 511 CB ASP A 34 -7.435 2.623 -9.232 1.00 1.10 C ATOM 512 CG ASP A 34 -8.393 3.623 -9.929 1.00 54.41 C ATOM 513 OD1 ASP A 34 -9.625 3.451 -9.834 1.00 14.55 O ATOM 514 OD2 ASP A 34 -7.912 4.578 -10.587 1.00 61.02 O ATOM 0 H ASP A 34 -9.107 1.292 -7.873 1.00 34.52 H new ATOM 0 HA ASP A 34 -6.531 2.260 -7.301 1.00 25.32 H new ATOM 0 HB2 ASP A 34 -6.415 2.839 -9.549 1.00 1.10 H new ATOM 0 HB3 ASP A 34 -7.670 1.617 -9.579 1.00 1.10 H new ATOM 519 N ALA A 35 -8.918 4.466 -6.853 1.00 31.52 N ATOM 520 CA ALA A 35 -9.282 5.820 -6.374 1.00 4.21 C ATOM 521 C ALA A 35 -8.645 6.145 -5.006 1.00 50.14 C ATOM 522 O ALA A 35 -8.371 7.310 -4.707 1.00 71.30 O ATOM 523 CB ALA A 35 -10.815 5.963 -6.312 1.00 72.32 C ATOM 0 H ALA A 35 -9.720 3.843 -6.953 1.00 31.52 H new ATOM 0 HA ALA A 35 -8.884 6.542 -7.087 1.00 4.21 H new ATOM 0 HB1 ALA A 35 -11.073 6.961 -5.959 1.00 72.32 H new ATOM 0 HB2 ALA A 35 -11.235 5.810 -7.306 1.00 72.32 H new ATOM 0 HB3 ALA A 35 -11.222 5.219 -5.627 1.00 72.32 H new ATOM 529 N LEU A 36 -8.400 5.103 -4.190 1.00 24.44 N ATOM 530 CA LEU A 36 -7.839 5.253 -2.828 1.00 23.34 C ATOM 531 C LEU A 36 -6.459 4.590 -2.706 1.00 75.12 C ATOM 532 O LEU A 36 -5.797 4.744 -1.680 1.00 65.11 O ATOM 533 CB LEU A 36 -8.826 4.684 -1.769 1.00 35.34 C ATOM 534 CG LEU A 36 -10.238 5.353 -1.726 1.00 11.00 C ATOM 535 CD1 LEU A 36 -11.139 4.700 -0.661 1.00 45.04 C ATOM 536 CD2 LEU A 36 -10.136 6.879 -1.511 1.00 72.25 C ATOM 0 H LEU A 36 -8.584 4.135 -4.452 1.00 24.44 H new ATOM 0 HA LEU A 36 -7.703 6.318 -2.639 1.00 23.34 H new ATOM 0 HB2 LEU A 36 -8.955 3.618 -1.956 1.00 35.34 H new ATOM 0 HB3 LEU A 36 -8.369 4.781 -0.784 1.00 35.34 H new ATOM 0 HG LEU A 36 -10.703 5.188 -2.698 1.00 11.00 H new ATOM 0 HD11 LEU A 36 -12.113 5.190 -0.658 1.00 45.04 H new ATOM 0 HD12 LEU A 36 -11.265 3.642 -0.890 1.00 45.04 H new ATOM 0 HD13 LEU A 36 -10.677 4.806 0.321 1.00 45.04 H new ATOM 0 HD21 LEU A 36 -11.137 7.311 -1.486 1.00 72.25 H new ATOM 0 HD22 LEU A 36 -9.631 7.080 -0.566 1.00 72.25 H new ATOM 0 HD23 LEU A 36 -9.569 7.324 -2.328 1.00 72.25 H new ATOM 548 N ILE A 37 -6.049 3.813 -3.729 1.00 33.23 N ATOM 549 CA ILE A 37 -4.684 3.267 -3.815 1.00 33.45 C ATOM 550 C ILE A 37 -4.351 2.851 -5.258 1.00 73.44 C ATOM 551 O ILE A 37 -4.999 1.976 -5.839 1.00 74.42 O ATOM 552 CB ILE A 37 -4.465 2.076 -2.814 1.00 23.32 C ATOM 553 CG1 ILE A 37 -2.999 1.530 -2.873 1.00 70.54 C ATOM 554 CG2 ILE A 37 -5.515 0.957 -3.017 1.00 71.34 C ATOM 555 CD1 ILE A 37 -2.656 0.510 -1.791 1.00 40.50 C ATOM 0 H ILE A 37 -6.650 3.550 -4.510 1.00 33.23 H new ATOM 0 HA ILE A 37 -3.996 4.060 -3.523 1.00 33.45 H new ATOM 0 HB ILE A 37 -4.613 2.468 -1.808 1.00 23.32 H new ATOM 0 HG12 ILE A 37 -2.834 1.074 -3.849 1.00 70.54 H new ATOM 0 HG13 ILE A 37 -2.309 2.370 -2.793 1.00 70.54 H new ATOM 0 HG21 ILE A 37 -5.330 0.151 -2.306 1.00 71.34 H new ATOM 0 HG22 ILE A 37 -6.514 1.362 -2.855 1.00 71.34 H new ATOM 0 HG23 ILE A 37 -5.441 0.569 -4.033 1.00 71.34 H new ATOM 0 HD11 ILE A 37 -1.622 0.188 -1.910 1.00 40.50 H new ATOM 0 HD12 ILE A 37 -2.784 0.965 -0.809 1.00 40.50 H new ATOM 0 HD13 ILE A 37 -3.317 -0.352 -1.881 1.00 40.50 H new ATOM 567 N CYS A 38 -3.325 3.486 -5.824 1.00 44.01 N ATOM 568 CA CYS A 38 -2.884 3.247 -7.202 1.00 70.51 C ATOM 569 C CYS A 38 -1.372 3.466 -7.300 1.00 32.34 C ATOM 570 O CYS A 38 -0.812 4.262 -6.539 1.00 5.20 O ATOM 571 CB CYS A 38 -3.649 4.196 -8.154 1.00 12.12 C ATOM 572 SG CYS A 38 -3.606 5.931 -7.647 1.00 72.00 S ATOM 0 H CYS A 38 -2.770 4.188 -5.335 1.00 44.01 H new ATOM 0 HA CYS A 38 -3.099 2.219 -7.493 1.00 70.51 H new ATOM 0 HB2 CYS A 38 -3.226 4.109 -9.155 1.00 12.12 H new ATOM 0 HB3 CYS A 38 -4.688 3.872 -8.218 1.00 12.12 H new ATOM 0 HG CYS A 38 -4.270 6.650 -8.503 1.00 72.00 H new ATOM 578 N TRP A 39 -0.727 2.765 -8.249 1.00 23.31 N ATOM 579 CA TRP A 39 0.731 2.875 -8.492 1.00 53.33 C ATOM 580 C TRP A 39 1.065 4.243 -9.108 1.00 73.33 C ATOM 581 O TRP A 39 0.218 4.860 -9.763 1.00 21.43 O ATOM 582 CB TRP A 39 1.257 1.702 -9.395 1.00 23.41 C ATOM 583 CG TRP A 39 0.314 1.268 -10.509 1.00 54.15 C ATOM 584 CD1 TRP A 39 -0.516 0.177 -10.496 1.00 0.51 C ATOM 585 CD2 TRP A 39 0.086 1.920 -11.772 1.00 40.24 C ATOM 586 NE1 TRP A 39 -1.229 0.114 -11.663 1.00 11.11 N ATOM 587 CE2 TRP A 39 -0.883 1.169 -12.461 1.00 50.40 C ATOM 588 CE3 TRP A 39 0.608 3.064 -12.386 1.00 10.13 C ATOM 589 CZ2 TRP A 39 -1.338 1.520 -13.726 1.00 24.22 C ATOM 590 CZ3 TRP A 39 0.155 3.419 -13.638 1.00 14.31 C ATOM 591 CH2 TRP A 39 -0.810 2.647 -14.299 1.00 31.51 C ATOM 0 H TRP A 39 -1.196 2.106 -8.870 1.00 23.31 H new ATOM 0 HA TRP A 39 1.241 2.793 -7.532 1.00 53.33 H new ATOM 0 HB2 TRP A 39 2.205 2.005 -9.840 1.00 23.41 H new ATOM 0 HB3 TRP A 39 1.464 0.841 -8.760 1.00 23.41 H new ATOM 0 HD1 TRP A 39 -0.596 -0.530 -9.683 1.00 0.51 H new ATOM 0 HE1 TRP A 39 -1.911 -0.607 -11.900 1.00 11.11 H new ATOM 0 HE3 TRP A 39 1.356 3.661 -11.885 1.00 10.13 H new ATOM 0 HZ2 TRP A 39 -2.080 0.926 -14.239 1.00 24.22 H new ATOM 0 HZ3 TRP A 39 0.549 4.304 -14.116 1.00 14.31 H new ATOM 0 HH2 TRP A 39 -1.145 2.947 -15.281 1.00 31.51 H new ATOM 602 N SER A 40 2.291 4.707 -8.861 1.00 4.32 N ATOM 603 CA SER A 40 2.845 5.923 -9.475 1.00 1.24 C ATOM 604 C SER A 40 3.154 5.669 -10.984 1.00 43.35 C ATOM 605 O SER A 40 3.367 4.514 -11.353 1.00 62.24 O ATOM 606 CB SER A 40 4.118 6.320 -8.690 1.00 74.13 C ATOM 607 OG SER A 40 3.828 6.543 -7.306 1.00 71.11 O ATOM 0 H SER A 40 2.938 4.246 -8.222 1.00 4.32 H new ATOM 0 HA SER A 40 2.126 6.741 -9.428 1.00 1.24 H new ATOM 0 HB2 SER A 40 4.866 5.533 -8.785 1.00 74.13 H new ATOM 0 HB3 SER A 40 4.548 7.223 -9.124 1.00 74.13 H new ATOM 0 HG SER A 40 4.600 6.279 -6.763 1.00 71.11 H new ATOM 613 N PRO A 41 3.165 6.734 -11.875 1.00 32.22 N ATOM 614 CA PRO A 41 3.349 6.597 -13.357 1.00 75.52 C ATOM 615 C PRO A 41 4.410 5.543 -13.794 1.00 45.24 C ATOM 616 O PRO A 41 4.133 4.714 -14.671 1.00 32.10 O ATOM 617 CB PRO A 41 3.742 8.039 -13.818 1.00 44.35 C ATOM 618 CG PRO A 41 3.710 8.915 -12.581 1.00 10.11 C ATOM 619 CD PRO A 41 2.935 8.161 -11.526 1.00 53.33 C ATOM 0 HA PRO A 41 2.439 6.218 -13.821 1.00 75.52 H new ATOM 0 HB2 PRO A 41 4.734 8.044 -14.270 1.00 44.35 H new ATOM 0 HB3 PRO A 41 3.046 8.408 -14.572 1.00 44.35 H new ATOM 0 HG2 PRO A 41 4.721 9.132 -12.236 1.00 10.11 H new ATOM 0 HG3 PRO A 41 3.235 9.872 -12.798 1.00 10.11 H new ATOM 0 HD2 PRO A 41 3.295 8.391 -10.523 1.00 53.33 H new ATOM 0 HD3 PRO A 41 1.875 8.414 -11.550 1.00 53.33 H new ATOM 627 N SER A 42 5.601 5.564 -13.156 1.00 14.35 N ATOM 628 CA SER A 42 6.677 4.577 -13.432 1.00 34.02 C ATOM 629 C SER A 42 6.395 3.253 -12.687 1.00 70.35 C ATOM 630 O SER A 42 6.595 2.161 -13.233 1.00 72.54 O ATOM 631 CB SER A 42 8.063 5.148 -13.038 1.00 10.04 C ATOM 632 OG SER A 42 9.122 4.267 -13.393 1.00 71.23 O ATOM 0 H SER A 42 5.845 6.253 -12.445 1.00 14.35 H new ATOM 0 HA SER A 42 6.691 4.373 -14.503 1.00 34.02 H new ATOM 0 HB2 SER A 42 8.212 6.110 -13.528 1.00 10.04 H new ATOM 0 HB3 SER A 42 8.088 5.331 -11.964 1.00 10.04 H new ATOM 0 HG SER A 42 9.455 3.816 -12.590 1.00 71.23 H new ATOM 638 N GLY A 43 5.932 3.370 -11.430 1.00 32.44 N ATOM 639 CA GLY A 43 5.536 2.216 -10.614 1.00 13.42 C ATOM 640 C GLY A 43 6.613 1.777 -9.636 1.00 71.23 C ATOM 641 O GLY A 43 6.693 0.607 -9.275 1.00 60.22 O ATOM 0 H GLY A 43 5.823 4.266 -10.955 1.00 32.44 H new ATOM 0 HA2 GLY A 43 4.631 2.464 -10.060 1.00 13.42 H new ATOM 0 HA3 GLY A 43 5.289 1.382 -11.271 1.00 13.42 H new ATOM 645 N ASN A 44 7.451 2.730 -9.211 1.00 45.22 N ATOM 646 CA ASN A 44 8.476 2.512 -8.168 1.00 62.14 C ATOM 647 C ASN A 44 7.860 2.633 -6.764 1.00 72.32 C ATOM 648 O ASN A 44 8.508 2.303 -5.761 1.00 12.21 O ATOM 649 CB ASN A 44 9.641 3.529 -8.319 1.00 73.31 C ATOM 650 CG ASN A 44 10.392 3.453 -9.659 1.00 13.25 C ATOM 651 OD1 ASN A 44 9.819 3.124 -10.699 1.00 43.44 O ATOM 652 ND2 ASN A 44 11.681 3.767 -9.642 1.00 70.42 N ATOM 0 H ASN A 44 7.442 3.681 -9.579 1.00 45.22 H new ATOM 0 HA ASN A 44 8.870 1.504 -8.294 1.00 62.14 H new ATOM 0 HB2 ASN A 44 9.243 4.537 -8.198 1.00 73.31 H new ATOM 0 HB3 ASN A 44 10.353 3.368 -7.510 1.00 73.31 H new ATOM 0 HD21 ASN A 44 12.224 3.740 -10.505 1.00 70.42 H new ATOM 0 HD22 ASN A 44 12.129 4.036 -8.766 1.00 70.42 H new ATOM 659 N SER A 45 6.607 3.122 -6.707 1.00 32.02 N ATOM 660 CA SER A 45 5.878 3.351 -5.455 1.00 34.10 C ATOM 661 C SER A 45 4.360 3.319 -5.712 1.00 74.31 C ATOM 662 O SER A 45 3.917 3.058 -6.842 1.00 72.44 O ATOM 663 CB SER A 45 6.305 4.710 -4.860 1.00 4.24 C ATOM 664 OG SER A 45 6.082 5.772 -5.765 1.00 43.10 O ATOM 0 H SER A 45 6.071 3.370 -7.539 1.00 32.02 H new ATOM 0 HA SER A 45 6.116 2.561 -4.742 1.00 34.10 H new ATOM 0 HB2 SER A 45 5.751 4.894 -3.940 1.00 4.24 H new ATOM 0 HB3 SER A 45 7.361 4.675 -4.594 1.00 4.24 H new ATOM 0 HG SER A 45 6.633 6.541 -5.509 1.00 43.10 H new ATOM 670 N PHE A 46 3.570 3.583 -4.653 1.00 61.00 N ATOM 671 CA PHE A 46 2.103 3.692 -4.743 1.00 0.41 C ATOM 672 C PHE A 46 1.598 4.811 -3.824 1.00 32.41 C ATOM 673 O PHE A 46 2.153 5.025 -2.744 1.00 61.31 O ATOM 674 CB PHE A 46 1.425 2.337 -4.385 1.00 23.34 C ATOM 675 CG PHE A 46 1.674 1.817 -2.956 1.00 34.23 C ATOM 676 CD1 PHE A 46 2.860 1.159 -2.627 1.00 3.04 C ATOM 677 CD2 PHE A 46 0.718 1.974 -1.949 1.00 64.14 C ATOM 678 CE1 PHE A 46 3.082 0.679 -1.348 1.00 12.50 C ATOM 679 CE2 PHE A 46 0.942 1.492 -0.669 1.00 72.11 C ATOM 680 CZ PHE A 46 2.123 0.845 -0.370 1.00 60.42 C ATOM 0 H PHE A 46 3.933 3.727 -3.711 1.00 61.00 H new ATOM 0 HA PHE A 46 1.837 3.940 -5.771 1.00 0.41 H new ATOM 0 HB2 PHE A 46 0.350 2.441 -4.531 1.00 23.34 H new ATOM 0 HB3 PHE A 46 1.771 1.582 -5.091 1.00 23.34 H new ATOM 0 HD1 PHE A 46 3.618 1.022 -3.384 1.00 3.04 H new ATOM 0 HD2 PHE A 46 -0.210 2.479 -2.172 1.00 64.14 H new ATOM 0 HE1 PHE A 46 4.008 0.174 -1.115 1.00 12.50 H new ATOM 0 HE2 PHE A 46 0.191 1.623 0.096 1.00 72.11 H new ATOM 0 HZ PHE A 46 2.297 0.469 0.628 1.00 60.42 H new ATOM 690 N HIS A 47 0.528 5.498 -4.258 1.00 22.34 N ATOM 691 CA HIS A 47 -0.141 6.555 -3.485 1.00 63.11 C ATOM 692 C HIS A 47 -1.363 5.954 -2.778 1.00 35.11 C ATOM 693 O HIS A 47 -1.994 5.027 -3.299 1.00 51.52 O ATOM 694 CB HIS A 47 -0.598 7.717 -4.410 1.00 31.22 C ATOM 695 CG HIS A 47 0.520 8.508 -5.038 1.00 10.01 C ATOM 696 ND1 HIS A 47 0.856 9.783 -4.631 1.00 53.02 N ATOM 697 CD2 HIS A 47 1.336 8.230 -6.080 1.00 43.11 C ATOM 698 CE1 HIS A 47 1.816 10.247 -5.389 1.00 24.01 C ATOM 699 NE2 HIS A 47 2.137 9.328 -6.275 1.00 32.21 N ATOM 0 H HIS A 47 0.099 5.332 -5.168 1.00 22.34 H new ATOM 0 HA HIS A 47 0.562 6.956 -2.755 1.00 63.11 H new ATOM 0 HB2 HIS A 47 -1.222 7.306 -5.203 1.00 31.22 H new ATOM 0 HB3 HIS A 47 -1.224 8.397 -3.832 1.00 31.22 H new ATOM 0 HD1 HIS A 47 0.422 10.287 -3.857 1.00 53.02 H new ATOM 0 HD2 HIS A 47 1.354 7.314 -6.652 1.00 43.11 H new ATOM 0 HE1 HIS A 47 2.270 11.223 -5.302 1.00 24.01 H new ATOM 708 N VAL A 48 -1.677 6.490 -1.593 1.00 61.31 N ATOM 709 CA VAL A 48 -2.855 6.121 -0.793 1.00 43.12 C ATOM 710 C VAL A 48 -3.649 7.398 -0.498 1.00 10.11 C ATOM 711 O VAL A 48 -3.107 8.347 0.074 1.00 11.32 O ATOM 712 CB VAL A 48 -2.457 5.407 0.560 1.00 72.43 C ATOM 713 CG1 VAL A 48 -3.698 5.121 1.428 1.00 33.34 C ATOM 714 CG2 VAL A 48 -1.645 4.115 0.300 1.00 54.21 C ATOM 0 H VAL A 48 -1.106 7.210 -1.151 1.00 61.31 H new ATOM 0 HA VAL A 48 -3.456 5.410 -1.360 1.00 43.12 H new ATOM 0 HB VAL A 48 -1.816 6.092 1.115 1.00 72.43 H new ATOM 0 HG11 VAL A 48 -3.391 4.630 2.351 1.00 33.34 H new ATOM 0 HG12 VAL A 48 -4.200 6.059 1.666 1.00 33.34 H new ATOM 0 HG13 VAL A 48 -4.382 4.472 0.882 1.00 33.34 H new ATOM 0 HG21 VAL A 48 -1.388 3.649 1.251 1.00 54.21 H new ATOM 0 HG22 VAL A 48 -2.243 3.423 -0.293 1.00 54.21 H new ATOM 0 HG23 VAL A 48 -0.732 4.362 -0.242 1.00 54.21 H new ATOM 724 N PHE A 49 -4.927 7.410 -0.891 1.00 32.32 N ATOM 725 CA PHE A 49 -5.814 8.572 -0.743 1.00 3.11 C ATOM 726 C PHE A 49 -6.884 8.307 0.306 1.00 33.01 C ATOM 727 O PHE A 49 -7.349 7.167 0.452 1.00 21.02 O ATOM 728 CB PHE A 49 -6.478 8.929 -2.095 1.00 54.13 C ATOM 729 CG PHE A 49 -5.493 9.426 -3.139 1.00 2.24 C ATOM 730 CD1 PHE A 49 -5.144 10.772 -3.192 1.00 23.30 C ATOM 731 CD2 PHE A 49 -4.911 8.549 -4.058 1.00 24.20 C ATOM 732 CE1 PHE A 49 -4.247 11.231 -4.126 1.00 43.41 C ATOM 733 CE2 PHE A 49 -4.008 9.010 -4.994 1.00 32.01 C ATOM 734 CZ PHE A 49 -3.677 10.352 -5.029 1.00 15.44 C ATOM 0 H PHE A 49 -5.381 6.606 -1.325 1.00 32.32 H new ATOM 0 HA PHE A 49 -5.207 9.416 -0.416 1.00 3.11 H new ATOM 0 HB2 PHE A 49 -6.993 8.050 -2.482 1.00 54.13 H new ATOM 0 HB3 PHE A 49 -7.236 9.694 -1.928 1.00 54.13 H new ATOM 0 HD1 PHE A 49 -5.584 11.465 -2.490 1.00 23.30 H new ATOM 0 HD2 PHE A 49 -5.170 7.501 -4.036 1.00 24.20 H new ATOM 0 HE1 PHE A 49 -3.987 12.279 -4.155 1.00 43.41 H new ATOM 0 HE2 PHE A 49 -3.561 8.324 -5.698 1.00 32.01 H new ATOM 0 HZ PHE A 49 -2.972 10.714 -5.763 1.00 15.44 H new ATOM 744 N ASP A 50 -7.272 9.393 1.002 1.00 24.13 N ATOM 745 CA ASP A 50 -8.364 9.408 1.980 1.00 1.25 C ATOM 746 C ASP A 50 -8.225 8.271 3.011 1.00 32.11 C ATOM 747 O ASP A 50 -9.008 7.338 3.007 1.00 52.53 O ATOM 748 CB ASP A 50 -9.745 9.392 1.264 1.00 61.53 C ATOM 749 CG ASP A 50 -9.955 10.623 0.362 1.00 71.23 C ATOM 750 OD1 ASP A 50 -9.489 10.623 -0.802 1.00 15.33 O ATOM 751 OD2 ASP A 50 -10.571 11.611 0.828 1.00 21.54 O ATOM 0 H ASP A 50 -6.822 10.302 0.894 1.00 24.13 H new ATOM 0 HA ASP A 50 -8.299 10.339 2.543 1.00 1.25 H new ATOM 0 HB2 ASP A 50 -9.829 8.486 0.663 1.00 61.53 H new ATOM 0 HB3 ASP A 50 -10.538 9.353 2.011 1.00 61.53 H new ATOM 756 N GLN A 51 -7.193 8.377 3.867 1.00 63.31 N ATOM 757 CA GLN A 51 -6.797 7.332 4.853 1.00 75.22 C ATOM 758 C GLN A 51 -7.978 6.768 5.684 1.00 22.00 C ATOM 759 O GLN A 51 -7.979 5.590 6.026 1.00 44.14 O ATOM 760 CB GLN A 51 -5.704 7.890 5.797 1.00 53.25 C ATOM 761 CG GLN A 51 -4.366 8.224 5.100 1.00 43.54 C ATOM 762 CD GLN A 51 -3.340 8.880 6.029 1.00 35.32 C ATOM 763 OE1 GLN A 51 -2.065 8.667 5.752 1.00 21.32 O flip ATOM 764 NE2 GLN A 51 -3.692 9.582 6.980 1.00 35.41 N flip ATOM 0 H GLN A 51 -6.595 9.202 3.901 1.00 63.31 H new ATOM 0 HA GLN A 51 -6.411 6.494 4.272 1.00 75.22 H new ATOM 0 HB2 GLN A 51 -6.083 8.791 6.279 1.00 53.25 H new ATOM 0 HB3 GLN A 51 -5.516 7.162 6.586 1.00 53.25 H new ATOM 0 HG2 GLN A 51 -3.940 7.308 4.691 1.00 43.54 H new ATOM 0 HG3 GLN A 51 -4.560 8.889 4.259 1.00 43.54 H new ATOM 0 HE21 GLN A 51 -4.684 9.727 7.167 1.00 35.41 H new ATOM 0 HE22 GLN A 51 -2.991 10.018 7.579 1.00 35.41 H new ATOM 773 N GLY A 52 -8.976 7.620 5.966 1.00 13.12 N ATOM 774 CA GLY A 52 -10.189 7.206 6.677 1.00 65.31 C ATOM 775 C GLY A 52 -11.102 6.322 5.823 1.00 62.21 C ATOM 776 O GLY A 52 -11.581 5.283 6.289 1.00 11.11 O ATOM 0 H GLY A 52 -8.963 8.607 5.709 1.00 13.12 H new ATOM 0 HA2 GLY A 52 -9.909 6.665 7.581 1.00 65.31 H new ATOM 0 HA3 GLY A 52 -10.740 8.092 6.993 1.00 65.31 H new ATOM 780 N GLN A 53 -11.307 6.729 4.551 1.00 72.01 N ATOM 781 CA GLN A 53 -12.214 6.037 3.606 1.00 72.22 C ATOM 782 C GLN A 53 -11.573 4.719 3.121 1.00 42.32 C ATOM 783 O GLN A 53 -12.236 3.682 3.052 1.00 44.33 O ATOM 784 CB GLN A 53 -12.539 6.971 2.406 1.00 32.30 C ATOM 785 CG GLN A 53 -13.610 6.441 1.422 1.00 34.53 C ATOM 786 CD GLN A 53 -14.983 6.209 2.059 1.00 33.01 C ATOM 787 OE1 GLN A 53 -15.374 6.883 3.012 1.00 53.30 O ATOM 788 NE2 GLN A 53 -15.732 5.253 1.541 1.00 51.54 N ATOM 0 H GLN A 53 -10.849 7.547 4.149 1.00 72.01 H new ATOM 0 HA GLN A 53 -13.146 5.793 4.116 1.00 72.22 H new ATOM 0 HB2 GLN A 53 -12.873 7.933 2.796 1.00 32.30 H new ATOM 0 HB3 GLN A 53 -11.619 7.154 1.851 1.00 32.30 H new ATOM 0 HG2 GLN A 53 -13.717 7.151 0.601 1.00 34.53 H new ATOM 0 HG3 GLN A 53 -13.259 5.504 0.989 1.00 34.53 H new ATOM 0 HE21 GLN A 53 -15.388 4.707 0.751 1.00 51.54 H new ATOM 0 HE22 GLN A 53 -16.655 5.061 1.931 1.00 51.54 H new ATOM 797 N PHE A 54 -10.279 4.805 2.771 1.00 74.22 N ATOM 798 CA PHE A 54 -9.388 3.660 2.493 1.00 71.25 C ATOM 799 C PHE A 54 -9.466 2.609 3.614 1.00 0.14 C ATOM 800 O PHE A 54 -9.668 1.421 3.356 1.00 33.25 O ATOM 801 CB PHE A 54 -7.931 4.198 2.332 1.00 61.52 C ATOM 802 CG PHE A 54 -6.841 3.148 2.114 1.00 11.34 C ATOM 803 CD1 PHE A 54 -6.510 2.711 0.834 1.00 44.34 C ATOM 804 CD2 PHE A 54 -6.137 2.606 3.192 1.00 53.05 C ATOM 805 CE1 PHE A 54 -5.518 1.771 0.644 1.00 35.35 C ATOM 806 CE2 PHE A 54 -5.148 1.667 2.993 1.00 71.22 C ATOM 807 CZ PHE A 54 -4.840 1.247 1.717 1.00 54.52 C ATOM 0 H PHE A 54 -9.806 5.703 2.670 1.00 74.22 H new ATOM 0 HA PHE A 54 -9.704 3.167 1.574 1.00 71.25 H new ATOM 0 HB2 PHE A 54 -7.913 4.890 1.490 1.00 61.52 H new ATOM 0 HB3 PHE A 54 -7.678 4.773 3.223 1.00 61.52 H new ATOM 0 HD1 PHE A 54 -7.036 3.112 -0.020 1.00 44.34 H new ATOM 0 HD2 PHE A 54 -6.371 2.928 4.196 1.00 53.05 H new ATOM 0 HE1 PHE A 54 -5.273 1.445 -0.356 1.00 35.35 H new ATOM 0 HE2 PHE A 54 -4.613 1.260 3.838 1.00 71.22 H new ATOM 0 HZ PHE A 54 -4.068 0.508 1.561 1.00 54.52 H new ATOM 817 N ALA A 55 -9.308 3.062 4.857 1.00 22.43 N ATOM 818 CA ALA A 55 -9.392 2.187 6.032 1.00 43.33 C ATOM 819 C ALA A 55 -10.789 1.541 6.170 1.00 53.34 C ATOM 820 O ALA A 55 -10.910 0.380 6.560 1.00 4.31 O ATOM 821 CB ALA A 55 -9.027 2.977 7.295 1.00 10.12 C ATOM 0 H ALA A 55 -9.119 4.039 5.080 1.00 22.43 H new ATOM 0 HA ALA A 55 -8.678 1.374 5.901 1.00 43.33 H new ATOM 0 HB1 ALA A 55 -9.091 2.323 8.165 1.00 10.12 H new ATOM 0 HB2 ALA A 55 -8.011 3.360 7.203 1.00 10.12 H new ATOM 0 HB3 ALA A 55 -9.720 3.810 7.416 1.00 10.12 H new ATOM 827 N LYS A 56 -11.821 2.307 5.799 1.00 54.01 N ATOM 828 CA LYS A 56 -13.235 1.917 5.936 1.00 14.21 C ATOM 829 C LYS A 56 -13.627 0.756 4.991 1.00 64.32 C ATOM 830 O LYS A 56 -14.280 -0.192 5.432 1.00 51.24 O ATOM 831 CB LYS A 56 -14.129 3.204 5.761 1.00 34.32 C ATOM 832 CG LYS A 56 -15.643 2.986 5.474 1.00 14.31 C ATOM 833 CD LYS A 56 -15.972 2.945 3.960 1.00 10.31 C ATOM 834 CE LYS A 56 -17.398 2.467 3.660 1.00 22.42 C ATOM 835 NZ LYS A 56 -17.627 2.319 2.196 1.00 33.32 N ATOM 0 H LYS A 56 -11.698 3.232 5.388 1.00 54.01 H new ATOM 0 HA LYS A 56 -13.406 1.512 6.933 1.00 14.21 H new ATOM 0 HB2 LYS A 56 -14.040 3.803 6.668 1.00 34.32 H new ATOM 0 HB3 LYS A 56 -13.713 3.796 4.946 1.00 34.32 H new ATOM 0 HG2 LYS A 56 -15.964 2.052 5.935 1.00 14.31 H new ATOM 0 HG3 LYS A 56 -16.215 3.786 5.943 1.00 14.31 H new ATOM 0 HD2 LYS A 56 -15.834 3.941 3.539 1.00 10.31 H new ATOM 0 HD3 LYS A 56 -15.263 2.286 3.459 1.00 10.31 H new ATOM 0 HE2 LYS A 56 -17.575 1.512 4.155 1.00 22.42 H new ATOM 0 HE3 LYS A 56 -18.115 3.177 4.072 1.00 22.42 H new ATOM 0 HZ1 LYS A 56 -18.435 2.908 1.910 1.00 33.32 H new ATOM 0 HZ2 LYS A 56 -16.777 2.623 1.679 1.00 33.32 H new ATOM 0 HZ3 LYS A 56 -17.829 1.323 1.975 1.00 33.32 H new ATOM 849 N GLU A 57 -13.244 0.833 3.700 1.00 42.32 N ATOM 850 CA GLU A 57 -13.718 -0.140 2.664 1.00 21.12 C ATOM 851 C GLU A 57 -12.602 -1.015 2.063 1.00 72.30 C ATOM 852 O GLU A 57 -12.829 -2.194 1.776 1.00 4.53 O ATOM 853 CB GLU A 57 -14.470 0.616 1.538 1.00 61.32 C ATOM 854 CG GLU A 57 -13.684 1.774 0.896 1.00 44.55 C ATOM 855 CD GLU A 57 -14.430 2.465 -0.251 1.00 44.33 C ATOM 856 OE1 GLU A 57 -15.632 2.788 -0.084 1.00 71.40 O ATOM 857 OE2 GLU A 57 -13.826 2.697 -1.318 1.00 23.34 O ATOM 0 H GLU A 57 -12.613 1.549 3.340 1.00 42.32 H new ATOM 0 HA GLU A 57 -14.390 -0.828 3.177 1.00 21.12 H new ATOM 0 HB2 GLU A 57 -14.739 -0.097 0.759 1.00 61.32 H new ATOM 0 HB3 GLU A 57 -15.401 1.010 1.945 1.00 61.32 H new ATOM 0 HG2 GLU A 57 -13.451 2.513 1.663 1.00 44.55 H new ATOM 0 HG3 GLU A 57 -12.734 1.393 0.522 1.00 44.55 H new ATOM 864 N VAL A 58 -11.408 -0.447 1.913 1.00 70.40 N ATOM 865 CA VAL A 58 -10.304 -1.071 1.156 1.00 24.44 C ATOM 866 C VAL A 58 -9.549 -2.100 2.026 1.00 43.32 C ATOM 867 O VAL A 58 -9.202 -3.200 1.553 1.00 20.33 O ATOM 868 CB VAL A 58 -9.327 0.036 0.632 1.00 45.04 C ATOM 869 CG1 VAL A 58 -8.107 -0.575 -0.065 1.00 65.22 C ATOM 870 CG2 VAL A 58 -10.070 1.025 -0.300 1.00 43.31 C ATOM 0 H VAL A 58 -11.169 0.461 2.311 1.00 70.40 H new ATOM 0 HA VAL A 58 -10.724 -1.604 0.303 1.00 24.44 H new ATOM 0 HB VAL A 58 -8.960 0.593 1.494 1.00 45.04 H new ATOM 0 HG11 VAL A 58 -7.451 0.222 -0.416 1.00 65.22 H new ATOM 0 HG12 VAL A 58 -7.565 -1.208 0.638 1.00 65.22 H new ATOM 0 HG13 VAL A 58 -8.435 -1.175 -0.914 1.00 65.22 H new ATOM 0 HG21 VAL A 58 -9.373 1.786 -0.653 1.00 43.31 H new ATOM 0 HG22 VAL A 58 -10.479 0.484 -1.153 1.00 43.31 H new ATOM 0 HG23 VAL A 58 -10.881 1.503 0.249 1.00 43.31 H new ATOM 880 N LEU A 59 -9.303 -1.734 3.298 1.00 3.31 N ATOM 881 CA LEU A 59 -8.614 -2.619 4.253 1.00 42.00 C ATOM 882 C LEU A 59 -9.449 -3.890 4.592 1.00 15.23 C ATOM 883 O LEU A 59 -8.895 -4.972 4.520 1.00 14.31 O ATOM 884 CB LEU A 59 -8.180 -1.864 5.538 1.00 42.14 C ATOM 885 CG LEU A 59 -7.033 -0.828 5.372 1.00 33.23 C ATOM 886 CD1 LEU A 59 -6.629 -0.253 6.737 1.00 24.31 C ATOM 887 CD2 LEU A 59 -5.814 -1.432 4.639 1.00 65.40 C ATOM 0 H LEU A 59 -9.572 -0.830 3.687 1.00 3.31 H new ATOM 0 HA LEU A 59 -7.706 -2.959 3.755 1.00 42.00 H new ATOM 0 HB2 LEU A 59 -9.051 -1.349 5.943 1.00 42.14 H new ATOM 0 HB3 LEU A 59 -7.872 -2.600 6.280 1.00 42.14 H new ATOM 0 HG LEU A 59 -7.407 -0.014 4.751 1.00 33.23 H new ATOM 0 HD11 LEU A 59 -5.825 0.471 6.603 1.00 24.31 H new ATOM 0 HD12 LEU A 59 -7.488 0.239 7.193 1.00 24.31 H new ATOM 0 HD13 LEU A 59 -6.287 -1.060 7.385 1.00 24.31 H new ATOM 0 HD21 LEU A 59 -5.035 -0.675 4.544 1.00 65.40 H new ATOM 0 HD22 LEU A 59 -5.430 -2.278 5.208 1.00 65.40 H new ATOM 0 HD23 LEU A 59 -6.116 -1.769 3.647 1.00 65.40 H new ATOM 899 N PRO A 60 -10.784 -3.815 4.950 1.00 24.15 N ATOM 900 CA PRO A 60 -11.609 -5.049 5.170 1.00 45.31 C ATOM 901 C PRO A 60 -11.853 -5.855 3.870 1.00 43.53 C ATOM 902 O PRO A 60 -12.307 -7.008 3.928 1.00 3.30 O ATOM 903 CB PRO A 60 -12.937 -4.497 5.748 1.00 30.51 C ATOM 904 CG PRO A 60 -13.016 -3.098 5.232 1.00 44.52 C ATOM 905 CD PRO A 60 -11.592 -2.591 5.217 1.00 22.11 C ATOM 0 HA PRO A 60 -11.109 -5.758 5.830 1.00 45.31 H new ATOM 0 HB2 PRO A 60 -13.790 -5.090 5.419 1.00 30.51 H new ATOM 0 HB3 PRO A 60 -12.935 -4.519 6.838 1.00 30.51 H new ATOM 0 HG2 PRO A 60 -13.452 -3.072 4.233 1.00 44.52 H new ATOM 0 HG3 PRO A 60 -13.646 -2.479 5.871 1.00 44.52 H new ATOM 0 HD2 PRO A 60 -11.444 -1.837 4.444 1.00 22.11 H new ATOM 0 HD3 PRO A 60 -11.321 -2.131 6.167 1.00 22.11 H new ATOM 913 N LYS A 61 -11.571 -5.233 2.712 1.00 3.33 N ATOM 914 CA LYS A 61 -11.673 -5.891 1.402 1.00 22.22 C ATOM 915 C LYS A 61 -10.519 -6.902 1.224 1.00 64.13 C ATOM 916 O LYS A 61 -10.767 -8.098 1.053 1.00 54.52 O ATOM 917 CB LYS A 61 -11.687 -4.822 0.274 1.00 10.11 C ATOM 918 CG LYS A 61 -11.860 -5.357 -1.162 1.00 54.01 C ATOM 919 CD LYS A 61 -12.044 -4.209 -2.188 1.00 52.12 C ATOM 920 CE LYS A 61 -11.912 -4.664 -3.653 1.00 74.20 C ATOM 921 NZ LYS A 61 -12.890 -5.716 -4.029 1.00 41.23 N ATOM 0 H LYS A 61 -11.266 -4.261 2.660 1.00 3.33 H new ATOM 0 HA LYS A 61 -12.608 -6.448 1.344 1.00 22.22 H new ATOM 0 HB2 LYS A 61 -12.494 -4.118 0.478 1.00 10.11 H new ATOM 0 HB3 LYS A 61 -10.754 -4.260 0.321 1.00 10.11 H new ATOM 0 HG2 LYS A 61 -10.989 -5.952 -1.435 1.00 54.01 H new ATOM 0 HG3 LYS A 61 -12.724 -6.021 -1.201 1.00 54.01 H new ATOM 0 HD2 LYS A 61 -13.026 -3.758 -2.044 1.00 52.12 H new ATOM 0 HD3 LYS A 61 -11.304 -3.433 -1.989 1.00 52.12 H new ATOM 0 HE2 LYS A 61 -12.045 -3.803 -4.308 1.00 74.20 H new ATOM 0 HE3 LYS A 61 -10.902 -5.039 -3.821 1.00 74.20 H new ATOM 0 HZ1 LYS A 61 -12.751 -5.980 -5.025 1.00 41.23 H new ATOM 0 HZ2 LYS A 61 -12.749 -6.552 -3.427 1.00 41.23 H new ATOM 0 HZ3 LYS A 61 -13.856 -5.354 -3.899 1.00 41.23 H new ATOM 935 N TYR A 62 -9.259 -6.425 1.296 1.00 73.50 N ATOM 936 CA TYR A 62 -8.062 -7.303 1.119 1.00 55.21 C ATOM 937 C TYR A 62 -7.580 -7.909 2.444 1.00 23.10 C ATOM 938 O TYR A 62 -7.334 -9.115 2.532 1.00 73.41 O ATOM 939 CB TYR A 62 -6.913 -6.544 0.404 1.00 24.20 C ATOM 940 CG TYR A 62 -7.158 -6.421 -1.101 1.00 74.24 C ATOM 941 CD1 TYR A 62 -8.097 -5.523 -1.601 1.00 74.41 C ATOM 942 CD2 TYR A 62 -6.487 -7.239 -2.011 1.00 40.01 C ATOM 943 CE1 TYR A 62 -8.348 -5.430 -2.950 1.00 72.20 C ATOM 944 CE2 TYR A 62 -6.742 -7.158 -3.361 1.00 21.13 C ATOM 945 CZ TYR A 62 -7.666 -6.254 -3.829 1.00 35.33 C ATOM 946 OH TYR A 62 -7.913 -6.184 -5.177 1.00 72.41 O ATOM 0 H TYR A 62 -9.035 -5.446 1.474 1.00 73.50 H new ATOM 0 HA TYR A 62 -8.371 -8.133 0.484 1.00 55.21 H new ATOM 0 HB2 TYR A 62 -6.811 -5.549 0.837 1.00 24.20 H new ATOM 0 HB3 TYR A 62 -5.971 -7.065 0.577 1.00 24.20 H new ATOM 0 HD1 TYR A 62 -8.639 -4.887 -0.916 1.00 74.41 H new ATOM 0 HD2 TYR A 62 -5.756 -7.947 -1.650 1.00 40.01 H new ATOM 0 HE1 TYR A 62 -9.072 -4.719 -3.321 1.00 72.20 H new ATOM 0 HE2 TYR A 62 -6.218 -7.803 -4.051 1.00 21.13 H new ATOM 0 HH TYR A 62 -7.347 -6.831 -5.647 1.00 72.41 H new ATOM 956 N PHE A 63 -7.451 -7.074 3.464 1.00 55.12 N ATOM 957 CA PHE A 63 -6.967 -7.496 4.795 1.00 25.42 C ATOM 958 C PHE A 63 -8.189 -7.831 5.677 1.00 45.24 C ATOM 959 O PHE A 63 -9.335 -7.774 5.203 1.00 34.11 O ATOM 960 CB PHE A 63 -6.074 -6.368 5.395 1.00 51.21 C ATOM 961 CG PHE A 63 -4.961 -5.919 4.440 1.00 24.33 C ATOM 962 CD1 PHE A 63 -3.781 -6.649 4.318 1.00 10.12 C ATOM 963 CD2 PHE A 63 -5.118 -4.791 3.629 1.00 13.24 C ATOM 964 CE1 PHE A 63 -2.796 -6.263 3.426 1.00 73.35 C ATOM 965 CE2 PHE A 63 -4.132 -4.411 2.730 1.00 15.11 C ATOM 966 CZ PHE A 63 -2.970 -5.149 2.632 1.00 64.45 C ATOM 0 H PHE A 63 -7.676 -6.081 3.405 1.00 55.12 H new ATOM 0 HA PHE A 63 -6.349 -8.392 4.732 1.00 25.42 H new ATOM 0 HB2 PHE A 63 -6.699 -5.511 5.646 1.00 51.21 H new ATOM 0 HB3 PHE A 63 -5.628 -6.720 6.325 1.00 51.21 H new ATOM 0 HD1 PHE A 63 -3.633 -7.528 4.928 1.00 10.12 H new ATOM 0 HD2 PHE A 63 -6.022 -4.205 3.704 1.00 13.24 H new ATOM 0 HE1 PHE A 63 -1.885 -6.838 3.351 1.00 73.35 H new ATOM 0 HE2 PHE A 63 -4.274 -3.539 2.108 1.00 15.11 H new ATOM 0 HZ PHE A 63 -2.199 -4.855 1.935 1.00 64.45 H new ATOM 976 N LYS A 64 -7.968 -8.197 6.947 1.00 62.14 N ATOM 977 CA LYS A 64 -9.060 -8.672 7.837 1.00 3.13 C ATOM 978 C LYS A 64 -9.231 -7.710 9.027 1.00 50.04 C ATOM 979 O LYS A 64 -9.435 -8.135 10.174 1.00 71.15 O ATOM 980 CB LYS A 64 -8.760 -10.129 8.298 1.00 21.21 C ATOM 981 CG LYS A 64 -8.523 -11.124 7.142 1.00 32.33 C ATOM 982 CD LYS A 64 -8.317 -12.578 7.624 1.00 44.11 C ATOM 983 CE LYS A 64 -7.961 -13.537 6.477 1.00 14.23 C ATOM 984 NZ LYS A 64 -8.987 -13.535 5.402 1.00 74.11 N ATOM 0 H LYS A 64 -7.049 -8.177 7.389 1.00 62.14 H new ATOM 0 HA LYS A 64 -10.004 -8.682 7.293 1.00 3.13 H new ATOM 0 HB2 LYS A 64 -7.880 -10.120 8.941 1.00 21.21 H new ATOM 0 HB3 LYS A 64 -9.593 -10.485 8.903 1.00 21.21 H new ATOM 0 HG2 LYS A 64 -9.374 -11.090 6.462 1.00 32.33 H new ATOM 0 HG3 LYS A 64 -7.648 -10.809 6.573 1.00 32.33 H new ATOM 0 HD2 LYS A 64 -7.523 -12.600 8.371 1.00 44.11 H new ATOM 0 HD3 LYS A 64 -9.226 -12.926 8.115 1.00 44.11 H new ATOM 0 HE2 LYS A 64 -6.996 -13.254 6.056 1.00 14.23 H new ATOM 0 HE3 LYS A 64 -7.853 -14.547 6.871 1.00 14.23 H new ATOM 0 HZ1 LYS A 64 -8.748 -14.257 4.692 1.00 74.11 H new ATOM 0 HZ2 LYS A 64 -9.919 -13.747 5.811 1.00 74.11 H new ATOM 0 HZ3 LYS A 64 -9.013 -12.599 4.949 1.00 74.11 H new ATOM 998 N HIS A 65 -9.200 -6.406 8.715 1.00 25.54 N ATOM 999 CA HIS A 65 -9.278 -5.308 9.704 1.00 11.41 C ATOM 1000 C HIS A 65 -9.581 -3.999 8.967 1.00 55.11 C ATOM 1001 O HIS A 65 -9.390 -3.916 7.753 1.00 43.15 O ATOM 1002 CB HIS A 65 -7.956 -5.174 10.524 1.00 64.40 C ATOM 1003 CG HIS A 65 -6.731 -4.843 9.698 1.00 63.15 C ATOM 1004 ND1 HIS A 65 -6.302 -3.553 9.448 1.00 61.53 N ATOM 1005 CD2 HIS A 65 -5.852 -5.649 9.058 1.00 73.41 C ATOM 1006 CE1 HIS A 65 -5.218 -3.589 8.696 1.00 42.02 C ATOM 1007 NE2 HIS A 65 -4.923 -4.846 8.445 1.00 71.24 N ATOM 0 H HIS A 65 -9.119 -6.074 7.754 1.00 25.54 H new ATOM 0 HA HIS A 65 -10.075 -5.533 10.413 1.00 11.41 H new ATOM 0 HB2 HIS A 65 -8.089 -4.399 11.278 1.00 64.40 H new ATOM 0 HB3 HIS A 65 -7.778 -6.109 11.056 1.00 64.40 H new ATOM 0 HD1 HIS A 65 -6.753 -2.705 9.791 1.00 61.53 H new ATOM 0 HD2 HIS A 65 -5.877 -6.728 9.034 1.00 73.41 H new ATOM 0 HE1 HIS A 65 -4.665 -2.730 8.345 1.00 42.02 H new ATOM 1016 N ASN A 66 -10.010 -2.972 9.713 1.00 45.22 N ATOM 1017 CA ASN A 66 -10.333 -1.637 9.144 1.00 41.12 C ATOM 1018 C ASN A 66 -9.399 -0.566 9.728 1.00 30.11 C ATOM 1019 O ASN A 66 -9.359 0.557 9.239 1.00 53.45 O ATOM 1020 CB ASN A 66 -11.818 -1.235 9.387 1.00 5.05 C ATOM 1021 CG ASN A 66 -12.860 -2.246 8.882 1.00 25.14 C ATOM 1022 OD1 ASN A 66 -12.696 -3.460 9.002 1.00 55.40 O ATOM 1023 ND2 ASN A 66 -13.937 -1.749 8.287 1.00 62.41 N ATOM 0 H ASN A 66 -10.145 -3.032 10.722 1.00 45.22 H new ATOM 0 HA ASN A 66 -10.183 -1.704 8.067 1.00 41.12 H new ATOM 0 HB2 ASN A 66 -11.967 -1.087 10.457 1.00 5.05 H new ATOM 0 HB3 ASN A 66 -12.002 -0.276 8.904 1.00 5.05 H new ATOM 0 HD21 ASN A 66 -14.651 -2.377 7.917 1.00 62.41 H new ATOM 0 HD22 ASN A 66 -14.051 -0.739 8.199 1.00 62.41 H new ATOM 1030 N ASN A 67 -8.668 -0.922 10.797 1.00 43.44 N ATOM 1031 CA ASN A 67 -7.695 -0.028 11.453 1.00 65.25 C ATOM 1032 C ASN A 67 -6.465 0.159 10.544 1.00 72.13 C ATOM 1033 O ASN A 67 -5.805 -0.824 10.183 1.00 51.51 O ATOM 1034 CB ASN A 67 -7.281 -0.619 12.825 1.00 30.35 C ATOM 1035 CG ASN A 67 -6.263 0.248 13.583 1.00 34.11 C ATOM 1036 OD1 ASN A 67 -5.056 0.075 13.434 1.00 41.32 O ATOM 1037 ND2 ASN A 67 -6.740 1.192 14.386 1.00 43.44 N ATOM 0 H ASN A 67 -8.734 -1.841 11.234 1.00 43.44 H new ATOM 0 HA ASN A 67 -8.152 0.947 11.621 1.00 65.25 H new ATOM 0 HB2 ASN A 67 -8.171 -0.744 13.442 1.00 30.35 H new ATOM 0 HB3 ASN A 67 -6.858 -1.612 12.672 1.00 30.35 H new ATOM 0 HD21 ASN A 67 -6.099 1.797 14.899 1.00 43.44 H new ATOM 0 HD22 ASN A 67 -7.748 1.312 14.490 1.00 43.44 H new ATOM 1044 N MET A 68 -6.160 1.417 10.184 1.00 24.24 N ATOM 1045 CA MET A 68 -5.062 1.735 9.243 1.00 22.11 C ATOM 1046 C MET A 68 -3.735 1.971 9.985 1.00 75.02 C ATOM 1047 O MET A 68 -2.669 1.893 9.380 1.00 74.13 O ATOM 1048 CB MET A 68 -5.412 2.948 8.340 1.00 20.43 C ATOM 1049 CG MET A 68 -4.461 3.138 7.167 1.00 53.23 C ATOM 1050 SD MET A 68 -4.819 4.620 6.225 1.00 0.42 S ATOM 1051 CE MET A 68 -3.526 4.516 5.007 1.00 2.43 C ATOM 0 H MET A 68 -6.659 2.237 10.530 1.00 24.24 H new ATOM 0 HA MET A 68 -4.936 0.867 8.596 1.00 22.11 H new ATOM 0 HB2 MET A 68 -6.425 2.823 7.957 1.00 20.43 H new ATOM 0 HB3 MET A 68 -5.410 3.853 8.947 1.00 20.43 H new ATOM 0 HG2 MET A 68 -3.437 3.186 7.538 1.00 53.23 H new ATOM 0 HG3 MET A 68 -4.522 2.270 6.510 1.00 53.23 H new ATOM 0 HE1 MET A 68 -3.727 5.223 4.202 1.00 2.43 H new ATOM 0 HE2 MET A 68 -2.569 4.757 5.471 1.00 2.43 H new ATOM 0 HE3 MET A 68 -3.489 3.505 4.602 1.00 2.43 H new ATOM 1061 N ALA A 69 -3.807 2.244 11.297 1.00 32.13 N ATOM 1062 CA ALA A 69 -2.609 2.362 12.160 1.00 13.03 C ATOM 1063 C ALA A 69 -1.764 1.067 12.103 1.00 55.11 C ATOM 1064 O ALA A 69 -0.534 1.117 12.073 1.00 24.31 O ATOM 1065 CB ALA A 69 -3.024 2.675 13.601 1.00 43.14 C ATOM 0 H ALA A 69 -4.687 2.389 11.792 1.00 32.13 H new ATOM 0 HA ALA A 69 -1.994 3.183 11.790 1.00 13.03 H new ATOM 0 HB1 ALA A 69 -2.135 2.759 14.226 1.00 43.14 H new ATOM 0 HB2 ALA A 69 -3.575 3.615 13.625 1.00 43.14 H new ATOM 0 HB3 ALA A 69 -3.658 1.873 13.979 1.00 43.14 H new ATOM 1071 N SER A 70 -2.478 -0.074 12.040 1.00 61.51 N ATOM 1072 CA SER A 70 -1.893 -1.414 11.867 1.00 0.22 C ATOM 1073 C SER A 70 -1.207 -1.541 10.489 1.00 43.22 C ATOM 1074 O SER A 70 -0.075 -2.020 10.394 1.00 21.21 O ATOM 1075 CB SER A 70 -3.006 -2.484 12.020 1.00 42.20 C ATOM 1076 OG SER A 70 -2.514 -3.789 11.775 1.00 13.30 O ATOM 0 H SER A 70 -3.496 -0.088 12.109 1.00 61.51 H new ATOM 0 HA SER A 70 -1.133 -1.571 12.633 1.00 0.22 H new ATOM 0 HB2 SER A 70 -3.422 -2.435 13.026 1.00 42.20 H new ATOM 0 HB3 SER A 70 -3.819 -2.265 11.328 1.00 42.20 H new ATOM 0 HG SER A 70 -3.241 -4.438 11.881 1.00 13.30 H new ATOM 1082 N PHE A 71 -1.899 -1.038 9.447 1.00 12.43 N ATOM 1083 CA PHE A 71 -1.473 -1.141 8.035 1.00 13.52 C ATOM 1084 C PHE A 71 -0.157 -0.365 7.795 1.00 33.33 C ATOM 1085 O PHE A 71 0.816 -0.919 7.276 1.00 32.12 O ATOM 1086 CB PHE A 71 -2.621 -0.607 7.119 1.00 45.11 C ATOM 1087 CG PHE A 71 -2.269 -0.442 5.636 1.00 52.30 C ATOM 1088 CD1 PHE A 71 -2.197 -1.545 4.790 1.00 3.13 C ATOM 1089 CD2 PHE A 71 -2.026 0.823 5.087 1.00 1.25 C ATOM 1090 CE1 PHE A 71 -1.888 -1.397 3.452 1.00 2.24 C ATOM 1091 CE2 PHE A 71 -1.714 0.969 3.747 1.00 44.44 C ATOM 1092 CZ PHE A 71 -1.646 -0.142 2.930 1.00 30.44 C ATOM 0 H PHE A 71 -2.782 -0.541 9.563 1.00 12.43 H new ATOM 0 HA PHE A 71 -1.277 -2.185 7.791 1.00 13.52 H new ATOM 0 HB2 PHE A 71 -3.469 -1.287 7.198 1.00 45.11 H new ATOM 0 HB3 PHE A 71 -2.949 0.358 7.505 1.00 45.11 H new ATOM 0 HD1 PHE A 71 -2.386 -2.532 5.186 1.00 3.13 H new ATOM 0 HD2 PHE A 71 -2.083 1.697 5.719 1.00 1.25 H new ATOM 0 HE1 PHE A 71 -1.836 -2.266 2.812 1.00 2.24 H new ATOM 0 HE2 PHE A 71 -1.524 1.951 3.340 1.00 44.44 H new ATOM 0 HZ PHE A 71 -1.404 -0.029 1.884 1.00 30.44 H new ATOM 1102 N VAL A 72 -0.155 0.922 8.191 1.00 20.42 N ATOM 1103 CA VAL A 72 1.016 1.811 8.074 1.00 71.00 C ATOM 1104 C VAL A 72 2.196 1.302 8.933 1.00 10.15 C ATOM 1105 O VAL A 72 3.334 1.305 8.464 1.00 63.44 O ATOM 1106 CB VAL A 72 0.638 3.292 8.463 1.00 75.12 C ATOM 1107 CG1 VAL A 72 1.855 4.245 8.357 1.00 65.44 C ATOM 1108 CG2 VAL A 72 -0.548 3.797 7.599 1.00 2.52 C ATOM 0 H VAL A 72 -0.970 1.376 8.603 1.00 20.42 H new ATOM 0 HA VAL A 72 1.335 1.803 7.032 1.00 71.00 H new ATOM 0 HB VAL A 72 0.326 3.290 9.507 1.00 75.12 H new ATOM 0 HG11 VAL A 72 1.552 5.255 8.633 1.00 65.44 H new ATOM 0 HG12 VAL A 72 2.642 3.906 9.030 1.00 65.44 H new ATOM 0 HG13 VAL A 72 2.228 4.246 7.333 1.00 65.44 H new ATOM 0 HG21 VAL A 72 -0.794 4.820 7.882 1.00 2.52 H new ATOM 0 HG22 VAL A 72 -0.269 3.769 6.546 1.00 2.52 H new ATOM 0 HG23 VAL A 72 -1.415 3.157 7.762 1.00 2.52 H new ATOM 1118 N ARG A 73 1.896 0.814 10.165 1.00 21.21 N ATOM 1119 CA ARG A 73 2.919 0.257 11.090 1.00 22.55 C ATOM 1120 C ARG A 73 3.682 -0.919 10.449 1.00 5.42 C ATOM 1121 O ARG A 73 4.907 -1.034 10.607 1.00 75.35 O ATOM 1122 CB ARG A 73 2.272 -0.202 12.422 1.00 73.23 C ATOM 1123 CG ARG A 73 3.262 -0.768 13.466 1.00 75.11 C ATOM 1124 CD ARG A 73 2.584 -1.101 14.805 1.00 2.05 C ATOM 1125 NE ARG A 73 1.999 0.092 15.450 1.00 65.43 N ATOM 1126 CZ ARG A 73 1.591 0.162 16.733 1.00 25.15 C ATOM 1127 NH1 ARG A 73 1.696 -0.890 17.552 1.00 72.32 N ATOM 1128 NH2 ARG A 73 1.069 1.291 17.196 1.00 14.10 N ATOM 0 H ARG A 73 0.949 0.795 10.542 1.00 21.21 H new ATOM 0 HA ARG A 73 3.631 1.056 11.298 1.00 22.55 H new ATOM 0 HB2 ARG A 73 1.745 0.644 12.864 1.00 73.23 H new ATOM 0 HB3 ARG A 73 1.524 -0.964 12.202 1.00 73.23 H new ATOM 0 HG2 ARG A 73 3.730 -1.668 13.067 1.00 75.11 H new ATOM 0 HG3 ARG A 73 4.058 -0.043 13.637 1.00 75.11 H new ATOM 0 HD2 ARG A 73 1.802 -1.842 14.639 1.00 2.05 H new ATOM 0 HD3 ARG A 73 3.314 -1.553 15.477 1.00 2.05 H new ATOM 0 HE ARG A 73 1.895 0.931 14.879 1.00 65.43 H new ATOM 0 HH11 ARG A 73 2.091 -1.766 17.209 1.00 72.32 H new ATOM 0 HH12 ARG A 73 1.381 -0.817 18.520 1.00 72.32 H new ATOM 0 HH21 ARG A 73 0.978 2.100 16.582 1.00 14.10 H new ATOM 0 HH22 ARG A 73 0.759 1.349 18.166 1.00 14.10 H new ATOM 1142 N GLN A 74 2.941 -1.755 9.691 1.00 15.43 N ATOM 1143 CA GLN A 74 3.524 -2.874 8.936 1.00 72.13 C ATOM 1144 C GLN A 74 4.534 -2.360 7.906 1.00 12.14 C ATOM 1145 O GLN A 74 5.669 -2.824 7.880 1.00 33.24 O ATOM 1146 CB GLN A 74 2.426 -3.702 8.221 1.00 21.12 C ATOM 1147 CG GLN A 74 1.511 -4.514 9.152 1.00 1.52 C ATOM 1148 CD GLN A 74 2.267 -5.521 10.018 1.00 74.41 C ATOM 1149 OE1 GLN A 74 3.313 -6.043 9.624 1.00 10.44 O ATOM 1150 NE2 GLN A 74 1.741 -5.819 11.192 1.00 52.53 N ATOM 0 H GLN A 74 1.930 -1.671 9.588 1.00 15.43 H new ATOM 0 HA GLN A 74 4.036 -3.520 9.649 1.00 72.13 H new ATOM 0 HB2 GLN A 74 1.809 -3.025 7.631 1.00 21.12 H new ATOM 0 HB3 GLN A 74 2.906 -4.386 7.522 1.00 21.12 H new ATOM 0 HG2 GLN A 74 0.963 -3.829 9.799 1.00 1.52 H new ATOM 0 HG3 GLN A 74 0.772 -5.045 8.551 1.00 1.52 H new ATOM 0 HE21 GLN A 74 0.875 -5.371 11.491 1.00 52.53 H new ATOM 0 HE22 GLN A 74 2.201 -6.497 11.800 1.00 52.53 H new ATOM 1159 N LEU A 75 4.112 -1.355 7.114 1.00 11.23 N ATOM 1160 CA LEU A 75 4.926 -0.764 6.033 1.00 75.34 C ATOM 1161 C LEU A 75 6.223 -0.135 6.578 1.00 3.44 C ATOM 1162 O LEU A 75 7.284 -0.294 5.979 1.00 22.34 O ATOM 1163 CB LEU A 75 4.085 0.292 5.267 1.00 40.33 C ATOM 1164 CG LEU A 75 2.838 -0.273 4.520 1.00 2.34 C ATOM 1165 CD1 LEU A 75 1.914 0.849 4.029 1.00 24.22 C ATOM 1166 CD2 LEU A 75 3.261 -1.189 3.356 1.00 61.13 C ATOM 0 H LEU A 75 3.191 -0.927 7.207 1.00 11.23 H new ATOM 0 HA LEU A 75 5.217 -1.560 5.348 1.00 75.34 H new ATOM 0 HB2 LEU A 75 3.753 1.052 5.974 1.00 40.33 H new ATOM 0 HB3 LEU A 75 4.729 0.791 4.542 1.00 40.33 H new ATOM 0 HG LEU A 75 2.273 -0.871 5.235 1.00 2.34 H new ATOM 0 HD11 LEU A 75 1.057 0.415 3.514 1.00 24.22 H new ATOM 0 HD12 LEU A 75 1.567 1.434 4.881 1.00 24.22 H new ATOM 0 HD13 LEU A 75 2.460 1.496 3.343 1.00 24.22 H new ATOM 0 HD21 LEU A 75 2.373 -1.570 2.852 1.00 61.13 H new ATOM 0 HD22 LEU A 75 3.865 -0.622 2.648 1.00 61.13 H new ATOM 0 HD23 LEU A 75 3.844 -2.024 3.744 1.00 61.13 H new ATOM 1178 N ASN A 76 6.113 0.544 7.733 1.00 54.22 N ATOM 1179 CA ASN A 76 7.264 1.137 8.459 1.00 23.42 C ATOM 1180 C ASN A 76 8.315 0.071 8.814 1.00 55.24 C ATOM 1181 O ASN A 76 9.525 0.289 8.648 1.00 63.14 O ATOM 1182 CB ASN A 76 6.784 1.855 9.748 1.00 4.11 C ATOM 1183 CG ASN A 76 5.763 2.954 9.473 1.00 65.11 C ATOM 1184 OD1 ASN A 76 4.824 3.137 10.385 1.00 74.23 O flip ATOM 1185 ND2 ASN A 76 5.804 3.617 8.433 1.00 43.25 N flip ATOM 0 H ASN A 76 5.219 0.701 8.198 1.00 54.22 H new ATOM 0 HA ASN A 76 7.729 1.866 7.796 1.00 23.42 H new ATOM 0 HB2 ASN A 76 6.346 1.121 10.425 1.00 4.11 H new ATOM 0 HB3 ASN A 76 7.645 2.286 10.259 1.00 4.11 H new ATOM 0 HD21 ASN A 76 6.543 3.450 7.750 1.00 43.25 H new ATOM 0 HD22 ASN A 76 5.099 4.333 8.256 1.00 43.25 H new ATOM 1192 N MET A 77 7.828 -1.093 9.270 1.00 30.23 N ATOM 1193 CA MET A 77 8.680 -2.249 9.604 1.00 71.41 C ATOM 1194 C MET A 77 9.194 -2.944 8.325 1.00 23.40 C ATOM 1195 O MET A 77 10.313 -3.457 8.305 1.00 73.22 O ATOM 1196 CB MET A 77 7.914 -3.249 10.506 1.00 21.20 C ATOM 1197 CG MET A 77 7.514 -2.694 11.878 1.00 33.01 C ATOM 1198 SD MET A 77 6.740 -3.936 12.946 1.00 12.44 S ATOM 1199 CE MET A 77 5.287 -4.399 11.999 1.00 21.15 C ATOM 0 H MET A 77 6.833 -1.261 9.418 1.00 30.23 H new ATOM 0 HA MET A 77 9.545 -1.884 10.157 1.00 71.41 H new ATOM 0 HB2 MET A 77 7.014 -3.573 9.984 1.00 21.20 H new ATOM 0 HB3 MET A 77 8.534 -4.134 10.653 1.00 21.20 H new ATOM 0 HG2 MET A 77 8.399 -2.296 12.375 1.00 33.01 H new ATOM 0 HG3 MET A 77 6.825 -1.861 11.740 1.00 33.01 H new ATOM 0 HE1 MET A 77 4.695 -5.117 12.568 1.00 21.15 H new ATOM 0 HE2 MET A 77 4.686 -3.512 11.798 1.00 21.15 H new ATOM 0 HE3 MET A 77 5.596 -4.850 11.056 1.00 21.15 H new ATOM 1209 N TYR A 78 8.386 -2.896 7.241 1.00 43.32 N ATOM 1210 CA TYR A 78 8.740 -3.477 5.922 1.00 51.02 C ATOM 1211 C TYR A 78 9.635 -2.501 5.110 1.00 1.14 C ATOM 1212 O TYR A 78 9.907 -2.730 3.924 1.00 11.12 O ATOM 1213 CB TYR A 78 7.461 -3.857 5.109 1.00 0.05 C ATOM 1214 CG TYR A 78 6.724 -5.142 5.548 1.00 13.44 C ATOM 1215 CD1 TYR A 78 7.363 -6.384 5.523 1.00 53.43 C ATOM 1216 CD2 TYR A 78 5.380 -5.124 5.934 1.00 43.42 C ATOM 1217 CE1 TYR A 78 6.693 -7.546 5.871 1.00 30.31 C ATOM 1218 CE2 TYR A 78 4.715 -6.278 6.290 1.00 33.43 C ATOM 1219 CZ TYR A 78 5.368 -7.484 6.254 1.00 62.25 C ATOM 1220 OH TYR A 78 4.691 -8.635 6.596 1.00 10.35 O ATOM 0 H TYR A 78 7.468 -2.453 7.255 1.00 43.32 H new ATOM 0 HA TYR A 78 9.306 -4.391 6.104 1.00 51.02 H new ATOM 0 HB2 TYR A 78 6.760 -3.024 5.167 1.00 0.05 H new ATOM 0 HB3 TYR A 78 7.742 -3.965 4.061 1.00 0.05 H new ATOM 0 HD1 TYR A 78 8.400 -6.440 5.226 1.00 53.43 H new ATOM 0 HD2 TYR A 78 4.850 -4.183 5.954 1.00 43.42 H new ATOM 0 HE1 TYR A 78 7.205 -8.496 5.843 1.00 30.31 H new ATOM 0 HE2 TYR A 78 3.681 -6.233 6.597 1.00 33.43 H new ATOM 0 HH TYR A 78 3.769 -8.412 6.841 1.00 10.35 H new ATOM 1230 N GLY A 79 10.060 -1.396 5.753 1.00 43.31 N ATOM 1231 CA GLY A 79 11.091 -0.510 5.204 1.00 33.20 C ATOM 1232 C GLY A 79 10.587 0.522 4.199 1.00 61.34 C ATOM 1233 O GLY A 79 11.403 1.180 3.541 1.00 13.34 O ATOM 0 H GLY A 79 9.699 -1.099 6.659 1.00 43.31 H new ATOM 0 HA2 GLY A 79 11.575 0.014 6.028 1.00 33.20 H new ATOM 0 HA3 GLY A 79 11.855 -1.121 4.723 1.00 33.20 H new ATOM 1237 N PHE A 80 9.257 0.671 4.072 1.00 25.31 N ATOM 1238 CA PHE A 80 8.637 1.630 3.137 1.00 72.35 C ATOM 1239 C PHE A 80 8.826 3.074 3.632 1.00 14.34 C ATOM 1240 O PHE A 80 8.667 3.356 4.823 1.00 12.45 O ATOM 1241 CB PHE A 80 7.123 1.327 2.941 1.00 64.24 C ATOM 1242 CG PHE A 80 6.827 0.080 2.105 1.00 54.22 C ATOM 1243 CD1 PHE A 80 6.981 -1.201 2.636 1.00 63.34 C ATOM 1244 CD2 PHE A 80 6.387 0.192 0.785 1.00 1.23 C ATOM 1245 CE1 PHE A 80 6.707 -2.325 1.878 1.00 2.03 C ATOM 1246 CE2 PHE A 80 6.114 -0.933 0.031 1.00 41.22 C ATOM 1247 CZ PHE A 80 6.273 -2.190 0.578 1.00 13.32 C ATOM 0 H PHE A 80 8.581 0.132 4.613 1.00 25.31 H new ATOM 0 HA PHE A 80 9.136 1.520 2.174 1.00 72.35 H new ATOM 0 HB2 PHE A 80 6.659 1.210 3.921 1.00 64.24 H new ATOM 0 HB3 PHE A 80 6.652 2.187 2.466 1.00 64.24 H new ATOM 0 HD1 PHE A 80 7.320 -1.317 3.655 1.00 63.34 H new ATOM 0 HD2 PHE A 80 6.258 1.171 0.347 1.00 1.23 H new ATOM 0 HE1 PHE A 80 6.833 -3.309 2.306 1.00 2.03 H new ATOM 0 HE2 PHE A 80 5.775 -0.828 -0.989 1.00 41.22 H new ATOM 0 HZ PHE A 80 6.057 -3.068 -0.013 1.00 13.32 H new ATOM 1257 N ARG A 81 9.138 3.984 2.695 1.00 71.34 N ATOM 1258 CA ARG A 81 9.401 5.394 2.994 1.00 44.12 C ATOM 1259 C ARG A 81 8.145 6.216 2.665 1.00 74.04 C ATOM 1260 O ARG A 81 7.654 6.183 1.528 1.00 11.14 O ATOM 1261 CB ARG A 81 10.623 5.900 2.168 1.00 63.12 C ATOM 1262 CG ARG A 81 11.054 7.356 2.463 1.00 10.31 C ATOM 1263 CD ARG A 81 12.204 7.828 1.551 1.00 43.55 C ATOM 1264 NE ARG A 81 13.370 6.920 1.588 1.00 23.42 N ATOM 1265 CZ ARG A 81 14.552 7.178 2.198 1.00 14.41 C ATOM 1266 NH1 ARG A 81 14.757 8.327 2.847 1.00 32.11 N ATOM 1267 NH2 ARG A 81 15.532 6.283 2.141 1.00 74.12 N ATOM 0 H ARG A 81 9.214 3.757 1.704 1.00 71.34 H new ATOM 0 HA ARG A 81 9.639 5.509 4.052 1.00 44.12 H new ATOM 0 HB2 ARG A 81 11.470 5.241 2.359 1.00 63.12 H new ATOM 0 HB3 ARG A 81 10.386 5.815 1.108 1.00 63.12 H new ATOM 0 HG2 ARG A 81 10.198 8.018 2.334 1.00 10.31 H new ATOM 0 HG3 ARG A 81 11.365 7.435 3.505 1.00 10.31 H new ATOM 0 HD2 ARG A 81 11.841 7.905 0.526 1.00 43.55 H new ATOM 0 HD3 ARG A 81 12.517 8.827 1.855 1.00 43.55 H new ATOM 0 HE ARG A 81 13.277 6.022 1.113 1.00 23.42 H new ATOM 0 HH11 ARG A 81 14.017 9.028 2.889 1.00 32.11 H new ATOM 0 HH12 ARG A 81 15.653 8.504 3.300 1.00 32.11 H new ATOM 0 HH21 ARG A 81 15.393 5.406 1.639 1.00 74.12 H new ATOM 0 HH22 ARG A 81 16.423 6.473 2.599 1.00 74.12 H new ATOM 1281 N LYS A 82 7.637 6.929 3.677 1.00 20.25 N ATOM 1282 CA LYS A 82 6.441 7.777 3.587 1.00 1.45 C ATOM 1283 C LYS A 82 6.824 9.112 2.911 1.00 52.43 C ATOM 1284 O LYS A 82 7.720 9.812 3.398 1.00 70.31 O ATOM 1285 CB LYS A 82 5.892 7.982 5.042 1.00 71.51 C ATOM 1286 CG LYS A 82 4.498 8.642 5.172 1.00 41.12 C ATOM 1287 CD LYS A 82 4.486 10.176 4.952 1.00 4.24 C ATOM 1288 CE LYS A 82 3.083 10.782 5.068 1.00 4.24 C ATOM 1289 NZ LYS A 82 2.520 10.632 6.433 1.00 1.42 N ATOM 0 H LYS A 82 8.057 6.933 4.606 1.00 20.25 H new ATOM 0 HA LYS A 82 5.659 7.318 2.982 1.00 1.45 H new ATOM 0 HB2 LYS A 82 5.855 7.009 5.532 1.00 71.51 H new ATOM 0 HB3 LYS A 82 6.609 8.590 5.594 1.00 71.51 H new ATOM 0 HG2 LYS A 82 3.823 8.180 4.451 1.00 41.12 H new ATOM 0 HG3 LYS A 82 4.100 8.428 6.164 1.00 41.12 H new ATOM 0 HD2 LYS A 82 5.142 10.648 5.683 1.00 4.24 H new ATOM 0 HD3 LYS A 82 4.893 10.400 3.966 1.00 4.24 H new ATOM 0 HE2 LYS A 82 3.123 11.840 4.807 1.00 4.24 H new ATOM 0 HE3 LYS A 82 2.420 10.301 4.348 1.00 4.24 H new ATOM 0 HZ1 LYS A 82 1.616 11.143 6.494 1.00 1.42 H new ATOM 0 HZ2 LYS A 82 2.362 9.624 6.634 1.00 1.42 H new ATOM 0 HZ3 LYS A 82 3.187 11.024 7.128 1.00 1.42 H new ATOM 1303 N VAL A 83 6.140 9.453 1.799 1.00 74.24 N ATOM 1304 CA VAL A 83 6.338 10.708 1.042 1.00 45.13 C ATOM 1305 C VAL A 83 4.944 11.314 0.744 1.00 51.30 C ATOM 1306 O VAL A 83 4.143 10.704 0.035 1.00 31.41 O ATOM 1307 CB VAL A 83 7.123 10.456 -0.313 1.00 3.54 C ATOM 1308 CG1 VAL A 83 7.303 11.764 -1.116 1.00 54.20 C ATOM 1309 CG2 VAL A 83 8.488 9.763 -0.064 1.00 14.53 C ATOM 0 H VAL A 83 5.421 8.853 1.394 1.00 74.24 H new ATOM 0 HA VAL A 83 6.939 11.395 1.638 1.00 45.13 H new ATOM 0 HB VAL A 83 6.515 9.779 -0.913 1.00 3.54 H new ATOM 0 HG11 VAL A 83 7.845 11.553 -2.038 1.00 54.20 H new ATOM 0 HG12 VAL A 83 6.325 12.181 -1.357 1.00 54.20 H new ATOM 0 HG13 VAL A 83 7.866 12.482 -0.520 1.00 54.20 H new ATOM 0 HG21 VAL A 83 8.996 9.607 -1.016 1.00 14.53 H new ATOM 0 HG22 VAL A 83 9.104 10.393 0.577 1.00 14.53 H new ATOM 0 HG23 VAL A 83 8.324 8.801 0.422 1.00 14.53 H new ATOM 1319 N VAL A 84 4.661 12.516 1.278 1.00 1.00 N ATOM 1320 CA VAL A 84 3.342 13.177 1.144 1.00 43.34 C ATOM 1321 C VAL A 84 3.440 14.290 0.078 1.00 31.12 C ATOM 1322 O VAL A 84 4.331 15.143 0.143 1.00 42.50 O ATOM 1323 CB VAL A 84 2.829 13.736 2.534 1.00 54.15 C ATOM 1324 CG1 VAL A 84 3.846 14.680 3.217 1.00 44.05 C ATOM 1325 CG2 VAL A 84 1.443 14.409 2.396 1.00 14.22 C ATOM 0 H VAL A 84 5.337 13.059 1.815 1.00 1.00 H new ATOM 0 HA VAL A 84 2.605 12.443 0.819 1.00 43.34 H new ATOM 0 HB VAL A 84 2.722 12.872 3.190 1.00 54.15 H new ATOM 0 HG11 VAL A 84 3.438 15.030 4.165 1.00 44.05 H new ATOM 0 HG12 VAL A 84 4.776 14.142 3.399 1.00 44.05 H new ATOM 0 HG13 VAL A 84 4.042 15.534 2.569 1.00 44.05 H new ATOM 0 HG21 VAL A 84 1.121 14.781 3.368 1.00 14.22 H new ATOM 0 HG22 VAL A 84 1.510 15.240 1.693 1.00 14.22 H new ATOM 0 HG23 VAL A 84 0.720 13.681 2.029 1.00 14.22 H new ATOM 1335 N HIS A 85 2.543 14.248 -0.928 1.00 71.10 N ATOM 1336 CA HIS A 85 2.576 15.177 -2.090 1.00 53.21 C ATOM 1337 C HIS A 85 1.546 16.301 -1.913 1.00 20.31 C ATOM 1338 O HIS A 85 1.795 17.453 -2.301 1.00 41.41 O ATOM 1339 CB HIS A 85 2.344 14.401 -3.410 1.00 3.12 C ATOM 1340 CG HIS A 85 3.422 13.390 -3.703 1.00 3.52 C ATOM 1341 ND1 HIS A 85 4.334 13.534 -4.726 1.00 71.11 N ATOM 1342 CD2 HIS A 85 3.748 12.226 -3.085 1.00 53.24 C ATOM 1343 CE1 HIS A 85 5.167 12.514 -4.718 1.00 74.03 C ATOM 1344 NE2 HIS A 85 4.836 11.709 -3.731 1.00 4.23 N ATOM 0 H HIS A 85 1.777 13.575 -0.964 1.00 71.10 H new ATOM 0 HA HIS A 85 3.563 15.637 -2.141 1.00 53.21 H new ATOM 0 HB2 HIS A 85 1.382 13.892 -3.360 1.00 3.12 H new ATOM 0 HB3 HIS A 85 2.287 15.111 -4.235 1.00 3.12 H new ATOM 0 HD1 HIS A 85 4.360 14.310 -5.387 1.00 71.11 H new ATOM 0 HD2 HIS A 85 3.241 11.789 -2.238 1.00 53.24 H new ATOM 0 HE1 HIS A 85 5.985 12.363 -5.407 1.00 74.03 H new ATOM 1353 N ILE A 86 0.378 15.951 -1.340 1.00 33.53 N ATOM 1354 CA ILE A 86 -0.590 16.941 -0.840 1.00 70.40 C ATOM 1355 C ILE A 86 -0.026 17.510 0.477 1.00 30.25 C ATOM 1356 O ILE A 86 -0.266 16.965 1.560 1.00 73.12 O ATOM 1357 CB ILE A 86 -2.033 16.313 -0.643 1.00 63.11 C ATOM 1358 CG1 ILE A 86 -2.618 15.812 -2.008 1.00 4.40 C ATOM 1359 CG2 ILE A 86 -3.015 17.291 0.055 1.00 32.15 C ATOM 1360 CD1 ILE A 86 -2.783 16.882 -3.075 1.00 5.34 C ATOM 0 H ILE A 86 0.083 14.983 -1.212 1.00 33.53 H new ATOM 0 HA ILE A 86 -0.720 17.740 -1.570 1.00 70.40 H new ATOM 0 HB ILE A 86 -1.916 15.455 0.019 1.00 63.11 H new ATOM 0 HG12 ILE A 86 -1.967 15.030 -2.399 1.00 4.40 H new ATOM 0 HG13 ILE A 86 -3.590 15.354 -1.822 1.00 4.40 H new ATOM 0 HG21 ILE A 86 -3.988 16.812 0.166 1.00 32.15 H new ATOM 0 HG22 ILE A 86 -2.627 17.556 1.039 1.00 32.15 H new ATOM 0 HG23 ILE A 86 -3.121 18.193 -0.548 1.00 32.15 H new ATOM 0 HD11 ILE A 86 -3.194 16.434 -3.980 1.00 5.34 H new ATOM 0 HD12 ILE A 86 -3.461 17.655 -2.713 1.00 5.34 H new ATOM 0 HD13 ILE A 86 -1.813 17.326 -3.299 1.00 5.34 H new ATOM 1372 N GLU A 87 0.809 18.556 0.334 1.00 35.44 N ATOM 1373 CA GLU A 87 1.550 19.177 1.448 1.00 42.53 C ATOM 1374 C GLU A 87 0.577 19.757 2.491 1.00 72.32 C ATOM 1375 O GLU A 87 -0.015 20.830 2.290 1.00 72.01 O ATOM 1376 CB GLU A 87 2.510 20.262 0.897 1.00 15.42 C ATOM 1377 CG GLU A 87 3.514 19.737 -0.153 1.00 3.23 C ATOM 1378 CD GLU A 87 4.301 20.853 -0.856 1.00 61.14 C ATOM 1379 OE1 GLU A 87 5.328 21.312 -0.311 1.00 43.10 O ATOM 1380 OE2 GLU A 87 3.897 21.277 -1.965 1.00 74.34 O ATOM 0 H GLU A 87 0.990 18.998 -0.567 1.00 35.44 H new ATOM 0 HA GLU A 87 2.147 18.416 1.951 1.00 42.53 H new ATOM 0 HB2 GLU A 87 1.920 21.063 0.452 1.00 15.42 H new ATOM 0 HB3 GLU A 87 3.064 20.699 1.728 1.00 15.42 H new ATOM 0 HG2 GLU A 87 4.215 19.059 0.333 1.00 3.23 H new ATOM 0 HG3 GLU A 87 2.975 19.156 -0.901 1.00 3.23 H new ATOM 1387 N GLN A 88 0.411 18.996 3.583 1.00 22.00 N ATOM 1388 CA GLN A 88 -0.621 19.226 4.607 1.00 51.22 C ATOM 1389 C GLN A 88 -0.389 20.541 5.382 1.00 2.14 C ATOM 1390 O GLN A 88 0.718 20.809 5.870 1.00 32.31 O ATOM 1391 CB GLN A 88 -0.681 18.011 5.564 1.00 44.13 C ATOM 1392 CG GLN A 88 -1.006 16.672 4.860 1.00 14.11 C ATOM 1393 CD GLN A 88 -1.134 15.463 5.793 1.00 0.20 C ATOM 1394 OE1 GLN A 88 -0.792 14.343 5.420 1.00 43.11 O ATOM 1395 NE2 GLN A 88 -1.675 15.661 6.992 1.00 43.23 N ATOM 0 H GLN A 88 1.001 18.188 3.784 1.00 22.00 H new ATOM 0 HA GLN A 88 -1.583 19.332 4.105 1.00 51.22 H new ATOM 0 HB2 GLN A 88 0.276 17.917 6.077 1.00 44.13 H new ATOM 0 HB3 GLN A 88 -1.435 18.200 6.328 1.00 44.13 H new ATOM 0 HG2 GLN A 88 -1.939 16.786 4.308 1.00 14.11 H new ATOM 0 HG3 GLN A 88 -0.226 16.465 4.127 1.00 14.11 H new ATOM 0 HE21 GLN A 88 -1.951 16.600 7.278 1.00 43.23 H new ATOM 0 HE22 GLN A 88 -1.814 14.873 7.625 1.00 43.23 H new ATOM 1404 N GLY A 89 -1.451 21.358 5.452 1.00 3.14 N ATOM 1405 CA GLY A 89 -1.427 22.647 6.131 1.00 34.40 C ATOM 1406 C GLY A 89 -2.616 23.507 5.732 1.00 44.41 C ATOM 1407 O GLY A 89 -3.697 22.983 5.422 1.00 0.42 O ATOM 0 H GLY A 89 -2.354 21.134 5.033 1.00 3.14 H new ATOM 0 HA2 GLY A 89 -1.434 22.492 7.210 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -0.501 23.169 5.890 1.00 34.40 H new ATOM 1411 N GLY A 90 -2.403 24.831 5.714 1.00 72.32 N ATOM 1412 CA GLY A 90 -3.411 25.800 5.268 1.00 13.03 C ATOM 1413 C GLY A 90 -3.176 26.248 3.827 1.00 11.11 C ATOM 1414 O GLY A 90 -3.599 27.343 3.436 1.00 72.13 O ATOM 0 H GLY A 90 -1.525 25.259 6.009 1.00 72.32 H new ATOM 0 HA2 GLY A 90 -4.403 25.356 5.352 1.00 13.03 H new ATOM 0 HA3 GLY A 90 -3.394 26.669 5.925 1.00 13.03 H new ATOM 1418 N LEU A 91 -2.498 25.386 3.033 1.00 71.33 N ATOM 1419 CA LEU A 91 -2.176 25.648 1.615 1.00 63.33 C ATOM 1420 C LEU A 91 -3.414 25.418 0.721 1.00 74.41 C ATOM 1421 O LEU A 91 -4.438 24.905 1.181 1.00 45.01 O ATOM 1422 CB LEU A 91 -0.991 24.739 1.159 1.00 64.22 C ATOM 1423 CG LEU A 91 0.349 24.890 1.950 1.00 15.04 C ATOM 1424 CD1 LEU A 91 1.444 23.957 1.379 1.00 0.11 C ATOM 1425 CD2 LEU A 91 0.823 26.361 1.988 1.00 63.51 C ATOM 0 H LEU A 91 -2.158 24.483 3.364 1.00 71.33 H new ATOM 0 HA LEU A 91 -1.877 26.691 1.513 1.00 63.33 H new ATOM 0 HB2 LEU A 91 -1.312 23.700 1.228 1.00 64.22 H new ATOM 0 HB3 LEU A 91 -0.791 24.942 0.107 1.00 64.22 H new ATOM 0 HG LEU A 91 0.159 24.585 2.979 1.00 15.04 H new ATOM 0 HD11 LEU A 91 2.364 24.084 1.949 1.00 0.11 H new ATOM 0 HD12 LEU A 91 1.113 22.921 1.451 1.00 0.11 H new ATOM 0 HD13 LEU A 91 1.627 24.208 0.334 1.00 0.11 H new ATOM 0 HD21 LEU A 91 1.757 26.428 2.546 1.00 63.51 H new ATOM 0 HD22 LEU A 91 0.982 26.719 0.971 1.00 63.51 H new ATOM 0 HD23 LEU A 91 0.065 26.975 2.474 1.00 63.51 H new ATOM 1437 N VAL A 92 -3.275 25.749 -0.580 1.00 63.22 N ATOM 1438 CA VAL A 92 -4.365 25.638 -1.583 1.00 1.31 C ATOM 1439 C VAL A 92 -4.596 24.158 -2.039 1.00 20.34 C ATOM 1440 O VAL A 92 -5.343 23.885 -2.984 1.00 13.53 O ATOM 1441 CB VAL A 92 -4.056 26.582 -2.813 1.00 21.23 C ATOM 1442 CG1 VAL A 92 -2.843 26.088 -3.632 1.00 24.23 C ATOM 1443 CG2 VAL A 92 -5.308 26.826 -3.699 1.00 4.34 C ATOM 0 H VAL A 92 -2.401 26.103 -0.970 1.00 63.22 H new ATOM 0 HA VAL A 92 -5.294 25.963 -1.115 1.00 1.31 H new ATOM 0 HB VAL A 92 -3.780 27.552 -2.401 1.00 21.23 H new ATOM 0 HG11 VAL A 92 -2.667 26.766 -4.467 1.00 24.23 H new ATOM 0 HG12 VAL A 92 -1.960 26.061 -2.994 1.00 24.23 H new ATOM 0 HG13 VAL A 92 -3.045 25.087 -4.014 1.00 24.23 H new ATOM 0 HG21 VAL A 92 -5.044 27.480 -4.530 1.00 4.34 H new ATOM 0 HG22 VAL A 92 -5.670 25.874 -4.087 1.00 4.34 H new ATOM 0 HG23 VAL A 92 -6.090 27.295 -3.102 1.00 4.34 H new ATOM 1453 N LYS A 93 -3.935 23.206 -1.344 1.00 35.11 N ATOM 1454 CA LYS A 93 -4.134 21.748 -1.527 1.00 15.12 C ATOM 1455 C LYS A 93 -5.618 21.355 -1.281 1.00 55.11 C ATOM 1456 O LYS A 93 -6.300 22.023 -0.500 1.00 25.33 O ATOM 1457 CB LYS A 93 -3.233 20.969 -0.518 1.00 52.33 C ATOM 1458 CG LYS A 93 -1.742 21.343 -0.531 1.00 72.43 C ATOM 1459 CD LYS A 93 -1.037 21.028 -1.862 1.00 71.14 C ATOM 1460 CE LYS A 93 0.425 21.501 -1.863 1.00 65.01 C ATOM 1461 NZ LYS A 93 1.133 21.160 -3.128 1.00 53.44 N ATOM 0 H LYS A 93 -3.240 23.429 -0.632 1.00 35.11 H new ATOM 0 HA LYS A 93 -3.865 21.492 -2.552 1.00 15.12 H new ATOM 0 HB2 LYS A 93 -3.621 21.131 0.488 1.00 52.33 H new ATOM 0 HB3 LYS A 93 -3.323 19.903 -0.726 1.00 52.33 H new ATOM 0 HG2 LYS A 93 -1.642 22.408 -0.320 1.00 72.43 H new ATOM 0 HG3 LYS A 93 -1.236 20.809 0.273 1.00 72.43 H new ATOM 0 HD2 LYS A 93 -1.071 19.954 -2.045 1.00 71.14 H new ATOM 0 HD3 LYS A 93 -1.574 21.508 -2.680 1.00 71.14 H new ATOM 0 HE2 LYS A 93 0.455 22.580 -1.713 1.00 65.01 H new ATOM 0 HE3 LYS A 93 0.951 21.048 -1.022 1.00 65.01 H new ATOM 0 HZ1 LYS A 93 2.158 21.132 -2.955 1.00 53.44 H new ATOM 0 HZ2 LYS A 93 0.813 20.230 -3.465 1.00 53.44 H new ATOM 0 HZ3 LYS A 93 0.923 21.880 -3.848 1.00 53.44 H new ATOM 1475 N PRO A 94 -6.150 20.276 -1.939 1.00 54.41 N ATOM 1476 CA PRO A 94 -7.474 19.708 -1.588 1.00 34.32 C ATOM 1477 C PRO A 94 -7.388 18.963 -0.240 1.00 42.44 C ATOM 1478 O PRO A 94 -6.340 18.375 0.084 1.00 53.44 O ATOM 1479 CB PRO A 94 -7.770 18.743 -2.757 1.00 24.22 C ATOM 1480 CG PRO A 94 -6.417 18.312 -3.217 1.00 51.45 C ATOM 1481 CD PRO A 94 -5.526 19.529 -3.066 1.00 12.15 C ATOM 0 HA PRO A 94 -8.256 20.457 -1.464 1.00 34.32 H new ATOM 0 HB2 PRO A 94 -8.371 17.894 -2.432 1.00 24.22 H new ATOM 0 HB3 PRO A 94 -8.324 19.239 -3.554 1.00 24.22 H new ATOM 0 HG2 PRO A 94 -6.047 17.479 -2.619 1.00 51.45 H new ATOM 0 HG3 PRO A 94 -6.445 17.973 -4.253 1.00 51.45 H new ATOM 0 HD2 PRO A 94 -4.497 19.248 -2.841 1.00 12.15 H new ATOM 0 HD3 PRO A 94 -5.502 20.125 -3.978 1.00 12.15 H new ATOM 1489 N GLU A 95 -8.477 18.987 0.542 1.00 62.51 N ATOM 1490 CA GLU A 95 -8.506 18.351 1.870 1.00 20.41 C ATOM 1491 C GLU A 95 -8.845 16.848 1.748 1.00 15.15 C ATOM 1492 O GLU A 95 -9.928 16.379 2.111 1.00 3.23 O ATOM 1493 CB GLU A 95 -9.444 19.110 2.858 1.00 1.22 C ATOM 1494 CG GLU A 95 -10.900 19.293 2.385 1.00 1.03 C ATOM 1495 CD GLU A 95 -11.819 19.872 3.467 1.00 12.45 C ATOM 1496 OE1 GLU A 95 -11.839 21.109 3.645 1.00 34.25 O ATOM 1497 OE2 GLU A 95 -12.518 19.096 4.154 1.00 1.31 O ATOM 0 H GLU A 95 -9.352 19.441 0.278 1.00 62.51 H new ATOM 0 HA GLU A 95 -7.508 18.418 2.303 1.00 20.41 H new ATOM 0 HB2 GLU A 95 -9.454 18.573 3.807 1.00 1.22 H new ATOM 0 HB3 GLU A 95 -9.017 20.094 3.053 1.00 1.22 H new ATOM 0 HG2 GLU A 95 -10.913 19.951 1.516 1.00 1.03 H new ATOM 0 HG3 GLU A 95 -11.294 18.330 2.061 1.00 1.03 H new ATOM 1504 N ARG A 96 -7.893 16.120 1.174 1.00 41.23 N ATOM 1505 CA ARG A 96 -7.854 14.657 1.170 1.00 10.45 C ATOM 1506 C ARG A 96 -6.430 14.226 1.511 1.00 34.12 C ATOM 1507 O ARG A 96 -5.472 15.000 1.324 1.00 54.30 O ATOM 1508 CB ARG A 96 -8.298 14.063 -0.195 1.00 1.22 C ATOM 1509 CG ARG A 96 -7.419 14.426 -1.414 1.00 5.40 C ATOM 1510 CD ARG A 96 -7.918 13.740 -2.698 1.00 12.41 C ATOM 1511 NE ARG A 96 -9.294 14.147 -3.048 1.00 1.03 N ATOM 1512 CZ ARG A 96 -10.306 13.310 -3.346 1.00 51.32 C ATOM 1513 NH1 ARG A 96 -10.127 11.988 -3.331 1.00 74.14 N ATOM 1514 NH2 ARG A 96 -11.498 13.806 -3.651 1.00 13.14 N ATOM 0 H ARG A 96 -7.104 16.541 0.684 1.00 41.23 H new ATOM 0 HA ARG A 96 -8.558 14.277 1.910 1.00 10.45 H new ATOM 0 HB2 ARG A 96 -8.326 12.977 -0.104 1.00 1.22 H new ATOM 0 HB3 ARG A 96 -9.317 14.392 -0.397 1.00 1.22 H new ATOM 0 HG2 ARG A 96 -7.420 15.507 -1.555 1.00 5.40 H new ATOM 0 HG3 ARG A 96 -6.388 14.131 -1.220 1.00 5.40 H new ATOM 0 HD2 ARG A 96 -7.248 13.984 -3.522 1.00 12.41 H new ATOM 0 HD3 ARG A 96 -7.883 12.658 -2.568 1.00 12.41 H new ATOM 0 HE ARG A 96 -9.495 15.147 -3.065 1.00 1.03 H new ATOM 0 HH11 ARG A 96 -9.215 11.600 -3.092 1.00 74.14 H new ATOM 0 HH12 ARG A 96 -10.902 11.366 -3.559 1.00 74.14 H new ATOM 0 HH21 ARG A 96 -11.644 14.816 -3.659 1.00 13.14 H new ATOM 0 HH22 ARG A 96 -12.269 13.178 -3.878 1.00 13.14 H new ATOM 1528 N ASP A 97 -6.295 13.004 2.009 1.00 33.33 N ATOM 1529 CA ASP A 97 -4.993 12.465 2.394 1.00 62.33 C ATOM 1530 C ASP A 97 -4.277 11.962 1.139 1.00 73.23 C ATOM 1531 O ASP A 97 -4.921 11.449 0.221 1.00 15.31 O ATOM 1532 CB ASP A 97 -5.150 11.308 3.408 1.00 15.30 C ATOM 1533 CG ASP A 97 -6.087 11.642 4.582 1.00 71.30 C ATOM 1534 OD1 ASP A 97 -7.306 11.401 4.454 1.00 54.22 O ATOM 1535 OD2 ASP A 97 -5.619 12.139 5.621 1.00 14.44 O ATOM 0 H ASP A 97 -7.074 12.363 2.157 1.00 33.33 H new ATOM 0 HA ASP A 97 -4.409 13.253 2.870 1.00 62.33 H new ATOM 0 HB2 ASP A 97 -5.531 10.429 2.888 1.00 15.30 H new ATOM 0 HB3 ASP A 97 -4.168 11.044 3.801 1.00 15.30 H new ATOM 1540 N ASP A 98 -2.963 12.154 1.101 1.00 71.20 N ATOM 1541 CA ASP A 98 -2.082 11.512 0.120 1.00 21.30 C ATOM 1542 C ASP A 98 -0.847 11.000 0.848 1.00 72.33 C ATOM 1543 O ASP A 98 -0.169 11.764 1.541 1.00 43.23 O ATOM 1544 CB ASP A 98 -1.662 12.468 -1.015 1.00 74.40 C ATOM 1545 CG ASP A 98 -0.703 11.795 -2.019 1.00 43.31 C ATOM 1546 OD1 ASP A 98 -1.163 10.939 -2.798 1.00 13.43 O ATOM 1547 OD2 ASP A 98 0.509 12.095 -2.014 1.00 75.45 O ATOM 0 H ASP A 98 -2.471 12.764 1.754 1.00 71.20 H new ATOM 0 HA ASP A 98 -2.630 10.693 -0.347 1.00 21.30 H new ATOM 0 HB2 ASP A 98 -2.550 12.817 -1.542 1.00 74.40 H new ATOM 0 HB3 ASP A 98 -1.179 13.347 -0.588 1.00 74.40 H new ATOM 1552 N THR A 99 -0.588 9.699 0.740 1.00 14.11 N ATOM 1553 CA THR A 99 0.583 9.069 1.328 1.00 24.54 C ATOM 1554 C THR A 99 1.187 8.086 0.320 1.00 51.44 C ATOM 1555 O THR A 99 0.567 7.075 -0.010 1.00 42.23 O ATOM 1556 CB THR A 99 0.199 8.333 2.649 1.00 43.44 C ATOM 1557 OG1 THR A 99 -0.537 9.220 3.508 1.00 43.33 O ATOM 1558 CG2 THR A 99 1.435 7.840 3.393 1.00 5.11 C ATOM 0 H THR A 99 -1.193 9.050 0.237 1.00 14.11 H new ATOM 0 HA THR A 99 1.322 9.833 1.570 1.00 24.54 H new ATOM 0 HB THR A 99 -0.414 7.472 2.380 1.00 43.44 H new ATOM 0 HG1 THR A 99 -0.987 8.700 4.207 1.00 43.33 H new ATOM 0 HG21 THR A 99 1.130 7.332 4.308 1.00 5.11 H new ATOM 0 HG22 THR A 99 1.988 7.146 2.760 1.00 5.11 H new ATOM 0 HG23 THR A 99 2.071 8.689 3.644 1.00 5.11 H new ATOM 1566 N GLU A 100 2.400 8.384 -0.152 1.00 65.41 N ATOM 1567 CA GLU A 100 3.100 7.564 -1.135 1.00 22.12 C ATOM 1568 C GLU A 100 4.196 6.761 -0.421 1.00 32.12 C ATOM 1569 O GLU A 100 5.159 7.343 0.095 1.00 61.13 O ATOM 1570 CB GLU A 100 3.714 8.447 -2.254 1.00 50.33 C ATOM 1571 CG GLU A 100 4.480 7.656 -3.331 1.00 31.34 C ATOM 1572 CD GLU A 100 5.249 8.556 -4.299 1.00 52.43 C ATOM 1573 OE1 GLU A 100 6.290 9.114 -3.892 1.00 11.04 O ATOM 1574 OE2 GLU A 100 4.822 8.725 -5.457 1.00 44.34 O ATOM 0 H GLU A 100 2.925 9.208 0.141 1.00 65.41 H new ATOM 0 HA GLU A 100 2.392 6.881 -1.605 1.00 22.12 H new ATOM 0 HB2 GLU A 100 2.916 9.014 -2.734 1.00 50.33 H new ATOM 0 HB3 GLU A 100 4.391 9.171 -1.800 1.00 50.33 H new ATOM 0 HG2 GLU A 100 5.178 6.974 -2.845 1.00 31.34 H new ATOM 0 HG3 GLU A 100 3.776 7.044 -3.894 1.00 31.34 H new ATOM 1581 N PHE A 101 4.026 5.441 -0.352 1.00 60.54 N ATOM 1582 CA PHE A 101 5.028 4.534 0.211 1.00 60.45 C ATOM 1583 C PHE A 101 5.860 3.936 -0.930 1.00 31.24 C ATOM 1584 O PHE A 101 5.305 3.422 -1.917 1.00 41.33 O ATOM 1585 CB PHE A 101 4.353 3.412 1.038 1.00 31.41 C ATOM 1586 CG PHE A 101 3.613 3.891 2.286 1.00 34.32 C ATOM 1587 CD1 PHE A 101 4.319 4.242 3.439 1.00 63.23 C ATOM 1588 CD2 PHE A 101 2.217 3.971 2.316 1.00 32.44 C ATOM 1589 CE1 PHE A 101 3.655 4.656 4.578 1.00 22.11 C ATOM 1590 CE2 PHE A 101 1.556 4.385 3.458 1.00 61.11 C ATOM 1591 CZ PHE A 101 2.276 4.725 4.589 1.00 42.43 C ATOM 0 H PHE A 101 3.186 4.968 -0.686 1.00 60.54 H new ATOM 0 HA PHE A 101 5.680 5.093 0.882 1.00 60.45 H new ATOM 0 HB2 PHE A 101 3.649 2.881 0.397 1.00 31.41 H new ATOM 0 HB3 PHE A 101 5.115 2.693 1.338 1.00 31.41 H new ATOM 0 HD1 PHE A 101 5.398 4.189 3.440 1.00 63.23 H new ATOM 0 HD2 PHE A 101 1.648 3.706 1.437 1.00 32.44 H new ATOM 0 HE1 PHE A 101 4.215 4.926 5.461 1.00 22.11 H new ATOM 0 HE2 PHE A 101 0.478 4.443 3.467 1.00 61.11 H new ATOM 0 HZ PHE A 101 1.759 5.045 5.482 1.00 42.43 H new ATOM 1601 N GLN A 102 7.186 4.019 -0.790 1.00 64.41 N ATOM 1602 CA GLN A 102 8.149 3.494 -1.770 1.00 41.13 C ATOM 1603 C GLN A 102 9.094 2.509 -1.081 1.00 42.14 C ATOM 1604 O GLN A 102 9.363 2.639 0.111 1.00 22.34 O ATOM 1605 CB GLN A 102 8.956 4.645 -2.426 1.00 13.23 C ATOM 1606 CG GLN A 102 9.657 5.608 -1.445 1.00 64.31 C ATOM 1607 CD GLN A 102 10.653 6.558 -2.123 1.00 13.02 C ATOM 1608 OE1 GLN A 102 11.290 6.204 -3.117 1.00 45.21 O ATOM 1609 NE2 GLN A 102 10.791 7.766 -1.597 1.00 72.12 N ATOM 0 H GLN A 102 7.630 4.458 0.017 1.00 64.41 H new ATOM 0 HA GLN A 102 7.600 2.978 -2.558 1.00 41.13 H new ATOM 0 HB2 GLN A 102 9.710 4.209 -3.081 1.00 13.23 H new ATOM 0 HB3 GLN A 102 8.282 5.224 -3.057 1.00 13.23 H new ATOM 0 HG2 GLN A 102 8.902 6.197 -0.925 1.00 64.31 H new ATOM 0 HG3 GLN A 102 10.182 5.024 -0.689 1.00 64.31 H new ATOM 0 HE21 GLN A 102 10.249 8.029 -0.774 1.00 72.12 H new ATOM 0 HE22 GLN A 102 11.439 8.433 -2.015 1.00 72.12 H new ATOM 1618 N HIS A 103 9.582 1.521 -1.838 1.00 14.01 N ATOM 1619 CA HIS A 103 10.579 0.550 -1.361 1.00 51.34 C ATOM 1620 C HIS A 103 11.324 -0.029 -2.591 1.00 35.22 C ATOM 1621 O HIS A 103 10.668 -0.362 -3.573 1.00 25.42 O ATOM 1622 CB HIS A 103 9.885 -0.574 -0.533 1.00 11.42 C ATOM 1623 CG HIS A 103 10.837 -1.463 0.218 1.00 24.44 C ATOM 1624 ND1 HIS A 103 11.152 -2.744 -0.168 1.00 71.32 N ATOM 1625 CD2 HIS A 103 11.570 -1.223 1.330 1.00 65.43 C ATOM 1626 CE1 HIS A 103 12.033 -3.245 0.679 1.00 0.33 C ATOM 1627 NE2 HIS A 103 12.301 -2.343 1.592 1.00 22.05 N ATOM 0 H HIS A 103 9.296 1.369 -2.805 1.00 14.01 H new ATOM 0 HA HIS A 103 11.299 1.037 -0.703 1.00 51.34 H new ATOM 0 HB2 HIS A 103 9.197 -0.115 0.177 1.00 11.42 H new ATOM 0 HB3 HIS A 103 9.286 -1.188 -1.205 1.00 11.42 H new ATOM 0 HD2 HIS A 103 11.575 -0.309 1.906 1.00 65.43 H new ATOM 0 HE1 HIS A 103 12.462 -4.235 0.628 1.00 0.33 H new ATOM 0 HE2 HIS A 103 12.950 -2.460 2.370 1.00 22.05 H new ATOM 1636 N PRO A 104 12.695 -0.165 -2.572 1.00 75.03 N ATOM 1637 CA PRO A 104 13.475 -0.664 -3.747 1.00 61.21 C ATOM 1638 C PRO A 104 13.060 -2.089 -4.181 1.00 55.10 C ATOM 1639 O PRO A 104 13.103 -2.424 -5.367 1.00 31.00 O ATOM 1640 CB PRO A 104 14.948 -0.627 -3.246 1.00 60.41 C ATOM 1641 CG PRO A 104 14.848 -0.619 -1.750 1.00 0.15 C ATOM 1642 CD PRO A 104 13.599 0.170 -1.437 1.00 62.01 C ATOM 0 HA PRO A 104 13.306 -0.057 -4.636 1.00 61.21 H new ATOM 0 HB2 PRO A 104 15.507 -1.493 -3.600 1.00 60.41 H new ATOM 0 HB3 PRO A 104 15.467 0.259 -3.612 1.00 60.41 H new ATOM 0 HG2 PRO A 104 14.782 -1.633 -1.355 1.00 0.15 H new ATOM 0 HG3 PRO A 104 15.727 -0.158 -1.300 1.00 0.15 H new ATOM 0 HD2 PRO A 104 13.168 -0.121 -0.479 1.00 62.01 H new ATOM 0 HD3 PRO A 104 13.801 1.240 -1.384 1.00 62.01 H new ATOM 1650 N CYS A 105 12.627 -2.905 -3.205 1.00 42.14 N ATOM 1651 CA CYS A 105 12.203 -4.301 -3.452 1.00 44.31 C ATOM 1652 C CYS A 105 10.675 -4.391 -3.719 1.00 31.23 C ATOM 1653 O CYS A 105 10.118 -5.491 -3.788 1.00 20.24 O ATOM 1654 CB CYS A 105 12.613 -5.185 -2.248 1.00 5.11 C ATOM 1655 SG CYS A 105 14.267 -4.838 -1.601 1.00 4.10 S ATOM 0 H CYS A 105 12.560 -2.622 -2.227 1.00 42.14 H new ATOM 0 HA CYS A 105 12.704 -4.666 -4.348 1.00 44.31 H new ATOM 0 HB2 CYS A 105 11.886 -5.048 -1.447 1.00 5.11 H new ATOM 0 HB3 CYS A 105 12.565 -6.232 -2.547 1.00 5.11 H new ATOM 0 HG CYS A 105 14.514 -5.626 -0.597 1.00 4.10 H new ATOM 1661 N PHE A 106 10.004 -3.230 -3.850 1.00 72.30 N ATOM 1662 CA PHE A 106 8.575 -3.139 -4.224 1.00 72.52 C ATOM 1663 C PHE A 106 8.459 -2.253 -5.475 1.00 71.33 C ATOM 1664 O PHE A 106 8.542 -1.020 -5.378 1.00 33.11 O ATOM 1665 CB PHE A 106 7.722 -2.547 -3.054 1.00 63.34 C ATOM 1666 CG PHE A 106 6.190 -2.553 -3.271 1.00 70.21 C ATOM 1667 CD1 PHE A 106 5.559 -1.610 -4.092 1.00 21.20 C ATOM 1668 CD2 PHE A 106 5.382 -3.508 -2.651 1.00 11.54 C ATOM 1669 CE1 PHE A 106 4.189 -1.630 -4.283 1.00 1.25 C ATOM 1670 CE2 PHE A 106 4.013 -3.527 -2.840 1.00 75.42 C ATOM 1671 CZ PHE A 106 3.416 -2.590 -3.657 1.00 71.40 C ATOM 0 H PHE A 106 10.440 -2.320 -3.698 1.00 72.30 H new ATOM 0 HA PHE A 106 8.190 -4.137 -4.433 1.00 72.52 H new ATOM 0 HB2 PHE A 106 7.944 -3.109 -2.147 1.00 63.34 H new ATOM 0 HB3 PHE A 106 8.042 -1.520 -2.879 1.00 63.34 H new ATOM 0 HD1 PHE A 106 6.152 -0.854 -4.585 1.00 21.20 H new ATOM 0 HD2 PHE A 106 5.837 -4.248 -2.010 1.00 11.54 H new ATOM 0 HE1 PHE A 106 3.723 -0.895 -4.922 1.00 1.25 H new ATOM 0 HE2 PHE A 106 3.410 -4.276 -2.348 1.00 75.42 H new ATOM 0 HZ PHE A 106 2.347 -2.606 -3.807 1.00 71.40 H new ATOM 1681 N LEU A 107 8.296 -2.884 -6.645 1.00 22.34 N ATOM 1682 CA LEU A 107 8.035 -2.184 -7.919 1.00 34.23 C ATOM 1683 C LEU A 107 6.760 -2.770 -8.575 1.00 71.24 C ATOM 1684 O LEU A 107 6.192 -3.767 -8.098 1.00 52.43 O ATOM 1685 CB LEU A 107 9.264 -2.291 -8.884 1.00 12.24 C ATOM 1686 CG LEU A 107 10.661 -1.843 -8.330 1.00 72.11 C ATOM 1687 CD1 LEU A 107 11.779 -2.146 -9.350 1.00 1.24 C ATOM 1688 CD2 LEU A 107 10.676 -0.356 -7.920 1.00 43.12 C ATOM 0 H LEU A 107 8.341 -3.899 -6.740 1.00 22.34 H new ATOM 0 HA LEU A 107 7.876 -1.125 -7.715 1.00 34.23 H new ATOM 0 HB2 LEU A 107 9.348 -3.328 -9.208 1.00 12.24 H new ATOM 0 HB3 LEU A 107 9.048 -1.696 -9.771 1.00 12.24 H new ATOM 0 HG LEU A 107 10.850 -2.424 -7.428 1.00 72.11 H new ATOM 0 HD11 LEU A 107 12.739 -1.827 -8.944 1.00 1.24 H new ATOM 0 HD12 LEU A 107 11.808 -3.217 -9.550 1.00 1.24 H new ATOM 0 HD13 LEU A 107 11.581 -1.609 -10.277 1.00 1.24 H new ATOM 0 HD21 LEU A 107 11.664 -0.093 -7.543 1.00 43.12 H new ATOM 0 HD22 LEU A 107 10.442 0.263 -8.786 1.00 43.12 H new ATOM 0 HD23 LEU A 107 9.933 -0.186 -7.141 1.00 43.12 H new ATOM 1700 N ARG A 108 6.343 -2.144 -9.674 1.00 44.43 N ATOM 1701 CA ARG A 108 5.127 -2.494 -10.428 1.00 21.21 C ATOM 1702 C ARG A 108 5.354 -3.767 -11.279 1.00 1.40 C ATOM 1703 O ARG A 108 6.115 -3.747 -12.250 1.00 34.10 O ATOM 1704 CB ARG A 108 4.761 -1.264 -11.295 1.00 12.40 C ATOM 1705 CG ARG A 108 3.580 -1.416 -12.269 1.00 53.25 C ATOM 1706 CD ARG A 108 3.276 -0.094 -12.992 1.00 72.52 C ATOM 1707 NE ARG A 108 2.302 -0.255 -14.073 1.00 33.03 N ATOM 1708 CZ ARG A 108 2.063 0.672 -15.019 1.00 55.33 C ATOM 1709 NH1 ARG A 108 2.726 1.834 -15.019 1.00 21.40 N ATOM 1710 NH2 ARG A 108 1.181 0.428 -15.970 1.00 35.02 N ATOM 0 H ARG A 108 6.850 -1.358 -10.080 1.00 44.43 H new ATOM 0 HA ARG A 108 4.301 -2.729 -9.757 1.00 21.21 H new ATOM 0 HB2 ARG A 108 4.542 -0.432 -10.626 1.00 12.40 H new ATOM 0 HB3 ARG A 108 5.642 -0.984 -11.873 1.00 12.40 H new ATOM 0 HG2 ARG A 108 3.808 -2.189 -13.002 1.00 53.25 H new ATOM 0 HG3 ARG A 108 2.696 -1.746 -11.723 1.00 53.25 H new ATOM 0 HD2 ARG A 108 2.897 0.631 -12.272 1.00 72.52 H new ATOM 0 HD3 ARG A 108 4.201 0.314 -13.399 1.00 72.52 H new ATOM 0 HE ARG A 108 1.771 -1.125 -14.112 1.00 33.03 H new ATOM 0 HH11 ARG A 108 3.421 2.025 -14.297 1.00 21.40 H new ATOM 0 HH12 ARG A 108 2.537 2.529 -15.741 1.00 21.40 H new ATOM 0 HH21 ARG A 108 0.682 -0.462 -15.987 1.00 35.02 H new ATOM 0 HH22 ARG A 108 0.998 1.129 -16.688 1.00 35.02 H new ATOM 1724 N GLY A 109 4.712 -4.873 -10.867 1.00 61.51 N ATOM 1725 CA GLY A 109 4.867 -6.180 -11.523 1.00 11.24 C ATOM 1726 C GLY A 109 6.147 -6.865 -11.102 1.00 33.22 C ATOM 1727 O GLY A 109 6.796 -7.563 -11.888 1.00 63.24 O ATOM 0 H GLY A 109 4.073 -4.885 -10.072 1.00 61.51 H new ATOM 0 HA2 GLY A 109 4.016 -6.815 -11.277 1.00 11.24 H new ATOM 0 HA3 GLY A 109 4.863 -6.048 -12.605 1.00 11.24 H new ATOM 1731 N GLN A 110 6.497 -6.657 -9.829 1.00 10.23 N ATOM 1732 CA GLN A 110 7.780 -7.076 -9.260 1.00 53.15 C ATOM 1733 C GLN A 110 7.504 -7.782 -7.918 1.00 53.32 C ATOM 1734 O GLN A 110 8.221 -7.605 -6.918 1.00 15.21 O ATOM 1735 CB GLN A 110 8.678 -5.818 -9.103 1.00 64.32 C ATOM 1736 CG GLN A 110 10.194 -6.075 -9.129 1.00 64.33 C ATOM 1737 CD GLN A 110 10.732 -6.581 -10.479 1.00 33.01 C ATOM 1738 OE1 GLN A 110 11.695 -7.340 -10.525 1.00 40.55 O ATOM 1739 NE2 GLN A 110 10.152 -6.128 -11.592 1.00 51.30 N ATOM 0 H GLN A 110 5.890 -6.187 -9.157 1.00 10.23 H new ATOM 0 HA GLN A 110 8.307 -7.780 -9.904 1.00 53.15 H new ATOM 0 HB2 GLN A 110 8.433 -5.117 -9.901 1.00 64.32 H new ATOM 0 HB3 GLN A 110 8.427 -5.330 -8.161 1.00 64.32 H new ATOM 0 HG2 GLN A 110 10.711 -5.151 -8.869 1.00 64.33 H new ATOM 0 HG3 GLN A 110 10.439 -6.805 -8.358 1.00 64.33 H new ATOM 0 HE21 GLN A 110 9.352 -5.498 -11.530 1.00 51.30 H new ATOM 0 HE22 GLN A 110 10.508 -6.412 -12.505 1.00 51.30 H new ATOM 1748 N GLU A 111 6.459 -8.626 -7.946 1.00 4.11 N ATOM 1749 CA GLU A 111 5.961 -9.367 -6.771 1.00 72.55 C ATOM 1750 C GLU A 111 6.966 -10.437 -6.274 1.00 40.15 C ATOM 1751 O GLU A 111 6.891 -10.871 -5.115 1.00 21.13 O ATOM 1752 CB GLU A 111 4.574 -10.022 -7.049 1.00 31.30 C ATOM 1753 CG GLU A 111 4.571 -11.245 -7.990 1.00 72.32 C ATOM 1754 CD GLU A 111 4.994 -10.916 -9.429 1.00 31.42 C ATOM 1755 OE1 GLU A 111 4.122 -10.537 -10.243 1.00 14.44 O ATOM 1756 OE2 GLU A 111 6.197 -11.007 -9.748 1.00 22.32 O ATOM 0 H GLU A 111 5.928 -8.816 -8.796 1.00 4.11 H new ATOM 0 HA GLU A 111 5.844 -8.629 -5.978 1.00 72.55 H new ATOM 0 HB2 GLU A 111 4.141 -10.323 -6.095 1.00 31.30 H new ATOM 0 HB3 GLU A 111 3.916 -9.263 -7.472 1.00 31.30 H new ATOM 0 HG2 GLU A 111 5.242 -12.004 -7.588 1.00 72.32 H new ATOM 0 HG3 GLU A 111 3.571 -11.679 -8.005 1.00 72.32 H new ATOM 1763 N GLN A 112 7.897 -10.868 -7.162 1.00 14.32 N ATOM 1764 CA GLN A 112 8.942 -11.857 -6.816 1.00 52.20 C ATOM 1765 C GLN A 112 10.021 -11.249 -5.891 1.00 5.55 C ATOM 1766 O GLN A 112 10.857 -11.975 -5.353 1.00 14.01 O ATOM 1767 CB GLN A 112 9.599 -12.506 -8.092 1.00 10.23 C ATOM 1768 CG GLN A 112 10.762 -11.724 -8.778 1.00 52.11 C ATOM 1769 CD GLN A 112 10.347 -10.503 -9.614 1.00 64.33 C ATOM 1770 OE1 GLN A 112 9.349 -9.852 -9.357 1.00 65.42 O ATOM 1771 NE2 GLN A 112 11.131 -10.184 -10.633 1.00 45.55 N ATOM 0 H GLN A 112 7.943 -10.542 -8.127 1.00 14.32 H new ATOM 0 HA GLN A 112 8.440 -12.655 -6.269 1.00 52.20 H new ATOM 0 HB2 GLN A 112 9.974 -13.491 -7.814 1.00 10.23 H new ATOM 0 HB3 GLN A 112 8.815 -12.661 -8.833 1.00 10.23 H new ATOM 0 HG2 GLN A 112 11.456 -11.393 -8.006 1.00 52.11 H new ATOM 0 HG3 GLN A 112 11.307 -12.413 -9.423 1.00 52.11 H new ATOM 0 HE21 GLN A 112 11.962 -10.742 -10.831 1.00 45.55 H new ATOM 0 HE22 GLN A 112 10.904 -9.381 -11.219 1.00 45.55 H new ATOM 1780 N LEU A 113 10.037 -9.908 -5.757 1.00 4.04 N ATOM 1781 CA LEU A 113 10.928 -9.212 -4.808 1.00 21.33 C ATOM 1782 C LEU A 113 10.234 -8.929 -3.452 1.00 23.14 C ATOM 1783 O LEU A 113 10.905 -8.499 -2.506 1.00 23.24 O ATOM 1784 CB LEU A 113 11.520 -7.914 -5.434 1.00 13.43 C ATOM 1785 CG LEU A 113 12.390 -8.095 -6.728 1.00 72.04 C ATOM 1786 CD1 LEU A 113 13.130 -6.785 -7.098 1.00 1.03 C ATOM 1787 CD2 LEU A 113 13.377 -9.283 -6.604 1.00 11.03 C ATOM 0 H LEU A 113 9.439 -9.283 -6.297 1.00 4.04 H new ATOM 0 HA LEU A 113 11.759 -9.886 -4.598 1.00 21.33 H new ATOM 0 HB2 LEU A 113 10.695 -7.241 -5.669 1.00 13.43 H new ATOM 0 HB3 LEU A 113 12.130 -7.419 -4.679 1.00 13.43 H new ATOM 0 HG LEU A 113 11.705 -8.332 -7.542 1.00 72.04 H new ATOM 0 HD11 LEU A 113 13.723 -6.944 -7.998 1.00 1.03 H new ATOM 0 HD12 LEU A 113 12.402 -5.994 -7.278 1.00 1.03 H new ATOM 0 HD13 LEU A 113 13.786 -6.494 -6.278 1.00 1.03 H new ATOM 0 HD21 LEU A 113 13.958 -9.371 -7.522 1.00 11.03 H new ATOM 0 HD22 LEU A 113 14.050 -9.111 -5.764 1.00 11.03 H new ATOM 0 HD23 LEU A 113 12.818 -10.204 -6.439 1.00 11.03 H new ATOM 1799 N LEU A 114 8.907 -9.193 -3.348 1.00 21.01 N ATOM 1800 CA LEU A 114 8.138 -8.966 -2.087 1.00 10.22 C ATOM 1801 C LEU A 114 8.495 -10.004 -1.011 1.00 64.31 C ATOM 1802 O LEU A 114 8.400 -9.730 0.188 1.00 1.45 O ATOM 1803 CB LEU A 114 6.603 -8.975 -2.322 1.00 74.14 C ATOM 1804 CG LEU A 114 6.060 -8.021 -3.422 1.00 63.12 C ATOM 1805 CD1 LEU A 114 4.515 -8.040 -3.475 1.00 53.34 C ATOM 1806 CD2 LEU A 114 6.619 -6.600 -3.270 1.00 2.03 C ATOM 0 H LEU A 114 8.345 -9.562 -4.115 1.00 21.01 H new ATOM 0 HA LEU A 114 8.425 -7.975 -1.736 1.00 10.22 H new ATOM 0 HB2 LEU A 114 6.303 -9.992 -2.575 1.00 74.14 H new ATOM 0 HB3 LEU A 114 6.113 -8.723 -1.381 1.00 74.14 H new ATOM 0 HG LEU A 114 6.415 -8.394 -4.383 1.00 63.12 H new ATOM 0 HD11 LEU A 114 4.169 -7.362 -4.255 1.00 53.34 H new ATOM 0 HD12 LEU A 114 4.171 -9.051 -3.694 1.00 53.34 H new ATOM 0 HD13 LEU A 114 4.114 -7.721 -2.513 1.00 53.34 H new ATOM 0 HD21 LEU A 114 6.215 -5.964 -4.058 1.00 2.03 H new ATOM 0 HD22 LEU A 114 6.333 -6.199 -2.298 1.00 2.03 H new ATOM 0 HD23 LEU A 114 7.706 -6.627 -3.346 1.00 2.03 H new ATOM 1818 N GLU A 115 8.911 -11.197 -1.462 1.00 43.53 N ATOM 1819 CA GLU A 115 9.426 -12.265 -0.573 1.00 73.02 C ATOM 1820 C GLU A 115 10.744 -11.846 0.107 1.00 3.30 C ATOM 1821 O GLU A 115 11.135 -12.429 1.117 1.00 53.02 O ATOM 1822 CB GLU A 115 9.668 -13.556 -1.380 1.00 72.14 C ATOM 1823 CG GLU A 115 10.692 -13.399 -2.518 1.00 63.35 C ATOM 1824 CD GLU A 115 10.900 -14.671 -3.333 1.00 23.45 C ATOM 1825 OE1 GLU A 115 10.127 -14.915 -4.279 1.00 64.42 O ATOM 1826 OE2 GLU A 115 11.837 -15.437 -3.027 1.00 41.21 O ATOM 0 H GLU A 115 8.903 -11.454 -2.449 1.00 43.53 H new ATOM 0 HA GLU A 115 8.675 -12.440 0.198 1.00 73.02 H new ATOM 0 HB2 GLU A 115 10.011 -14.338 -0.702 1.00 72.14 H new ATOM 0 HB3 GLU A 115 8.721 -13.892 -1.801 1.00 72.14 H new ATOM 0 HG2 GLU A 115 10.363 -12.601 -3.184 1.00 63.35 H new ATOM 0 HG3 GLU A 115 11.647 -13.088 -2.095 1.00 63.35 H new ATOM 1833 N ASN A 116 11.418 -10.836 -0.467 1.00 52.01 N ATOM 1834 CA ASN A 116 12.705 -10.333 0.038 1.00 20.55 C ATOM 1835 C ASN A 116 12.476 -9.149 0.986 1.00 31.31 C ATOM 1836 O ASN A 116 13.398 -8.734 1.693 1.00 0.35 O ATOM 1837 CB ASN A 116 13.631 -9.914 -1.135 1.00 63.21 C ATOM 1838 CG ASN A 116 13.968 -11.077 -2.067 1.00 75.21 C ATOM 1839 OD1 ASN A 116 13.145 -11.287 -3.080 1.00 43.14 O flip ATOM 1840 ND2 ASN A 116 14.956 -11.787 -1.872 1.00 42.21 N flip ATOM 0 H ASN A 116 11.084 -10.345 -1.296 1.00 52.01 H new ATOM 0 HA ASN A 116 13.195 -11.135 0.589 1.00 20.55 H new ATOM 0 HB2 ASN A 116 13.148 -9.123 -1.709 1.00 63.21 H new ATOM 0 HB3 ASN A 116 14.554 -9.498 -0.732 1.00 63.21 H new ATOM 0 HD21 ASN A 116 15.572 -11.598 -1.081 1.00 42.21 H new ATOM 0 HD22 ASN A 116 15.158 -12.563 -2.502 1.00 42.21 H new ATOM 1847 N ILE A 117 11.228 -8.636 1.018 1.00 0.10 N ATOM 1848 CA ILE A 117 10.835 -7.535 1.909 1.00 22.22 C ATOM 1849 C ILE A 117 10.461 -8.135 3.269 1.00 25.44 C ATOM 1850 O ILE A 117 9.606 -9.031 3.351 1.00 50.25 O ATOM 1851 CB ILE A 117 9.621 -6.687 1.364 1.00 63.32 C ATOM 1852 CG1 ILE A 117 9.893 -6.160 -0.067 1.00 51.55 C ATOM 1853 CG2 ILE A 117 9.277 -5.522 2.325 1.00 73.41 C ATOM 1854 CD1 ILE A 117 8.776 -5.309 -0.649 1.00 24.10 C ATOM 0 H ILE A 117 10.469 -8.976 0.427 1.00 0.10 H new ATOM 0 HA ILE A 117 11.681 -6.851 1.982 1.00 22.22 H new ATOM 0 HB ILE A 117 8.757 -7.350 1.314 1.00 63.32 H new ATOM 0 HG12 ILE A 117 10.811 -5.573 -0.056 1.00 51.55 H new ATOM 0 HG13 ILE A 117 10.066 -7.010 -0.727 1.00 51.55 H new ATOM 0 HG21 ILE A 117 8.437 -4.955 1.924 1.00 73.41 H new ATOM 0 HG22 ILE A 117 9.010 -5.923 3.303 1.00 73.41 H new ATOM 0 HG23 ILE A 117 10.142 -4.866 2.426 1.00 73.41 H new ATOM 0 HD11 ILE A 117 9.051 -4.984 -1.652 1.00 24.10 H new ATOM 0 HD12 ILE A 117 7.859 -5.896 -0.697 1.00 24.10 H new ATOM 0 HD13 ILE A 117 8.616 -4.436 -0.016 1.00 24.10 H new ATOM 1866 N LYS A 118 11.112 -7.647 4.328 1.00 61.03 N ATOM 1867 CA LYS A 118 10.980 -8.197 5.682 1.00 74.40 C ATOM 1868 C LYS A 118 10.612 -7.083 6.656 1.00 30.20 C ATOM 1869 O LYS A 118 11.042 -5.936 6.495 1.00 50.40 O ATOM 1870 CB LYS A 118 12.315 -8.882 6.110 1.00 11.44 C ATOM 1871 CG LYS A 118 12.776 -10.022 5.189 1.00 11.22 C ATOM 1872 CD LYS A 118 11.739 -11.159 5.089 1.00 52.33 C ATOM 1873 CE LYS A 118 12.137 -12.226 4.074 1.00 21.41 C ATOM 1874 NZ LYS A 118 11.118 -13.320 3.997 1.00 64.24 N ATOM 0 H LYS A 118 11.750 -6.853 4.271 1.00 61.03 H new ATOM 0 HA LYS A 118 10.188 -8.946 5.693 1.00 74.40 H new ATOM 0 HB2 LYS A 118 13.099 -8.126 6.150 1.00 11.44 H new ATOM 0 HB3 LYS A 118 12.199 -9.274 7.120 1.00 11.44 H new ATOM 0 HG2 LYS A 118 12.970 -9.624 4.193 1.00 11.22 H new ATOM 0 HG3 LYS A 118 13.718 -10.426 5.560 1.00 11.22 H new ATOM 0 HD2 LYS A 118 11.617 -11.622 6.068 1.00 52.33 H new ATOM 0 HD3 LYS A 118 10.772 -10.741 4.811 1.00 52.33 H new ATOM 0 HE2 LYS A 118 12.256 -11.769 3.092 1.00 21.41 H new ATOM 0 HE3 LYS A 118 13.104 -12.647 4.348 1.00 21.41 H new ATOM 0 HZ1 LYS A 118 11.549 -14.218 4.296 1.00 64.24 H new ATOM 0 HZ2 LYS A 118 10.319 -13.094 4.623 1.00 64.24 H new ATOM 0 HZ3 LYS A 118 10.777 -13.409 3.018 1.00 64.24 H new ATOM 1888 N ARG A 119 9.805 -7.445 7.667 1.00 25.12 N ATOM 1889 CA ARG A 119 9.522 -6.573 8.821 1.00 43.14 C ATOM 1890 C ARG A 119 10.523 -6.886 9.952 1.00 52.21 C ATOM 1891 O ARG A 119 10.689 -6.096 10.886 1.00 2.34 O ATOM 1892 CB ARG A 119 8.030 -6.672 9.276 1.00 21.35 C ATOM 1893 CG ARG A 119 7.501 -8.062 9.700 1.00 21.35 C ATOM 1894 CD ARG A 119 5.997 -8.019 10.058 1.00 73.30 C ATOM 1895 NE ARG A 119 5.473 -9.300 10.576 1.00 50.05 N ATOM 1896 CZ ARG A 119 4.195 -9.514 10.964 1.00 40.51 C ATOM 1897 NH1 ARG A 119 3.280 -8.555 10.872 1.00 22.11 N ATOM 1898 NH2 ARG A 119 3.842 -10.685 11.469 1.00 12.23 N ATOM 0 H ARG A 119 9.331 -8.347 7.708 1.00 25.12 H new ATOM 0 HA ARG A 119 9.660 -5.532 8.528 1.00 43.14 H new ATOM 0 HB2 ARG A 119 7.888 -5.989 10.114 1.00 21.35 H new ATOM 0 HB3 ARG A 119 7.405 -6.310 8.460 1.00 21.35 H new ATOM 0 HG2 ARG A 119 7.662 -8.774 8.891 1.00 21.35 H new ATOM 0 HG3 ARG A 119 8.069 -8.421 10.558 1.00 21.35 H new ATOM 0 HD2 ARG A 119 5.832 -7.241 10.803 1.00 73.30 H new ATOM 0 HD3 ARG A 119 5.429 -7.736 9.171 1.00 73.30 H new ATOM 0 HE ARG A 119 6.124 -10.082 10.646 1.00 50.05 H new ATOM 0 HH11 ARG A 119 3.537 -7.639 10.504 1.00 22.11 H new ATOM 0 HH12 ARG A 119 2.321 -8.735 11.170 1.00 22.11 H new ATOM 0 HH21 ARG A 119 4.534 -11.428 11.566 1.00 12.23 H new ATOM 0 HH22 ARG A 119 2.878 -10.845 11.761 1.00 12.23 H new ATOM 1912 N LYS A 120 11.180 -8.071 9.814 1.00 25.04 N ATOM 1913 CA LYS A 120 12.332 -8.560 10.618 1.00 23.15 C ATOM 1914 C LYS A 120 12.742 -9.948 10.074 1.00 2.21 C ATOM 1915 O LYS A 120 12.248 -10.349 9.012 1.00 4.55 O ATOM 1916 CB LYS A 120 12.006 -8.588 12.143 1.00 73.31 C ATOM 1917 CG LYS A 120 10.671 -9.271 12.526 1.00 3.22 C ATOM 1918 CD LYS A 120 10.225 -8.923 13.970 1.00 44.11 C ATOM 1919 CE LYS A 120 10.008 -7.410 14.174 1.00 53.44 C ATOM 1920 NZ LYS A 120 9.735 -7.061 15.596 1.00 72.52 N ATOM 0 H LYS A 120 10.904 -8.745 9.100 1.00 25.04 H new ATOM 0 HA LYS A 120 13.173 -7.873 10.518 1.00 23.15 H new ATOM 0 HB2 LYS A 120 12.817 -9.099 12.661 1.00 73.31 H new ATOM 0 HB3 LYS A 120 11.988 -7.563 12.512 1.00 73.31 H new ATOM 0 HG2 LYS A 120 9.895 -8.965 11.825 1.00 3.22 H new ATOM 0 HG3 LYS A 120 10.778 -10.352 12.432 1.00 3.22 H new ATOM 0 HD2 LYS A 120 9.301 -9.453 14.199 1.00 44.11 H new ATOM 0 HD3 LYS A 120 10.978 -9.277 14.674 1.00 44.11 H new ATOM 0 HE2 LYS A 120 10.892 -6.870 13.834 1.00 53.44 H new ATOM 0 HE3 LYS A 120 9.174 -7.079 13.555 1.00 53.44 H new ATOM 0 HZ1 LYS A 120 9.596 -6.034 15.681 1.00 72.52 H new ATOM 0 HZ2 LYS A 120 8.877 -7.554 15.916 1.00 72.52 H new ATOM 0 HZ3 LYS A 120 10.541 -7.351 16.186 1.00 72.52 H new ATOM 1934 N VAL A 121 13.656 -10.668 10.766 1.00 50.24 N ATOM 1935 CA VAL A 121 14.091 -12.024 10.334 1.00 50.54 C ATOM 1936 C VAL A 121 12.868 -12.968 10.211 1.00 45.52 C ATOM 1937 O VAL A 121 12.694 -13.644 9.187 1.00 74.40 O ATOM 1938 CB VAL A 121 15.174 -12.640 11.302 1.00 64.25 C ATOM 1939 CG1 VAL A 121 15.546 -14.094 10.902 1.00 53.10 C ATOM 1940 CG2 VAL A 121 16.432 -11.738 11.367 1.00 71.31 C ATOM 0 H VAL A 121 14.106 -10.338 11.620 1.00 50.24 H new ATOM 0 HA VAL A 121 14.560 -11.919 9.356 1.00 50.54 H new ATOM 0 HB VAL A 121 14.735 -12.684 12.299 1.00 64.25 H new ATOM 0 HG11 VAL A 121 16.294 -14.481 11.593 1.00 53.10 H new ATOM 0 HG12 VAL A 121 14.656 -14.721 10.942 1.00 53.10 H new ATOM 0 HG13 VAL A 121 15.949 -14.101 9.889 1.00 53.10 H new ATOM 0 HG21 VAL A 121 17.164 -12.183 12.040 1.00 71.31 H new ATOM 0 HG22 VAL A 121 16.865 -11.645 10.371 1.00 71.31 H new ATOM 0 HG23 VAL A 121 16.153 -10.751 11.736 1.00 71.31 H new ATOM 1950 N THR A 122 12.009 -12.969 11.248 1.00 53.31 N ATOM 1951 CA THR A 122 10.722 -13.673 11.216 1.00 54.34 C ATOM 1952 C THR A 122 9.679 -12.825 10.431 1.00 44.50 C ATOM 1953 O THR A 122 9.111 -11.860 10.951 1.00 33.12 O ATOM 1954 CB THR A 122 10.230 -14.050 12.672 1.00 15.01 C ATOM 1955 OG1 THR A 122 8.959 -14.714 12.623 1.00 15.20 O ATOM 1956 CG2 THR A 122 10.155 -12.853 13.644 1.00 13.40 C ATOM 0 H THR A 122 12.191 -12.483 12.126 1.00 53.31 H new ATOM 0 HA THR A 122 10.847 -14.619 10.689 1.00 54.34 H new ATOM 0 HB THR A 122 10.991 -14.722 13.068 1.00 15.01 H new ATOM 0 HG1 THR A 122 8.673 -14.940 13.533 1.00 15.20 H new ATOM 0 HG21 THR A 122 9.810 -13.197 14.619 1.00 13.40 H new ATOM 0 HG22 THR A 122 11.143 -12.405 13.747 1.00 13.40 H new ATOM 0 HG23 THR A 122 9.459 -12.110 13.254 1.00 13.40 H new ATOM 1964 N SER A 123 9.512 -13.140 9.125 1.00 52.30 N ATOM 1965 CA SER A 123 8.509 -12.499 8.249 1.00 53.34 C ATOM 1966 C SER A 123 7.944 -13.530 7.255 1.00 24.23 C ATOM 1967 O SER A 123 8.366 -13.609 6.088 1.00 75.54 O ATOM 1968 CB SER A 123 9.088 -11.266 7.521 1.00 64.33 C ATOM 1969 OG SER A 123 9.527 -10.282 8.439 1.00 23.31 O ATOM 0 H SER A 123 10.072 -13.848 8.650 1.00 52.30 H new ATOM 0 HA SER A 123 7.692 -12.136 8.873 1.00 53.34 H new ATOM 0 HB2 SER A 123 9.921 -11.573 6.889 1.00 64.33 H new ATOM 0 HB3 SER A 123 8.329 -10.840 6.864 1.00 64.33 H new ATOM 0 HG SER A 123 10.455 -10.464 8.695 1.00 23.31 H new ATOM 1975 N VAL A 124 7.033 -14.360 7.777 1.00 52.51 N ATOM 1976 CA VAL A 124 6.280 -15.386 7.024 1.00 42.04 C ATOM 1977 C VAL A 124 4.782 -15.133 7.271 1.00 4.25 C ATOM 1978 O VAL A 124 4.421 -14.573 8.314 1.00 72.12 O ATOM 1979 CB VAL A 124 6.663 -16.853 7.496 1.00 0.23 C ATOM 1980 CG1 VAL A 124 5.972 -17.945 6.635 1.00 61.32 C ATOM 1981 CG2 VAL A 124 8.194 -17.052 7.511 1.00 32.13 C ATOM 0 H VAL A 124 6.787 -14.340 8.767 1.00 52.51 H new ATOM 0 HA VAL A 124 6.524 -15.314 5.964 1.00 42.04 H new ATOM 0 HB VAL A 124 6.293 -16.964 8.515 1.00 0.23 H new ATOM 0 HG11 VAL A 124 6.264 -18.931 6.995 1.00 61.32 H new ATOM 0 HG12 VAL A 124 4.890 -17.837 6.710 1.00 61.32 H new ATOM 0 HG13 VAL A 124 6.276 -17.834 5.594 1.00 61.32 H new ATOM 0 HG21 VAL A 124 8.426 -18.066 7.838 1.00 32.13 H new ATOM 0 HG22 VAL A 124 8.591 -16.895 6.508 1.00 32.13 H new ATOM 0 HG23 VAL A 124 8.647 -16.337 8.197 1.00 32.13 H new ATOM 1991 N SER A 125 3.925 -15.535 6.319 1.00 52.33 N ATOM 1992 CA SER A 125 2.463 -15.404 6.438 1.00 22.43 C ATOM 1993 C SER A 125 1.933 -16.260 7.624 1.00 3.54 C ATOM 1994 O SER A 125 1.957 -17.505 7.524 1.00 0.25 O ATOM 1995 CB SER A 125 1.810 -15.827 5.106 1.00 50.45 C ATOM 1996 OG SER A 125 2.386 -15.131 4.014 1.00 33.20 O ATOM 1997 OXT SER A 125 1.527 -15.685 8.649 1.00 38.00 O ATOM 0 H SER A 125 4.227 -15.961 5.443 1.00 52.33 H new ATOM 0 HA SER A 125 2.203 -14.366 6.645 1.00 22.43 H new ATOM 0 HB2 SER A 125 1.931 -16.901 4.962 1.00 50.45 H new ATOM 0 HB3 SER A 125 0.739 -15.630 5.143 1.00 50.45 H new ATOM 0 HG SER A 125 1.957 -15.417 3.181 1.00 33.20 H new TER 2003 SER A 125