USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=34 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 33 SER OG : rot -128:sc= 1.2 USER MOD Set 1.2: A 129 HIS : no HD1:sc= 0.995 K(o=2.2,f=-0.82) USER MOD Set 2.1: A 86 THR OG1 : rot 112:sc= 0.255 USER MOD Set 2.2: A 115 GLN : amide:sc= 0.228 X(o=0.48,f=0.043) USER MOD Set 3.1: A 71 GLN : amide:sc= 0.0403 X(o=0.11,f=0.48) USER MOD Set 3.2: A 104 THR OG1 : rot 130:sc= 0.072 USER MOD Set 4.1: A 56 TYR OH : rot 8:sc= 0.146 USER MOD Set 4.2: A 69 HIS : no HE2:sc= -0.0832 K(o=0.063,f=-2.1!) USER MOD Set 5.1: A 21 THR OG1 : rot -150:sc= -0.203 USER MOD Set 5.2: A 37 ASN : amide:sc= 0.283 K(o=0.081,f=-0.44) USER MOD Single : A 1 MET CE :methyl 171:sc= -0.806 (180deg=-0.887) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.024) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0.767 (180deg=0.707) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0 USER MOD Single : A 6 TYR OH : rot 129:sc= 0.729 USER MOD Single : A 7 TYR OH : rot 60:sc= 0.636 USER MOD Single : A 16 SER OG : rot -79:sc= 0.00345 USER MOD Single : A 19 LYS NZ :NH3+ -131:sc= 0.76 (180deg=0.0144) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.178 (180deg=-0.723) USER MOD Single : A 28 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.0937 (180deg=-0.279) USER MOD Single : A 40 ASN : amide:sc= 0.501 K(o=0.5,f=-4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0.567 (180deg=0.523) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 83:sc= 0.829 USER MOD Single : A 53 ASN : amide:sc=-0.00353 K(o=-0.0035,f=-0.69) USER MOD Single : A 57 LYS NZ :NH3+ -169:sc=-0.00767 (180deg=-0.153) USER MOD Single : A 58 MET CE :methyl 137:sc= -0.786 (180deg=-1.2) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00489 X(o=-0.0049,f=-0.0049) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0352 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= 0.44 (180deg=-0.429!) USER MOD Single : A 83 GLN : amide:sc= -3.53! C(o=-3.5!,f=-5.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 31:sc= -0.594 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 0.437 (180deg=0.391) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0.137 K(o=0.14,f=-2.2) USER MOD Single : A 97 THR OG1 : rot 80:sc= 0.282 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -165:sc= -0.106 (180deg=-0.443) USER MOD Single : A 108 LYS NZ :NH3+ 172:sc= 0.626 (180deg=0.577) USER MOD Single : A 109 LYS NZ :NH3+ 142:sc= 0.247 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc=-0.00787 (180deg=-0.142) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 168:sc= -0.02 (180deg=-0.164) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=-0.0046) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.062 -8.639 16.846 1.00 22.50 N ATOM 2 CA MET A 1 4.657 -8.530 15.496 1.00 73.12 C ATOM 3 C MET A 1 5.838 -9.475 15.360 1.00 3.32 C ATOM 4 O MET A 1 6.904 -9.252 15.942 1.00 63.03 O ATOM 5 CB MET A 1 5.105 -7.093 15.211 1.00 4.24 C ATOM 6 CG MET A 1 3.962 -6.120 14.958 1.00 64.13 C ATOM 7 SD MET A 1 4.507 -4.400 14.889 1.00 61.11 S ATOM 8 CE MET A 1 5.730 -4.460 13.582 1.00 12.42 C ATOM 0 H1 MET A 1 3.196 -8.064 16.891 1.00 22.50 H new ATOM 0 H2 MET A 1 3.828 -9.633 17.043 1.00 22.50 H new ATOM 0 H3 MET A 1 4.742 -8.296 17.554 1.00 22.50 H new ATOM 0 HA MET A 1 3.894 -8.807 14.768 1.00 73.12 H new ATOM 0 HB2 MET A 1 5.693 -6.734 16.056 1.00 4.24 H new ATOM 0 HB3 MET A 1 5.764 -7.095 14.343 1.00 4.24 H new ATOM 0 HG2 MET A 1 3.472 -6.379 14.019 1.00 64.13 H new ATOM 0 HG3 MET A 1 3.217 -6.229 15.747 1.00 64.13 H new ATOM 0 HE1 MET A 1 6.034 -3.446 13.321 1.00 12.42 H new ATOM 0 HE2 MET A 1 6.599 -5.023 13.922 1.00 12.42 H new ATOM 0 HE3 MET A 1 5.302 -4.947 12.706 1.00 12.42 H new ATOM 20 N LYS A 2 5.625 -10.548 14.614 1.00 34.54 N ATOM 21 CA LYS A 2 6.666 -11.530 14.356 1.00 25.51 C ATOM 22 C LYS A 2 7.286 -11.315 12.986 1.00 22.14 C ATOM 23 O LYS A 2 6.740 -10.582 12.167 1.00 22.15 O ATOM 24 CB LYS A 2 6.097 -12.950 14.461 1.00 1.12 C ATOM 25 CG LYS A 2 6.365 -13.655 15.790 1.00 23.40 C ATOM 26 CD LYS A 2 7.786 -14.225 15.876 1.00 70.01 C ATOM 27 CE LYS A 2 8.817 -13.184 16.306 1.00 11.10 C ATOM 28 NZ LYS A 2 10.202 -13.710 16.222 1.00 2.01 N ATOM 0 H LYS A 2 4.731 -10.762 14.173 1.00 34.54 H new ATOM 0 HA LYS A 2 7.445 -11.405 15.108 1.00 25.51 H new ATOM 0 HB2 LYS A 2 5.020 -12.907 14.300 1.00 1.12 H new ATOM 0 HB3 LYS A 2 6.515 -13.554 13.656 1.00 1.12 H new ATOM 0 HG2 LYS A 2 6.209 -12.952 16.608 1.00 23.40 H new ATOM 0 HG3 LYS A 2 5.645 -14.462 15.921 1.00 23.40 H new ATOM 0 HD2 LYS A 2 7.797 -15.054 16.583 1.00 70.01 H new ATOM 0 HD3 LYS A 2 8.069 -14.630 14.905 1.00 70.01 H new ATOM 0 HE2 LYS A 2 8.725 -12.300 15.675 1.00 11.10 H new ATOM 0 HE3 LYS A 2 8.610 -12.869 17.329 1.00 11.10 H new ATOM 0 HZ1 LYS A 2 10.858 -13.034 16.663 1.00 2.01 H new ATOM 0 HZ2 LYS A 2 10.258 -14.621 16.720 1.00 2.01 H new ATOM 0 HZ3 LYS A 2 10.462 -13.844 15.224 1.00 2.01 H new ATOM 42 N ASP A 3 8.427 -11.952 12.747 1.00 44.23 N ATOM 43 CA ASP A 3 9.094 -11.871 11.457 1.00 14.34 C ATOM 44 C ASP A 3 8.297 -12.621 10.385 1.00 72.11 C ATOM 45 O ASP A 3 8.133 -13.843 10.423 1.00 63.35 O ATOM 46 CB ASP A 3 10.556 -12.355 11.541 1.00 30.32 C ATOM 47 CG ASP A 3 10.740 -13.762 12.089 1.00 61.40 C ATOM 48 OD1 ASP A 3 10.580 -13.958 13.312 1.00 23.52 O ATOM 49 OD2 ASP A 3 11.074 -14.666 11.303 1.00 12.21 O ATOM 0 H ASP A 3 8.909 -12.532 13.434 1.00 44.23 H new ATOM 0 HA ASP A 3 9.132 -10.822 11.162 1.00 14.34 H new ATOM 0 HB2 ASP A 3 10.995 -12.310 10.544 1.00 30.32 H new ATOM 0 HB3 ASP A 3 11.116 -11.662 12.168 1.00 30.32 H new ATOM 54 N GLY A 4 7.750 -11.849 9.465 1.00 64.11 N ATOM 55 CA GLY A 4 6.931 -12.392 8.412 1.00 23.42 C ATOM 56 C GLY A 4 6.473 -11.327 7.456 1.00 20.13 C ATOM 57 O GLY A 4 6.770 -10.143 7.638 1.00 74.41 O ATOM 0 H GLY A 4 7.863 -10.836 9.431 1.00 64.11 H new ATOM 0 HA2 GLY A 4 7.494 -13.151 7.868 1.00 23.42 H new ATOM 0 HA3 GLY A 4 6.063 -12.889 8.846 1.00 23.42 H new ATOM 61 N THR A 5 5.738 -11.744 6.447 1.00 52.44 N ATOM 62 CA THR A 5 5.317 -10.838 5.406 1.00 14.41 C ATOM 63 C THR A 5 3.799 -10.673 5.443 1.00 71.00 C ATOM 64 O THR A 5 3.053 -11.626 5.319 1.00 1.12 O ATOM 65 CB THR A 5 5.785 -11.334 4.019 1.00 52.24 C ATOM 66 OG1 THR A 5 7.147 -11.784 4.081 1.00 10.34 O ATOM 67 CG2 THR A 5 5.685 -10.228 2.987 1.00 61.12 C ATOM 0 H THR A 5 5.421 -12.706 6.328 1.00 52.44 H new ATOM 0 HA THR A 5 5.778 -9.866 5.581 1.00 14.41 H new ATOM 0 HB THR A 5 5.135 -12.160 3.728 1.00 52.24 H new ATOM 0 HG1 THR A 5 7.578 -11.643 3.212 1.00 10.34 H new ATOM 0 HG21 THR A 5 6.020 -10.602 2.019 1.00 61.12 H new ATOM 0 HG22 THR A 5 4.650 -9.896 2.909 1.00 61.12 H new ATOM 0 HG23 THR A 5 6.313 -9.390 3.290 1.00 61.12 H new ATOM 75 N TYR A 6 3.357 -9.457 5.643 1.00 52.03 N ATOM 76 CA TYR A 6 1.940 -9.154 5.733 1.00 75.40 C ATOM 77 C TYR A 6 1.485 -8.543 4.448 1.00 50.20 C ATOM 78 O TYR A 6 2.229 -7.844 3.797 1.00 24.20 O ATOM 79 CB TYR A 6 1.681 -8.187 6.894 1.00 55.01 C ATOM 80 CG TYR A 6 2.306 -8.625 8.189 1.00 34.25 C ATOM 81 CD1 TYR A 6 1.755 -9.649 8.929 1.00 23.22 C ATOM 82 CD2 TYR A 6 3.456 -8.022 8.660 1.00 10.22 C ATOM 83 CE1 TYR A 6 2.327 -10.054 10.107 1.00 52.45 C ATOM 84 CE2 TYR A 6 4.032 -8.425 9.839 1.00 54.34 C ATOM 85 CZ TYR A 6 3.468 -9.442 10.557 1.00 32.33 C ATOM 86 OH TYR A 6 4.029 -9.830 11.743 1.00 4.04 O ATOM 0 H TYR A 6 3.965 -8.645 5.749 1.00 52.03 H new ATOM 0 HA TYR A 6 1.384 -10.074 5.915 1.00 75.40 H new ATOM 0 HB2 TYR A 6 2.065 -7.202 6.629 1.00 55.01 H new ATOM 0 HB3 TYR A 6 0.605 -8.082 7.036 1.00 55.01 H new ATOM 0 HD1 TYR A 6 0.860 -10.139 8.576 1.00 23.22 H new ATOM 0 HD2 TYR A 6 3.908 -7.222 8.093 1.00 10.22 H new ATOM 0 HE1 TYR A 6 1.880 -10.853 10.679 1.00 52.45 H new ATOM 0 HE2 TYR A 6 4.928 -7.940 10.198 1.00 54.34 H new ATOM 0 HH TYR A 6 4.981 -10.018 11.608 1.00 4.04 H new ATOM 96 N TYR A 7 0.283 -8.857 4.065 1.00 55.13 N ATOM 97 CA TYR A 7 -0.297 -8.297 2.877 1.00 24.42 C ATOM 98 C TYR A 7 -1.771 -8.014 3.144 1.00 22.14 C ATOM 99 O TYR A 7 -2.434 -8.778 3.860 1.00 74.23 O ATOM 100 CB TYR A 7 -0.033 -9.267 1.692 1.00 4.53 C ATOM 101 CG TYR A 7 -1.190 -9.522 0.754 1.00 74.14 C ATOM 102 CD1 TYR A 7 -2.085 -10.542 1.023 1.00 22.54 C ATOM 103 CD2 TYR A 7 -1.372 -8.761 -0.391 1.00 74.43 C ATOM 104 CE1 TYR A 7 -3.145 -10.796 0.176 1.00 61.14 C ATOM 105 CE2 TYR A 7 -2.425 -9.011 -1.246 1.00 2.11 C ATOM 106 CZ TYR A 7 -3.309 -10.027 -0.960 1.00 0.02 C ATOM 107 OH TYR A 7 -4.353 -10.277 -1.816 1.00 25.12 O ATOM 0 H TYR A 7 -0.323 -9.507 4.565 1.00 55.13 H new ATOM 0 HA TYR A 7 0.155 -7.344 2.601 1.00 24.42 H new ATOM 0 HB2 TYR A 7 0.798 -8.872 1.108 1.00 4.53 H new ATOM 0 HB3 TYR A 7 0.291 -10.224 2.101 1.00 4.53 H new ATOM 0 HD1 TYR A 7 -1.953 -11.148 1.907 1.00 22.54 H new ATOM 0 HD2 TYR A 7 -0.680 -7.963 -0.616 1.00 74.43 H new ATOM 0 HE1 TYR A 7 -3.841 -11.591 0.400 1.00 61.14 H new ATOM 0 HE2 TYR A 7 -2.555 -8.413 -2.136 1.00 2.11 H new ATOM 0 HH TYR A 7 -5.201 -10.175 -1.336 1.00 25.12 H new ATOM 117 N ALA A 8 -2.267 -6.909 2.615 1.00 41.21 N ATOM 118 CA ALA A 8 -3.678 -6.603 2.683 1.00 24.12 C ATOM 119 C ALA A 8 -4.133 -6.011 1.376 1.00 64.24 C ATOM 120 O ALA A 8 -3.420 -5.210 0.783 1.00 54.42 O ATOM 121 CB ALA A 8 -3.957 -5.643 3.814 1.00 72.42 C ATOM 0 H ALA A 8 -1.706 -6.207 2.132 1.00 41.21 H new ATOM 0 HA ALA A 8 -4.229 -7.524 2.870 1.00 24.12 H new ATOM 0 HB1 ALA A 8 -5.024 -5.424 3.850 1.00 72.42 H new ATOM 0 HB2 ALA A 8 -3.647 -6.092 4.757 1.00 72.42 H new ATOM 0 HB3 ALA A 8 -3.402 -4.719 3.652 1.00 72.42 H new ATOM 127 N GLU A 9 -5.320 -6.385 0.943 1.00 41.23 N ATOM 128 CA GLU A 9 -5.861 -5.880 -0.301 1.00 2.01 C ATOM 129 C GLU A 9 -7.068 -4.998 0.000 1.00 52.31 C ATOM 130 O GLU A 9 -7.793 -5.229 0.982 1.00 22.22 O ATOM 131 CB GLU A 9 -6.219 -7.046 -1.240 1.00 45.51 C ATOM 132 CG GLU A 9 -7.441 -7.850 -0.826 1.00 4.30 C ATOM 133 CD GLU A 9 -7.620 -9.115 -1.627 1.00 73.21 C ATOM 134 OE1 GLU A 9 -8.240 -9.059 -2.704 1.00 14.34 O ATOM 135 OE2 GLU A 9 -7.159 -10.180 -1.168 1.00 60.20 O ATOM 0 H GLU A 9 -5.929 -7.038 1.436 1.00 41.23 H new ATOM 0 HA GLU A 9 -5.114 -5.274 -0.814 1.00 2.01 H new ATOM 0 HB2 GLU A 9 -6.386 -6.649 -2.241 1.00 45.51 H new ATOM 0 HB3 GLU A 9 -5.364 -7.719 -1.302 1.00 45.51 H new ATOM 0 HG2 GLU A 9 -7.359 -8.105 0.230 1.00 4.30 H new ATOM 0 HG3 GLU A 9 -8.330 -7.229 -0.936 1.00 4.30 H new ATOM 142 N ALA A 10 -7.237 -3.960 -0.809 1.00 24.14 N ATOM 143 CA ALA A 10 -8.279 -2.954 -0.609 1.00 53.01 C ATOM 144 C ALA A 10 -9.691 -3.529 -0.775 1.00 35.01 C ATOM 145 O ALA A 10 -9.891 -4.592 -1.365 1.00 73.24 O ATOM 146 CB ALA A 10 -8.059 -1.789 -1.563 1.00 71.40 C ATOM 0 H ALA A 10 -6.653 -3.789 -1.628 1.00 24.14 H new ATOM 0 HA ALA A 10 -8.204 -2.603 0.420 1.00 53.01 H new ATOM 0 HB1 ALA A 10 -8.838 -1.042 -1.410 1.00 71.40 H new ATOM 0 HB2 ALA A 10 -7.084 -1.341 -1.372 1.00 71.40 H new ATOM 0 HB3 ALA A 10 -8.098 -2.149 -2.591 1.00 71.40 H new ATOM 152 N ASP A 11 -10.666 -2.806 -0.248 1.00 73.10 N ATOM 153 CA ASP A 11 -12.067 -3.224 -0.320 1.00 35.41 C ATOM 154 C ASP A 11 -12.685 -2.778 -1.653 1.00 1.32 C ATOM 155 O ASP A 11 -13.630 -3.392 -2.158 1.00 61.35 O ATOM 156 CB ASP A 11 -12.842 -2.641 0.874 1.00 51.30 C ATOM 157 CG ASP A 11 -14.276 -3.133 0.965 1.00 53.14 C ATOM 158 OD1 ASP A 11 -14.486 -4.332 1.229 1.00 1.14 O ATOM 159 OD2 ASP A 11 -15.197 -2.315 0.789 1.00 10.24 O ATOM 0 H ASP A 11 -10.517 -1.922 0.238 1.00 73.10 H new ATOM 0 HA ASP A 11 -12.125 -4.311 -0.271 1.00 35.41 H new ATOM 0 HB2 ASP A 11 -12.319 -2.897 1.796 1.00 51.30 H new ATOM 0 HB3 ASP A 11 -12.844 -1.554 0.800 1.00 51.30 H new ATOM 164 N ASP A 12 -12.106 -1.737 -2.233 1.00 51.21 N ATOM 165 CA ASP A 12 -12.593 -1.159 -3.471 1.00 34.10 C ATOM 166 C ASP A 12 -11.461 -1.148 -4.513 1.00 55.34 C ATOM 167 O ASP A 12 -10.282 -1.213 -4.156 1.00 73.13 O ATOM 168 CB ASP A 12 -13.095 0.266 -3.183 1.00 31.42 C ATOM 169 CG ASP A 12 -13.917 0.870 -4.304 1.00 50.12 C ATOM 170 OD1 ASP A 12 -14.816 0.186 -4.826 1.00 24.11 O ATOM 171 OD2 ASP A 12 -13.668 2.038 -4.654 1.00 41.11 O ATOM 0 H ASP A 12 -11.282 -1.270 -1.855 1.00 51.21 H new ATOM 0 HA ASP A 12 -13.416 -1.750 -3.873 1.00 34.10 H new ATOM 0 HB2 ASP A 12 -13.696 0.251 -2.273 1.00 31.42 H new ATOM 0 HB3 ASP A 12 -12.237 0.910 -2.988 1.00 31.42 H new ATOM 176 N PHE A 13 -11.818 -1.096 -5.793 1.00 5.11 N ATOM 177 CA PHE A 13 -10.838 -0.942 -6.873 1.00 43.35 C ATOM 178 C PHE A 13 -10.744 0.527 -7.264 1.00 41.31 C ATOM 179 O PHE A 13 -11.626 1.319 -6.924 1.00 3.21 O ATOM 180 CB PHE A 13 -11.247 -1.758 -8.110 1.00 54.42 C ATOM 181 CG PHE A 13 -11.143 -3.252 -7.955 1.00 74.34 C ATOM 182 CD1 PHE A 13 -9.966 -3.912 -8.266 1.00 71.44 C ATOM 183 CD2 PHE A 13 -12.228 -3.999 -7.520 1.00 23.42 C ATOM 184 CE1 PHE A 13 -9.869 -5.285 -8.141 1.00 41.21 C ATOM 185 CE2 PHE A 13 -12.136 -5.371 -7.390 1.00 25.42 C ATOM 186 CZ PHE A 13 -10.956 -6.014 -7.705 1.00 74.43 C ATOM 0 H PHE A 13 -12.785 -1.158 -6.113 1.00 5.11 H new ATOM 0 HA PHE A 13 -9.875 -1.305 -6.514 1.00 43.35 H new ATOM 0 HB2 PHE A 13 -12.276 -1.506 -8.368 1.00 54.42 H new ATOM 0 HB3 PHE A 13 -10.624 -1.452 -8.950 1.00 54.42 H new ATOM 0 HD1 PHE A 13 -9.113 -3.347 -8.611 1.00 71.44 H new ATOM 0 HD2 PHE A 13 -13.156 -3.502 -7.280 1.00 23.42 H new ATOM 0 HE1 PHE A 13 -8.944 -5.786 -8.384 1.00 41.21 H new ATOM 0 HE2 PHE A 13 -12.986 -5.940 -7.042 1.00 25.42 H new ATOM 0 HZ PHE A 13 -10.884 -7.087 -7.610 1.00 74.43 H new ATOM 196 N ASP A 14 -9.687 0.901 -7.983 1.00 3.14 N ATOM 197 CA ASP A 14 -9.610 2.230 -8.577 1.00 12.11 C ATOM 198 C ASP A 14 -10.370 2.206 -9.916 1.00 71.44 C ATOM 199 O ASP A 14 -10.839 1.139 -10.343 1.00 24.45 O ATOM 200 CB ASP A 14 -8.125 2.698 -8.714 1.00 40.43 C ATOM 201 CG ASP A 14 -7.539 2.633 -10.123 1.00 4.11 C ATOM 202 OD1 ASP A 14 -7.212 1.537 -10.587 1.00 33.15 O ATOM 203 OD2 ASP A 14 -7.442 3.696 -10.777 1.00 22.23 O ATOM 0 H ASP A 14 -8.879 0.306 -8.166 1.00 3.14 H new ATOM 0 HA ASP A 14 -10.085 2.968 -7.931 1.00 12.11 H new ATOM 0 HB2 ASP A 14 -8.052 3.725 -8.357 1.00 40.43 H new ATOM 0 HB3 ASP A 14 -7.508 2.087 -8.055 1.00 40.43 H new ATOM 208 N GLU A 15 -10.506 3.372 -10.548 1.00 74.43 N ATOM 209 CA GLU A 15 -11.222 3.512 -11.820 1.00 33.15 C ATOM 210 C GLU A 15 -10.633 2.638 -12.925 1.00 22.21 C ATOM 211 O GLU A 15 -11.379 1.993 -13.650 1.00 72.21 O ATOM 212 CB GLU A 15 -11.238 4.973 -12.260 1.00 14.32 C ATOM 213 CG GLU A 15 -11.976 5.875 -11.290 1.00 55.11 C ATOM 214 CD GLU A 15 -11.993 7.314 -11.739 1.00 52.24 C ATOM 215 OE1 GLU A 15 -12.875 7.680 -12.535 1.00 25.41 O ATOM 216 OE2 GLU A 15 -11.126 8.084 -11.293 1.00 4.11 O ATOM 0 H GLU A 15 -10.123 4.248 -10.193 1.00 74.43 H new ATOM 0 HA GLU A 15 -12.243 3.170 -11.649 1.00 33.15 H new ATOM 0 HB2 GLU A 15 -10.212 5.326 -12.367 1.00 14.32 H new ATOM 0 HB3 GLU A 15 -11.705 5.046 -13.242 1.00 14.32 H new ATOM 0 HG2 GLU A 15 -13.001 5.521 -11.177 1.00 55.11 H new ATOM 0 HG3 GLU A 15 -11.506 5.809 -10.309 1.00 55.11 H new ATOM 223 N SER A 16 -9.305 2.552 -12.994 1.00 51.05 N ATOM 224 CA SER A 16 -8.625 1.785 -14.040 1.00 65.42 C ATOM 225 C SER A 16 -8.535 0.281 -13.718 1.00 42.43 C ATOM 226 O SER A 16 -8.012 -0.497 -14.525 1.00 41.31 O ATOM 227 CB SER A 16 -7.231 2.350 -14.256 1.00 64.42 C ATOM 228 OG SER A 16 -7.292 3.740 -14.530 1.00 43.22 O ATOM 0 H SER A 16 -8.674 3.007 -12.334 1.00 51.05 H new ATOM 0 HA SER A 16 -9.220 1.879 -14.949 1.00 65.42 H new ATOM 0 HB2 SER A 16 -6.621 2.175 -13.370 1.00 64.42 H new ATOM 0 HB3 SER A 16 -6.747 1.832 -15.084 1.00 64.42 H new ATOM 0 HG SER A 16 -7.543 3.878 -15.467 1.00 43.22 H new ATOM 234 N GLY A 17 -9.047 -0.114 -12.550 1.00 21.45 N ATOM 235 CA GLY A 17 -9.181 -1.520 -12.216 1.00 43.15 C ATOM 236 C GLY A 17 -7.980 -2.081 -11.489 1.00 1.40 C ATOM 237 O GLY A 17 -7.502 -3.168 -11.821 1.00 61.13 O ATOM 0 H GLY A 17 -9.373 0.525 -11.825 1.00 21.45 H new ATOM 0 HA2 GLY A 17 -10.068 -1.656 -11.597 1.00 43.15 H new ATOM 0 HA3 GLY A 17 -9.341 -2.090 -13.131 1.00 43.15 H new ATOM 241 N TRP A 18 -7.472 -1.334 -10.520 1.00 62.13 N ATOM 242 CA TRP A 18 -6.365 -1.788 -9.693 1.00 64.31 C ATOM 243 C TRP A 18 -6.713 -1.672 -8.217 1.00 53.35 C ATOM 244 O TRP A 18 -7.135 -0.621 -7.730 1.00 0.51 O ATOM 245 CB TRP A 18 -5.078 -1.012 -10.013 1.00 40.22 C ATOM 246 CG TRP A 18 -4.501 -1.335 -11.363 1.00 31.22 C ATOM 247 CD1 TRP A 18 -4.650 -0.620 -12.517 1.00 22.11 C ATOM 248 CD2 TRP A 18 -3.701 -2.475 -11.699 1.00 12.20 C ATOM 249 NE1 TRP A 18 -3.988 -1.246 -13.547 1.00 13.41 N ATOM 250 CE2 TRP A 18 -3.393 -2.382 -13.066 1.00 75.21 C ATOM 251 CE3 TRP A 18 -3.209 -3.561 -10.978 1.00 35.12 C ATOM 252 CZ2 TRP A 18 -2.620 -3.338 -13.721 1.00 11.45 C ATOM 253 CZ3 TRP A 18 -2.444 -4.502 -11.626 1.00 51.31 C ATOM 254 CH2 TRP A 18 -2.153 -4.385 -12.984 1.00 62.50 C ATOM 0 H TRP A 18 -7.813 -0.402 -10.286 1.00 62.13 H new ATOM 0 HA TRP A 18 -6.186 -2.839 -9.921 1.00 64.31 H new ATOM 0 HB2 TRP A 18 -5.286 0.057 -9.962 1.00 40.22 H new ATOM 0 HB3 TRP A 18 -4.333 -1.229 -9.247 1.00 40.22 H new ATOM 0 HD1 TRP A 18 -5.206 0.301 -12.607 1.00 22.11 H new ATOM 0 HE1 TRP A 18 -3.947 -0.918 -14.512 1.00 13.41 H new ATOM 0 HE3 TRP A 18 -3.426 -3.662 -9.925 1.00 35.12 H new ATOM 0 HZ2 TRP A 18 -2.399 -3.253 -14.775 1.00 11.45 H new ATOM 0 HZ3 TRP A 18 -2.062 -5.347 -11.073 1.00 51.31 H new ATOM 0 HH2 TRP A 18 -1.545 -5.139 -13.462 1.00 62.50 H new ATOM 265 N LYS A 19 -6.571 -2.785 -7.524 1.00 65.23 N ATOM 266 CA LYS A 19 -6.786 -2.858 -6.099 1.00 22.21 C ATOM 267 C LYS A 19 -5.458 -2.663 -5.393 1.00 63.45 C ATOM 268 O LYS A 19 -4.532 -3.444 -5.592 1.00 64.15 O ATOM 269 CB LYS A 19 -7.395 -4.214 -5.726 1.00 13.43 C ATOM 270 CG LYS A 19 -7.707 -4.362 -4.255 1.00 61.02 C ATOM 271 CD LYS A 19 -8.228 -5.744 -3.918 1.00 25.31 C ATOM 272 CE LYS A 19 -9.658 -5.940 -4.378 1.00 61.23 C ATOM 273 NZ LYS A 19 -10.224 -7.215 -3.882 1.00 13.41 N ATOM 0 H LYS A 19 -6.299 -3.674 -7.944 1.00 65.23 H new ATOM 0 HA LYS A 19 -7.481 -2.077 -5.790 1.00 22.21 H new ATOM 0 HB2 LYS A 19 -8.311 -4.359 -6.298 1.00 13.43 H new ATOM 0 HB3 LYS A 19 -6.706 -5.005 -6.022 1.00 13.43 H new ATOM 0 HG2 LYS A 19 -6.808 -4.162 -3.672 1.00 61.02 H new ATOM 0 HG3 LYS A 19 -8.447 -3.616 -3.965 1.00 61.02 H new ATOM 0 HD2 LYS A 19 -7.591 -6.495 -4.385 1.00 25.31 H new ATOM 0 HD3 LYS A 19 -8.169 -5.901 -2.841 1.00 25.31 H new ATOM 0 HE2 LYS A 19 -10.270 -5.109 -4.027 1.00 61.23 H new ATOM 0 HE3 LYS A 19 -9.695 -5.925 -5.467 1.00 61.23 H new ATOM 0 HZ1 LYS A 19 -10.669 -7.727 -4.670 1.00 13.41 H new ATOM 0 HZ2 LYS A 19 -9.464 -7.798 -3.476 1.00 13.41 H new ATOM 0 HZ3 LYS A 19 -10.937 -7.017 -3.151 1.00 13.41 H new ATOM 287 N ASP A 20 -5.377 -1.616 -4.589 1.00 24.32 N ATOM 288 CA ASP A 20 -4.157 -1.283 -3.859 1.00 61.34 C ATOM 289 C ASP A 20 -3.881 -2.318 -2.785 1.00 44.12 C ATOM 290 O ASP A 20 -4.761 -2.633 -1.980 1.00 4.12 O ATOM 291 CB ASP A 20 -4.305 0.079 -3.181 1.00 11.23 C ATOM 292 CG ASP A 20 -4.532 1.225 -4.142 1.00 10.44 C ATOM 293 OD1 ASP A 20 -5.649 1.337 -4.691 1.00 50.55 O ATOM 294 OD2 ASP A 20 -3.618 2.042 -4.308 1.00 21.24 O ATOM 0 H ASP A 20 -6.150 -0.972 -4.422 1.00 24.32 H new ATOM 0 HA ASP A 20 -3.334 -1.262 -4.574 1.00 61.34 H new ATOM 0 HB2 ASP A 20 -5.139 0.036 -2.480 1.00 11.23 H new ATOM 0 HB3 ASP A 20 -3.408 0.281 -2.596 1.00 11.23 H new ATOM 299 N THR A 21 -2.672 -2.860 -2.773 1.00 12.51 N ATOM 300 CA THR A 21 -2.287 -3.789 -1.725 1.00 23.01 C ATOM 301 C THR A 21 -1.009 -3.296 -1.063 1.00 11.51 C ATOM 302 O THR A 21 -0.114 -2.754 -1.729 1.00 22.43 O ATOM 303 CB THR A 21 -2.105 -5.271 -2.205 1.00 34.14 C ATOM 304 OG1 THR A 21 -0.876 -5.445 -2.892 1.00 4.13 O ATOM 305 CG2 THR A 21 -3.234 -5.720 -3.119 1.00 63.33 C ATOM 0 H THR A 21 -1.950 -2.675 -3.469 1.00 12.51 H new ATOM 0 HA THR A 21 -3.114 -3.811 -1.016 1.00 23.01 H new ATOM 0 HB THR A 21 -2.114 -5.882 -1.302 1.00 34.14 H new ATOM 0 HG1 THR A 21 -0.972 -6.156 -3.560 1.00 4.13 H new ATOM 0 HG21 THR A 21 -3.065 -6.752 -3.426 1.00 63.33 H new ATOM 0 HG22 THR A 21 -4.183 -5.650 -2.587 1.00 63.33 H new ATOM 0 HG23 THR A 21 -3.265 -5.080 -4.001 1.00 63.33 H new ATOM 313 N VAL A 22 -0.938 -3.461 0.247 1.00 51.24 N ATOM 314 CA VAL A 22 0.200 -3.005 1.021 1.00 15.53 C ATOM 315 C VAL A 22 0.885 -4.208 1.661 1.00 12.13 C ATOM 316 O VAL A 22 0.297 -4.916 2.483 1.00 63.40 O ATOM 317 CB VAL A 22 -0.217 -1.958 2.100 1.00 25.42 C ATOM 318 CG1 VAL A 22 0.967 -1.544 2.957 1.00 33.23 C ATOM 319 CG2 VAL A 22 -0.829 -0.722 1.449 1.00 53.43 C ATOM 0 H VAL A 22 -1.666 -3.913 0.801 1.00 51.24 H new ATOM 0 HA VAL A 22 0.899 -2.504 0.352 1.00 15.53 H new ATOM 0 HB VAL A 22 -0.961 -2.433 2.739 1.00 25.42 H new ATOM 0 HG11 VAL A 22 0.642 -0.814 3.698 1.00 33.23 H new ATOM 0 HG12 VAL A 22 1.373 -2.419 3.464 1.00 33.23 H new ATOM 0 HG13 VAL A 22 1.737 -1.101 2.325 1.00 33.23 H new ATOM 0 HG21 VAL A 22 -1.112 -0.006 2.221 1.00 53.43 H new ATOM 0 HG22 VAL A 22 -0.100 -0.265 0.780 1.00 53.43 H new ATOM 0 HG23 VAL A 22 -1.713 -1.010 0.880 1.00 53.43 H new ATOM 329 N THR A 23 2.116 -4.445 1.238 1.00 1.51 N ATOM 330 CA THR A 23 2.899 -5.559 1.726 1.00 13.42 C ATOM 331 C THR A 23 3.912 -5.062 2.760 1.00 0.13 C ATOM 332 O THR A 23 4.725 -4.204 2.475 1.00 4.14 O ATOM 333 CB THR A 23 3.616 -6.269 0.557 1.00 75.21 C ATOM 334 OG1 THR A 23 2.690 -6.506 -0.514 1.00 45.11 O ATOM 335 CG2 THR A 23 4.214 -7.590 0.998 1.00 21.41 C ATOM 0 H THR A 23 2.597 -3.869 0.547 1.00 1.51 H new ATOM 0 HA THR A 23 2.235 -6.280 2.202 1.00 13.42 H new ATOM 0 HB THR A 23 4.422 -5.619 0.217 1.00 75.21 H new ATOM 0 HG1 THR A 23 3.152 -6.955 -1.253 1.00 45.11 H new ATOM 0 HG21 THR A 23 4.711 -8.065 0.152 1.00 21.41 H new ATOM 0 HG22 THR A 23 4.939 -7.414 1.793 1.00 21.41 H new ATOM 0 HG23 THR A 23 3.423 -8.243 1.366 1.00 21.41 H new ATOM 343 N ILE A 24 3.834 -5.589 3.966 1.00 52.14 N ATOM 344 CA ILE A 24 4.682 -5.160 5.065 1.00 64.02 C ATOM 345 C ILE A 24 5.679 -6.258 5.420 1.00 4.33 C ATOM 346 O ILE A 24 5.289 -7.356 5.801 1.00 70.41 O ATOM 347 CB ILE A 24 3.831 -4.795 6.315 1.00 45.23 C ATOM 348 CG1 ILE A 24 2.802 -3.698 5.972 1.00 34.43 C ATOM 349 CG2 ILE A 24 4.712 -4.365 7.491 1.00 22.50 C ATOM 350 CD1 ILE A 24 3.402 -2.338 5.644 1.00 32.20 C ATOM 0 H ILE A 24 3.178 -6.330 4.214 1.00 52.14 H new ATOM 0 HA ILE A 24 5.225 -4.271 4.746 1.00 64.02 H new ATOM 0 HB ILE A 24 3.292 -5.692 6.620 1.00 45.23 H new ATOM 0 HG12 ILE A 24 2.207 -4.031 5.122 1.00 34.43 H new ATOM 0 HG13 ILE A 24 2.119 -3.584 6.814 1.00 34.43 H new ATOM 0 HG21 ILE A 24 4.083 -4.118 8.346 1.00 22.50 H new ATOM 0 HG22 ILE A 24 5.384 -5.180 7.759 1.00 22.50 H new ATOM 0 HG23 ILE A 24 5.297 -3.491 7.207 1.00 22.50 H new ATOM 0 HD11 ILE A 24 2.603 -1.633 5.416 1.00 32.20 H new ATOM 0 HD12 ILE A 24 3.972 -1.976 6.499 1.00 32.20 H new ATOM 0 HD13 ILE A 24 4.061 -2.430 4.781 1.00 32.20 H new ATOM 362 N GLU A 25 6.961 -5.967 5.281 1.00 44.32 N ATOM 363 CA GLU A 25 7.992 -6.911 5.670 1.00 33.54 C ATOM 364 C GLU A 25 8.525 -6.576 7.060 1.00 42.03 C ATOM 365 O GLU A 25 9.121 -5.522 7.286 1.00 15.32 O ATOM 366 CB GLU A 25 9.123 -6.954 4.637 1.00 24.51 C ATOM 367 CG GLU A 25 10.297 -7.837 5.044 1.00 63.01 C ATOM 368 CD GLU A 25 11.309 -8.007 3.945 1.00 65.31 C ATOM 369 OE1 GLU A 25 10.981 -8.659 2.937 1.00 4.52 O ATOM 370 OE2 GLU A 25 12.439 -7.502 4.088 1.00 34.55 O ATOM 0 H GLU A 25 7.311 -5.087 4.903 1.00 44.32 H new ATOM 0 HA GLU A 25 7.547 -7.905 5.707 1.00 33.54 H new ATOM 0 HB2 GLU A 25 8.723 -7.313 3.689 1.00 24.51 H new ATOM 0 HB3 GLU A 25 9.485 -5.940 4.467 1.00 24.51 H new ATOM 0 HG2 GLU A 25 10.785 -7.404 5.917 1.00 63.01 H new ATOM 0 HG3 GLU A 25 9.923 -8.817 5.341 1.00 63.01 H new ATOM 377 N VAL A 26 8.263 -7.480 7.986 1.00 31.33 N ATOM 378 CA VAL A 26 8.781 -7.393 9.335 1.00 41.25 C ATOM 379 C VAL A 26 9.852 -8.462 9.514 1.00 14.23 C ATOM 380 O VAL A 26 9.675 -9.607 9.099 1.00 71.33 O ATOM 381 CB VAL A 26 7.633 -7.539 10.380 1.00 43.20 C ATOM 382 CG1 VAL A 26 8.136 -7.677 11.802 1.00 34.14 C ATOM 383 CG2 VAL A 26 6.705 -6.342 10.295 1.00 13.34 C ATOM 0 H VAL A 26 7.680 -8.300 7.820 1.00 31.33 H new ATOM 0 HA VAL A 26 9.229 -6.413 9.500 1.00 41.25 H new ATOM 0 HB VAL A 26 7.103 -8.459 10.133 1.00 43.20 H new ATOM 0 HG11 VAL A 26 7.288 -7.775 12.480 1.00 34.14 H new ATOM 0 HG12 VAL A 26 8.767 -8.562 11.880 1.00 34.14 H new ATOM 0 HG13 VAL A 26 8.715 -6.793 12.070 1.00 34.14 H new ATOM 0 HG21 VAL A 26 5.905 -6.449 11.027 1.00 13.34 H new ATOM 0 HG22 VAL A 26 7.266 -5.431 10.502 1.00 13.34 H new ATOM 0 HG23 VAL A 26 6.276 -6.285 9.295 1.00 13.34 H new ATOM 393 N LYS A 27 10.971 -8.071 10.091 1.00 35.13 N ATOM 394 CA LYS A 27 12.063 -8.984 10.322 1.00 41.33 C ATOM 395 C LYS A 27 12.532 -8.838 11.755 1.00 24.24 C ATOM 396 O LYS A 27 12.709 -7.711 12.236 1.00 23.34 O ATOM 397 CB LYS A 27 13.187 -8.714 9.328 1.00 1.40 C ATOM 398 CG LYS A 27 14.329 -9.704 9.379 1.00 1.11 C ATOM 399 CD LYS A 27 15.247 -9.512 8.187 1.00 74.25 C ATOM 400 CE LYS A 27 16.216 -10.670 8.032 1.00 11.52 C ATOM 401 NZ LYS A 27 15.509 -11.968 7.889 1.00 55.21 N ATOM 0 H LYS A 27 11.144 -7.118 10.409 1.00 35.13 H new ATOM 0 HA LYS A 27 11.735 -10.012 10.170 1.00 41.33 H new ATOM 0 HB2 LYS A 27 12.770 -8.713 8.321 1.00 1.40 H new ATOM 0 HB3 LYS A 27 13.582 -7.715 9.510 1.00 1.40 H new ATOM 0 HG2 LYS A 27 14.891 -9.574 10.304 1.00 1.11 H new ATOM 0 HG3 LYS A 27 13.937 -10.721 9.385 1.00 1.11 H new ATOM 0 HD2 LYS A 27 14.650 -9.413 7.280 1.00 74.25 H new ATOM 0 HD3 LYS A 27 15.806 -8.583 8.304 1.00 74.25 H new ATOM 0 HE2 LYS A 27 16.846 -10.502 7.159 1.00 11.52 H new ATOM 0 HE3 LYS A 27 16.876 -10.710 8.899 1.00 11.52 H new ATOM 0 HZ1 LYS A 27 16.124 -12.646 7.396 1.00 55.21 H new ATOM 0 HZ2 LYS A 27 15.270 -12.339 8.831 1.00 55.21 H new ATOM 0 HZ3 LYS A 27 14.637 -11.829 7.340 1.00 55.21 H new ATOM 415 N ASN A 28 12.684 -10.004 12.418 1.00 71.44 N ATOM 416 CA ASN A 28 12.990 -10.168 13.856 1.00 53.24 C ATOM 417 C ASN A 28 11.753 -9.905 14.704 1.00 54.31 C ATOM 418 O ASN A 28 11.279 -10.781 15.430 1.00 3.23 O ATOM 419 CB ASN A 28 14.188 -9.322 14.338 1.00 51.22 C ATOM 420 CG ASN A 28 15.503 -9.717 13.690 1.00 54.43 C ATOM 421 OD1 ASN A 28 16.178 -10.635 14.139 1.00 41.14 O ATOM 422 ND2 ASN A 28 15.895 -9.006 12.648 1.00 13.30 N ATOM 0 H ASN A 28 12.592 -10.901 11.942 1.00 71.44 H new ATOM 0 HA ASN A 28 13.294 -11.207 13.985 1.00 53.24 H new ATOM 0 HB2 ASN A 28 13.989 -8.271 14.128 1.00 51.22 H new ATOM 0 HB3 ASN A 28 14.281 -9.419 15.420 1.00 51.22 H new ATOM 0 HD21 ASN A 28 16.784 -9.215 12.193 1.00 13.30 H new ATOM 0 HD22 ASN A 28 15.309 -8.248 12.299 1.00 13.30 H new ATOM 429 N GLY A 29 11.239 -8.704 14.581 1.00 53.13 N ATOM 430 CA GLY A 29 10.041 -8.301 15.273 1.00 71.33 C ATOM 431 C GLY A 29 9.622 -6.891 14.907 1.00 1.13 C ATOM 432 O GLY A 29 8.567 -6.429 15.341 1.00 32.22 O ATOM 0 H GLY A 29 11.644 -7.975 13.994 1.00 53.13 H new ATOM 0 HA2 GLY A 29 9.234 -8.993 15.034 1.00 71.33 H new ATOM 0 HA3 GLY A 29 10.205 -8.363 16.349 1.00 71.33 H new ATOM 436 N LYS A 30 10.428 -6.210 14.083 1.00 12.41 N ATOM 437 CA LYS A 30 10.132 -4.833 13.698 1.00 2.44 C ATOM 438 C LYS A 30 10.107 -4.684 12.170 1.00 65.50 C ATOM 439 O LYS A 30 10.699 -5.495 11.458 1.00 63.43 O ATOM 440 CB LYS A 30 11.144 -3.865 14.337 1.00 62.42 C ATOM 441 CG LYS A 30 12.547 -3.907 13.753 1.00 23.23 C ATOM 442 CD LYS A 30 13.405 -2.798 14.337 1.00 65.21 C ATOM 443 CE LYS A 30 14.752 -2.688 13.636 1.00 4.24 C ATOM 444 NZ LYS A 30 14.614 -2.301 12.208 1.00 33.52 N ATOM 0 H LYS A 30 11.282 -6.590 13.675 1.00 12.41 H new ATOM 0 HA LYS A 30 9.140 -4.578 14.070 1.00 2.44 H new ATOM 0 HB2 LYS A 30 10.760 -2.850 14.241 1.00 62.42 H new ATOM 0 HB3 LYS A 30 11.206 -4.083 15.403 1.00 62.42 H new ATOM 0 HG2 LYS A 30 13.004 -4.875 13.961 1.00 23.23 H new ATOM 0 HG3 LYS A 30 12.498 -3.803 12.669 1.00 23.23 H new ATOM 0 HD2 LYS A 30 12.875 -1.849 14.255 1.00 65.21 H new ATOM 0 HD3 LYS A 30 13.564 -2.984 15.399 1.00 65.21 H new ATOM 0 HE2 LYS A 30 15.369 -1.952 14.152 1.00 4.24 H new ATOM 0 HE3 LYS A 30 15.273 -3.643 13.703 1.00 4.24 H new ATOM 0 HZ1 LYS A 30 14.961 -3.073 11.604 1.00 33.52 H new ATOM 0 HZ2 LYS A 30 13.613 -2.116 11.993 1.00 33.52 H new ATOM 0 HZ3 LYS A 30 15.171 -1.442 12.026 1.00 33.52 H new ATOM 458 N ILE A 31 9.411 -3.653 11.676 1.00 2.31 N ATOM 459 CA ILE A 31 9.276 -3.424 10.232 1.00 43.50 C ATOM 460 C ILE A 31 10.614 -2.977 9.641 1.00 2.31 C ATOM 461 O ILE A 31 11.187 -1.969 10.055 1.00 62.52 O ATOM 462 CB ILE A 31 8.195 -2.354 9.903 1.00 62.22 C ATOM 463 CG1 ILE A 31 6.870 -2.674 10.611 1.00 22.12 C ATOM 464 CG2 ILE A 31 7.980 -2.258 8.392 1.00 73.03 C ATOM 465 CD1 ILE A 31 5.794 -1.616 10.449 1.00 64.35 C ATOM 0 H ILE A 31 8.932 -2.963 12.255 1.00 2.31 H new ATOM 0 HA ILE A 31 8.964 -4.370 9.789 1.00 43.50 H new ATOM 0 HB ILE A 31 8.552 -1.391 10.268 1.00 62.22 H new ATOM 0 HG12 ILE A 31 6.489 -3.622 10.230 1.00 22.12 H new ATOM 0 HG13 ILE A 31 7.066 -2.814 11.674 1.00 22.12 H new ATOM 0 HG21 ILE A 31 7.221 -1.505 8.180 1.00 73.03 H new ATOM 0 HG22 ILE A 31 8.915 -1.977 7.909 1.00 73.03 H new ATOM 0 HG23 ILE A 31 7.650 -3.224 8.009 1.00 73.03 H new ATOM 0 HD11 ILE A 31 4.895 -1.927 10.982 1.00 64.35 H new ATOM 0 HD12 ILE A 31 6.149 -0.670 10.858 1.00 64.35 H new ATOM 0 HD13 ILE A 31 5.564 -1.490 9.391 1.00 64.35 H new ATOM 477 N VAL A 32 11.116 -3.744 8.693 1.00 74.32 N ATOM 478 CA VAL A 32 12.360 -3.399 8.032 1.00 11.12 C ATOM 479 C VAL A 32 12.111 -2.897 6.613 1.00 41.22 C ATOM 480 O VAL A 32 12.903 -2.115 6.079 1.00 50.34 O ATOM 481 CB VAL A 32 13.375 -4.578 8.022 1.00 31.10 C ATOM 482 CG1 VAL A 32 13.810 -4.928 9.441 1.00 42.32 C ATOM 483 CG2 VAL A 32 12.804 -5.806 7.324 1.00 54.33 C ATOM 0 H VAL A 32 10.684 -4.607 8.364 1.00 74.32 H new ATOM 0 HA VAL A 32 12.806 -2.592 8.614 1.00 11.12 H new ATOM 0 HB VAL A 32 14.249 -4.251 7.458 1.00 31.10 H new ATOM 0 HG11 VAL A 32 14.520 -5.755 9.411 1.00 42.32 H new ATOM 0 HG12 VAL A 32 14.283 -4.060 9.901 1.00 42.32 H new ATOM 0 HG13 VAL A 32 12.939 -5.219 10.027 1.00 42.32 H new ATOM 0 HG21 VAL A 32 13.542 -6.608 7.337 1.00 54.33 H new ATOM 0 HG22 VAL A 32 11.903 -6.133 7.843 1.00 54.33 H new ATOM 0 HG23 VAL A 32 12.558 -5.556 6.292 1.00 54.33 H new ATOM 493 N SER A 33 10.988 -3.316 6.014 1.00 11.12 N ATOM 494 CA SER A 33 10.733 -3.061 4.603 1.00 11.32 C ATOM 495 C SER A 33 9.238 -2.938 4.336 1.00 33.31 C ATOM 496 O SER A 33 8.409 -3.313 5.166 1.00 62.41 O ATOM 497 CB SER A 33 11.281 -4.202 3.734 1.00 62.12 C ATOM 498 OG SER A 33 12.629 -4.521 4.039 1.00 24.13 O ATOM 0 H SER A 33 10.247 -3.831 6.490 1.00 11.12 H new ATOM 0 HA SER A 33 11.234 -2.127 4.349 1.00 11.32 H new ATOM 0 HB2 SER A 33 10.662 -5.088 3.872 1.00 62.12 H new ATOM 0 HB3 SER A 33 11.207 -3.921 2.683 1.00 62.12 H new ATOM 0 HG SER A 33 13.162 -4.511 3.216 1.00 24.13 H new ATOM 504 N VAL A 34 8.912 -2.423 3.162 1.00 51.25 N ATOM 505 CA VAL A 34 7.541 -2.377 2.667 1.00 13.13 C ATOM 506 C VAL A 34 7.564 -2.501 1.129 1.00 14.42 C ATOM 507 O VAL A 34 8.405 -1.912 0.443 1.00 53.02 O ATOM 508 CB VAL A 34 6.786 -1.103 3.181 1.00 0.51 C ATOM 509 CG1 VAL A 34 7.557 0.142 2.861 1.00 72.33 C ATOM 510 CG2 VAL A 34 5.367 -0.992 2.631 1.00 44.00 C ATOM 0 H VAL A 34 9.594 -2.021 2.519 1.00 51.25 H new ATOM 0 HA VAL A 34 6.972 -3.219 3.063 1.00 13.13 H new ATOM 0 HB VAL A 34 6.707 -1.212 4.263 1.00 0.51 H new ATOM 0 HG11 VAL A 34 7.012 1.012 3.228 1.00 72.33 H new ATOM 0 HG12 VAL A 34 8.535 0.098 3.340 1.00 72.33 H new ATOM 0 HG13 VAL A 34 7.685 0.223 1.782 1.00 72.33 H new ATOM 0 HG21 VAL A 34 4.895 -0.091 3.022 1.00 44.00 H new ATOM 0 HG22 VAL A 34 5.402 -0.941 1.543 1.00 44.00 H new ATOM 0 HG23 VAL A 34 4.790 -1.865 2.935 1.00 44.00 H new ATOM 520 N ASP A 35 6.668 -3.324 0.629 1.00 25.35 N ATOM 521 CA ASP A 35 6.667 -3.782 -0.750 1.00 33.14 C ATOM 522 C ASP A 35 5.338 -3.446 -1.434 1.00 52.23 C ATOM 523 O ASP A 35 4.288 -3.410 -0.789 1.00 41.12 O ATOM 524 CB ASP A 35 6.943 -5.295 -0.756 1.00 10.35 C ATOM 525 CG ASP A 35 7.109 -5.871 -2.142 1.00 10.11 C ATOM 526 OD1 ASP A 35 8.060 -5.465 -2.835 1.00 74.01 O ATOM 527 OD2 ASP A 35 6.300 -6.732 -2.527 1.00 14.22 O ATOM 0 H ASP A 35 5.899 -3.705 1.181 1.00 25.35 H new ATOM 0 HA ASP A 35 7.447 -3.272 -1.316 1.00 33.14 H new ATOM 0 HB2 ASP A 35 7.845 -5.494 -0.178 1.00 10.35 H new ATOM 0 HB3 ASP A 35 6.123 -5.808 -0.254 1.00 10.35 H new ATOM 532 N TRP A 36 5.397 -3.146 -2.726 1.00 12.31 N ATOM 533 CA TRP A 36 4.213 -2.744 -3.475 1.00 30.02 C ATOM 534 C TRP A 36 3.709 -3.869 -4.367 1.00 62.31 C ATOM 535 O TRP A 36 4.501 -4.646 -4.909 1.00 5.15 O ATOM 536 CB TRP A 36 4.507 -1.506 -4.332 1.00 50.54 C ATOM 537 CG TRP A 36 5.018 -0.325 -3.553 1.00 60.23 C ATOM 538 CD1 TRP A 36 6.160 0.384 -3.799 1.00 51.15 C ATOM 539 CD2 TRP A 36 4.415 0.275 -2.399 1.00 24.24 C ATOM 540 NE1 TRP A 36 6.297 1.388 -2.874 1.00 4.20 N ATOM 541 CE2 TRP A 36 5.242 1.339 -2.008 1.00 72.22 C ATOM 542 CE3 TRP A 36 3.257 0.016 -1.656 1.00 11.53 C ATOM 543 CZ2 TRP A 36 4.947 2.145 -0.918 1.00 22.15 C ATOM 544 CZ3 TRP A 36 2.970 0.819 -0.577 1.00 20.40 C ATOM 545 CH2 TRP A 36 3.815 1.870 -0.217 1.00 12.12 C ATOM 0 H TRP A 36 6.254 -3.174 -3.278 1.00 12.31 H new ATOM 0 HA TRP A 36 3.437 -2.504 -2.748 1.00 30.02 H new ATOM 0 HB2 TRP A 36 5.241 -1.771 -5.093 1.00 50.54 H new ATOM 0 HB3 TRP A 36 3.596 -1.215 -4.855 1.00 50.54 H new ATOM 0 HD1 TRP A 36 6.853 0.184 -4.603 1.00 51.15 H new ATOM 0 HE1 TRP A 36 7.062 2.061 -2.839 1.00 4.20 H new ATOM 0 HE3 TRP A 36 2.601 -0.799 -1.925 1.00 11.53 H new ATOM 0 HZ2 TRP A 36 5.594 2.962 -0.636 1.00 22.15 H new ATOM 0 HZ3 TRP A 36 2.077 0.633 0.001 1.00 20.40 H new ATOM 0 HH2 TRP A 36 3.564 2.479 0.639 1.00 12.12 H new ATOM 556 N ASN A 37 2.386 -3.934 -4.503 1.00 62.31 N ATOM 557 CA ASN A 37 1.695 -4.871 -5.399 1.00 15.54 C ATOM 558 C ASN A 37 0.270 -4.340 -5.618 1.00 21.33 C ATOM 559 O ASN A 37 -0.184 -3.471 -4.860 1.00 35.41 O ATOM 560 CB ASN A 37 1.699 -6.313 -4.804 1.00 12.12 C ATOM 561 CG ASN A 37 1.052 -7.377 -5.694 1.00 71.43 C ATOM 562 OD1 ASN A 37 -0.127 -7.707 -5.546 1.00 44.44 O ATOM 563 ND2 ASN A 37 1.814 -7.909 -6.632 1.00 41.03 N ATOM 0 H ASN A 37 1.749 -3.328 -3.986 1.00 62.31 H new ATOM 0 HA ASN A 37 2.209 -4.938 -6.358 1.00 15.54 H new ATOM 0 HB2 ASN A 37 2.730 -6.605 -4.603 1.00 12.12 H new ATOM 0 HB3 ASN A 37 1.180 -6.297 -3.846 1.00 12.12 H new ATOM 0 HD21 ASN A 37 1.431 -8.615 -7.261 1.00 41.03 H new ATOM 0 HD22 ASN A 37 2.786 -7.614 -6.728 1.00 41.03 H new ATOM 570 N ALA A 38 -0.422 -4.820 -6.652 1.00 72.22 N ATOM 571 CA ALA A 38 -1.797 -4.425 -6.923 1.00 32.43 C ATOM 572 C ALA A 38 -2.522 -5.543 -7.663 1.00 71.12 C ATOM 573 O ALA A 38 -1.894 -6.326 -8.366 1.00 21.33 O ATOM 574 CB ALA A 38 -1.842 -3.127 -7.723 1.00 73.32 C ATOM 0 H ALA A 38 -0.043 -5.491 -7.321 1.00 72.22 H new ATOM 0 HA ALA A 38 -2.303 -4.248 -5.974 1.00 32.43 H new ATOM 0 HB1 ALA A 38 -2.880 -2.853 -7.913 1.00 73.32 H new ATOM 0 HB2 ALA A 38 -1.355 -2.333 -7.157 1.00 73.32 H new ATOM 0 HB3 ALA A 38 -1.324 -3.266 -8.672 1.00 73.32 H new ATOM 580 N ILE A 39 -3.835 -5.625 -7.497 1.00 53.41 N ATOM 581 CA ILE A 39 -4.629 -6.680 -8.133 1.00 53.11 C ATOM 582 C ILE A 39 -5.461 -6.090 -9.261 1.00 25.14 C ATOM 583 O ILE A 39 -6.126 -5.081 -9.076 1.00 51.42 O ATOM 584 CB ILE A 39 -5.570 -7.382 -7.111 1.00 71.44 C ATOM 585 CG1 ILE A 39 -4.769 -7.843 -5.885 1.00 75.10 C ATOM 586 CG2 ILE A 39 -6.303 -8.566 -7.754 1.00 34.04 C ATOM 587 CD1 ILE A 39 -5.608 -8.488 -4.805 1.00 64.33 C ATOM 0 H ILE A 39 -4.378 -4.976 -6.928 1.00 53.41 H new ATOM 0 HA ILE A 39 -3.938 -7.424 -8.528 1.00 53.11 H new ATOM 0 HB ILE A 39 -6.322 -6.662 -6.789 1.00 71.44 H new ATOM 0 HG12 ILE A 39 -4.006 -8.551 -6.208 1.00 75.10 H new ATOM 0 HG13 ILE A 39 -4.248 -6.984 -5.461 1.00 75.10 H new ATOM 0 HG21 ILE A 39 -6.953 -9.036 -7.016 1.00 34.04 H new ATOM 0 HG22 ILE A 39 -6.903 -8.211 -8.592 1.00 34.04 H new ATOM 0 HG23 ILE A 39 -5.575 -9.294 -8.112 1.00 34.04 H new ATOM 0 HD11 ILE A 39 -4.967 -8.785 -3.975 1.00 64.33 H new ATOM 0 HD12 ILE A 39 -6.354 -7.777 -4.451 1.00 64.33 H new ATOM 0 HD13 ILE A 39 -6.108 -9.368 -5.210 1.00 64.33 H new ATOM 599 N ASN A 40 -5.427 -6.720 -10.421 1.00 55.11 N ATOM 600 CA ASN A 40 -6.218 -6.265 -11.553 1.00 53.41 C ATOM 601 C ASN A 40 -7.666 -6.752 -11.429 1.00 2.11 C ATOM 602 O ASN A 40 -7.921 -7.861 -10.956 1.00 41.24 O ATOM 603 CB ASN A 40 -5.590 -6.717 -12.875 1.00 12.14 C ATOM 604 CG ASN A 40 -6.151 -5.959 -14.069 1.00 60.33 C ATOM 605 OD1 ASN A 40 -7.070 -6.408 -14.736 1.00 44.52 O ATOM 606 ND2 ASN A 40 -5.619 -4.778 -14.316 1.00 73.34 N ATOM 0 H ASN A 40 -4.861 -7.548 -10.605 1.00 55.11 H new ATOM 0 HA ASN A 40 -6.229 -5.175 -11.549 1.00 53.41 H new ATOM 0 HB2 ASN A 40 -4.511 -6.573 -12.830 1.00 12.14 H new ATOM 0 HB3 ASN A 40 -5.763 -7.785 -13.011 1.00 12.14 H new ATOM 0 HD21 ASN A 40 -5.974 -4.209 -15.084 1.00 73.34 H new ATOM 0 HD22 ASN A 40 -4.852 -4.433 -13.739 1.00 73.34 H new ATOM 613 N LYS A 41 -8.600 -5.880 -11.823 1.00 13.01 N ATOM 614 CA LYS A 41 -10.050 -6.123 -11.747 1.00 64.12 C ATOM 615 C LYS A 41 -10.503 -7.330 -12.595 1.00 2.02 C ATOM 616 O LYS A 41 -11.524 -7.952 -12.295 1.00 50.52 O ATOM 617 CB LYS A 41 -10.778 -4.853 -12.190 1.00 22.43 C ATOM 618 CG LYS A 41 -12.275 -4.851 -11.939 1.00 34.54 C ATOM 619 CD LYS A 41 -12.916 -3.598 -12.498 1.00 61.23 C ATOM 620 CE LYS A 41 -14.418 -3.601 -12.296 1.00 62.51 C ATOM 621 NZ LYS A 41 -15.051 -2.381 -12.861 1.00 75.41 N ATOM 0 H LYS A 41 -8.368 -4.966 -12.212 1.00 13.01 H new ATOM 0 HA LYS A 41 -10.299 -6.370 -10.715 1.00 64.12 H new ATOM 0 HB2 LYS A 41 -10.337 -4.001 -11.673 1.00 22.43 H new ATOM 0 HB3 LYS A 41 -10.603 -4.705 -13.256 1.00 22.43 H new ATOM 0 HG2 LYS A 41 -12.726 -5.731 -12.398 1.00 34.54 H new ATOM 0 HG3 LYS A 41 -12.468 -4.916 -10.868 1.00 34.54 H new ATOM 0 HD2 LYS A 41 -12.485 -2.721 -12.014 1.00 61.23 H new ATOM 0 HD3 LYS A 41 -12.692 -3.517 -13.562 1.00 61.23 H new ATOM 0 HE2 LYS A 41 -14.847 -4.485 -12.768 1.00 62.51 H new ATOM 0 HE3 LYS A 41 -14.642 -3.667 -11.231 1.00 62.51 H new ATOM 0 HZ1 LYS A 41 -16.078 -2.418 -12.704 1.00 75.41 H new ATOM 0 HZ2 LYS A 41 -14.660 -1.539 -12.393 1.00 75.41 H new ATOM 0 HZ3 LYS A 41 -14.858 -2.331 -13.882 1.00 75.41 H new ATOM 635 N ASP A 42 -9.733 -7.651 -13.641 1.00 70.15 N ATOM 636 CA ASP A 42 -9.982 -8.824 -14.491 1.00 30.42 C ATOM 637 C ASP A 42 -9.892 -10.131 -13.682 1.00 64.52 C ATOM 638 O ASP A 42 -10.726 -11.023 -13.840 1.00 72.14 O ATOM 639 CB ASP A 42 -8.987 -8.822 -15.669 1.00 1.01 C ATOM 640 CG ASP A 42 -8.978 -10.104 -16.475 1.00 24.54 C ATOM 641 OD1 ASP A 42 -9.963 -10.376 -17.185 1.00 62.55 O ATOM 642 OD2 ASP A 42 -7.987 -10.856 -16.376 1.00 52.32 O ATOM 0 H ASP A 42 -8.919 -7.105 -13.923 1.00 70.15 H new ATOM 0 HA ASP A 42 -10.996 -8.766 -14.886 1.00 30.42 H new ATOM 0 HB2 ASP A 42 -9.227 -7.991 -16.332 1.00 1.01 H new ATOM 0 HB3 ASP A 42 -7.984 -8.642 -15.283 1.00 1.01 H new ATOM 647 N GLY A 43 -8.896 -10.220 -12.799 1.00 72.10 N ATOM 648 CA GLY A 43 -8.726 -11.404 -11.978 1.00 42.43 C ATOM 649 C GLY A 43 -7.788 -12.422 -12.593 1.00 35.10 C ATOM 650 O GLY A 43 -7.849 -13.607 -12.260 1.00 74.10 O ATOM 0 H GLY A 43 -8.203 -9.488 -12.640 1.00 72.10 H new ATOM 0 HA2 GLY A 43 -8.343 -11.110 -11.001 1.00 42.43 H new ATOM 0 HA3 GLY A 43 -9.699 -11.868 -11.813 1.00 42.43 H new ATOM 654 N GLY A 44 -6.921 -11.951 -13.484 1.00 63.11 N ATOM 655 CA GLY A 44 -5.936 -12.812 -14.102 1.00 53.24 C ATOM 656 C GLY A 44 -4.603 -12.725 -13.403 1.00 63.52 C ATOM 657 O GLY A 44 -4.301 -13.538 -12.529 1.00 2.13 O ATOM 0 H GLY A 44 -6.886 -10.978 -13.789 1.00 63.11 H new ATOM 0 HA2 GLY A 44 -6.290 -13.843 -14.083 1.00 53.24 H new ATOM 0 HA3 GLY A 44 -5.817 -12.535 -15.149 1.00 53.24 H new ATOM 661 N ASP A 45 -3.811 -11.733 -13.780 1.00 2.35 N ATOM 662 CA ASP A 45 -2.486 -11.541 -13.196 1.00 14.02 C ATOM 663 C ASP A 45 -2.438 -10.266 -12.384 1.00 11.52 C ATOM 664 O ASP A 45 -3.255 -9.362 -12.576 1.00 11.32 O ATOM 665 CB ASP A 45 -1.412 -11.489 -14.286 1.00 1.12 C ATOM 666 CG ASP A 45 -1.454 -12.676 -15.221 1.00 53.32 C ATOM 667 OD1 ASP A 45 -0.977 -13.760 -14.842 1.00 31.33 O ATOM 668 OD2 ASP A 45 -1.971 -12.528 -16.340 1.00 21.54 O ATOM 0 H ASP A 45 -4.061 -11.045 -14.490 1.00 2.35 H new ATOM 0 HA ASP A 45 -2.288 -12.390 -12.542 1.00 14.02 H new ATOM 0 HB2 ASP A 45 -1.536 -10.574 -14.865 1.00 1.12 H new ATOM 0 HB3 ASP A 45 -0.429 -11.439 -13.817 1.00 1.12 H new ATOM 673 N ASP A 46 -1.461 -10.197 -11.492 1.00 52.05 N ATOM 674 CA ASP A 46 -1.272 -9.034 -10.624 1.00 54.35 C ATOM 675 C ASP A 46 -0.436 -7.958 -11.310 1.00 32.13 C ATOM 676 O ASP A 46 -0.140 -8.060 -12.490 1.00 61.40 O ATOM 677 CB ASP A 46 -0.602 -9.420 -9.296 1.00 21.44 C ATOM 678 CG ASP A 46 0.574 -10.359 -9.435 1.00 1.44 C ATOM 679 OD1 ASP A 46 0.368 -11.583 -9.405 1.00 63.42 O ATOM 680 OD2 ASP A 46 1.714 -9.873 -9.559 1.00 62.22 O ATOM 0 H ASP A 46 -0.777 -10.940 -11.346 1.00 52.05 H new ATOM 0 HA ASP A 46 -2.266 -8.638 -10.416 1.00 54.35 H new ATOM 0 HB2 ASP A 46 -0.268 -8.511 -8.795 1.00 21.44 H new ATOM 0 HB3 ASP A 46 -1.347 -9.885 -8.650 1.00 21.44 H new ATOM 685 N LYS A 47 -0.099 -6.918 -10.537 1.00 1.22 N ATOM 686 CA LYS A 47 0.781 -5.820 -10.934 1.00 11.32 C ATOM 687 C LYS A 47 2.096 -6.310 -11.532 1.00 64.14 C ATOM 688 O LYS A 47 2.437 -5.954 -12.656 1.00 43.51 O ATOM 689 CB LYS A 47 1.066 -4.991 -9.681 1.00 4.22 C ATOM 690 CG LYS A 47 1.842 -3.718 -9.921 1.00 32.32 C ATOM 691 CD LYS A 47 0.972 -2.628 -10.506 1.00 12.11 C ATOM 692 CE LYS A 47 1.780 -1.370 -10.712 1.00 65.41 C ATOM 693 NZ LYS A 47 2.319 -0.829 -9.433 1.00 21.43 N ATOM 0 H LYS A 47 -0.446 -6.818 -9.583 1.00 1.22 H new ATOM 0 HA LYS A 47 0.287 -5.233 -11.708 1.00 11.32 H new ATOM 0 HB2 LYS A 47 0.117 -4.737 -9.208 1.00 4.22 H new ATOM 0 HB3 LYS A 47 1.619 -5.608 -8.973 1.00 4.22 H new ATOM 0 HG2 LYS A 47 2.273 -3.373 -8.981 1.00 32.32 H new ATOM 0 HG3 LYS A 47 2.673 -3.921 -10.597 1.00 32.32 H new ATOM 0 HD2 LYS A 47 0.552 -2.959 -11.456 1.00 12.11 H new ATOM 0 HD3 LYS A 47 0.133 -2.425 -9.840 1.00 12.11 H new ATOM 0 HE2 LYS A 47 2.606 -1.578 -11.392 1.00 65.41 H new ATOM 0 HE3 LYS A 47 1.156 -0.614 -11.190 1.00 65.41 H new ATOM 0 HZ1 LYS A 47 2.794 0.079 -9.613 1.00 21.43 H new ATOM 0 HZ2 LYS A 47 1.539 -0.684 -8.761 1.00 21.43 H new ATOM 0 HZ3 LYS A 47 3.001 -1.503 -9.031 1.00 21.43 H new ATOM 707 N ASP A 48 2.785 -7.161 -10.782 1.00 44.52 N ATOM 708 CA ASP A 48 4.117 -7.624 -11.143 1.00 44.05 C ATOM 709 C ASP A 48 4.066 -8.632 -12.278 1.00 13.42 C ATOM 710 O ASP A 48 4.948 -8.640 -13.131 1.00 24.45 O ATOM 711 CB ASP A 48 4.808 -8.241 -9.923 1.00 31.30 C ATOM 712 CG ASP A 48 5.092 -7.222 -8.836 1.00 44.43 C ATOM 713 OD1 ASP A 48 4.193 -6.941 -8.024 1.00 3.13 O ATOM 714 OD2 ASP A 48 6.222 -6.697 -8.791 1.00 33.45 O ATOM 0 H ASP A 48 2.435 -7.549 -9.906 1.00 44.52 H new ATOM 0 HA ASP A 48 4.690 -6.762 -11.485 1.00 44.05 H new ATOM 0 HB2 ASP A 48 4.180 -9.034 -9.517 1.00 31.30 H new ATOM 0 HB3 ASP A 48 5.744 -8.704 -10.236 1.00 31.30 H new ATOM 719 N THR A 49 3.016 -9.453 -12.305 1.00 60.03 N ATOM 720 CA THR A 49 2.889 -10.480 -13.321 1.00 51.41 C ATOM 721 C THR A 49 2.401 -9.900 -14.669 1.00 41.12 C ATOM 722 O THR A 49 2.827 -10.351 -15.729 1.00 54.25 O ATOM 723 CB THR A 49 1.990 -11.641 -12.837 1.00 10.22 C ATOM 724 OG1 THR A 49 2.424 -12.059 -11.541 1.00 74.41 O ATOM 725 CG2 THR A 49 2.070 -12.847 -13.763 1.00 14.23 C ATOM 0 H THR A 49 2.248 -9.422 -11.635 1.00 60.03 H new ATOM 0 HA THR A 49 3.884 -10.889 -13.496 1.00 51.41 H new ATOM 0 HB THR A 49 0.963 -11.276 -12.821 1.00 10.22 H new ATOM 0 HG1 THR A 49 1.857 -12.794 -11.227 1.00 74.41 H new ATOM 0 HG21 THR A 49 1.423 -13.639 -13.386 1.00 14.23 H new ATOM 0 HG22 THR A 49 1.746 -12.560 -14.763 1.00 14.23 H new ATOM 0 HG23 THR A 49 3.098 -13.207 -13.804 1.00 14.23 H new ATOM 733 N LEU A 50 1.546 -8.873 -14.630 1.00 45.10 N ATOM 734 CA LEU A 50 1.122 -8.172 -15.846 1.00 44.13 C ATOM 735 C LEU A 50 2.258 -7.351 -16.449 1.00 13.34 C ATOM 736 O LEU A 50 2.348 -7.235 -17.665 1.00 41.30 O ATOM 737 CB LEU A 50 -0.097 -7.272 -15.594 1.00 73.35 C ATOM 738 CG LEU A 50 -1.455 -7.988 -15.551 1.00 52.14 C ATOM 739 CD1 LEU A 50 -2.581 -6.983 -15.421 1.00 14.31 C ATOM 740 CD2 LEU A 50 -1.664 -8.850 -16.790 1.00 42.24 C ATOM 0 H LEU A 50 1.134 -8.509 -13.771 1.00 45.10 H new ATOM 0 HA LEU A 50 0.835 -8.944 -16.561 1.00 44.13 H new ATOM 0 HB2 LEU A 50 0.048 -6.751 -14.648 1.00 73.35 H new ATOM 0 HB3 LEU A 50 -0.132 -6.512 -16.374 1.00 73.35 H new ATOM 0 HG LEU A 50 -1.459 -8.640 -14.678 1.00 52.14 H new ATOM 0 HD11 LEU A 50 -3.536 -7.508 -15.392 1.00 14.31 H new ATOM 0 HD12 LEU A 50 -2.454 -6.411 -14.502 1.00 14.31 H new ATOM 0 HD13 LEU A 50 -2.565 -6.306 -16.275 1.00 14.31 H new ATOM 0 HD21 LEU A 50 -2.634 -9.344 -16.730 1.00 42.24 H new ATOM 0 HD22 LEU A 50 -1.631 -8.222 -17.680 1.00 42.24 H new ATOM 0 HD23 LEU A 50 -0.877 -9.602 -16.847 1.00 42.24 H new ATOM 752 N SER A 51 3.122 -6.793 -15.598 1.00 63.34 N ATOM 753 CA SER A 51 4.282 -6.033 -16.066 1.00 74.30 C ATOM 754 C SER A 51 5.363 -6.950 -16.655 1.00 45.41 C ATOM 755 O SER A 51 6.017 -6.578 -17.631 1.00 61.21 O ATOM 756 CB SER A 51 4.863 -5.190 -14.930 1.00 72.11 C ATOM 757 OG SER A 51 3.899 -4.269 -14.438 1.00 61.52 O ATOM 0 H SER A 51 3.040 -6.853 -14.583 1.00 63.34 H new ATOM 0 HA SER A 51 3.940 -5.371 -16.861 1.00 74.30 H new ATOM 0 HB2 SER A 51 5.195 -5.841 -14.122 1.00 72.11 H new ATOM 0 HB3 SER A 51 5.740 -4.649 -15.285 1.00 72.11 H new ATOM 0 HG SER A 51 3.321 -4.718 -13.787 1.00 61.52 H new ATOM 763 N ARG A 52 5.510 -8.167 -16.092 1.00 73.22 N ATOM 764 CA ARG A 52 6.537 -9.124 -16.536 1.00 50.33 C ATOM 765 C ARG A 52 6.169 -9.737 -17.896 1.00 63.20 C ATOM 766 O ARG A 52 7.043 -10.111 -18.672 1.00 30.11 O ATOM 767 CB ARG A 52 6.761 -10.222 -15.459 1.00 14.51 C ATOM 768 CG ARG A 52 5.903 -11.479 -15.593 1.00 41.44 C ATOM 769 CD ARG A 52 5.850 -12.301 -14.318 1.00 22.42 C ATOM 770 NE ARG A 52 7.163 -12.756 -13.850 1.00 45.14 N ATOM 771 CZ ARG A 52 7.480 -14.038 -13.628 1.00 43.53 C ATOM 772 NH1 ARG A 52 6.697 -15.023 -14.068 1.00 4.11 N ATOM 773 NH2 ARG A 52 8.616 -14.326 -13.008 1.00 11.41 N ATOM 0 H ARG A 52 4.927 -8.508 -15.327 1.00 73.22 H new ATOM 0 HA ARG A 52 7.476 -8.585 -16.665 1.00 50.33 H new ATOM 0 HB2 ARG A 52 7.810 -10.518 -15.484 1.00 14.51 H new ATOM 0 HB3 ARG A 52 6.577 -9.784 -14.478 1.00 14.51 H new ATOM 0 HG2 ARG A 52 4.890 -11.192 -15.876 1.00 41.44 H new ATOM 0 HG3 ARG A 52 6.297 -12.096 -16.400 1.00 41.44 H new ATOM 0 HD2 ARG A 52 5.381 -11.707 -13.533 1.00 22.42 H new ATOM 0 HD3 ARG A 52 5.213 -13.170 -14.484 1.00 22.42 H new ATOM 0 HE ARG A 52 7.881 -12.051 -13.683 1.00 45.14 H new ATOM 0 HH11 ARG A 52 5.843 -14.805 -14.582 1.00 4.11 H new ATOM 0 HH12 ARG A 52 6.952 -15.995 -13.891 1.00 4.11 H new ATOM 0 HH21 ARG A 52 9.237 -13.575 -12.706 1.00 11.41 H new ATOM 0 HH22 ARG A 52 8.869 -15.298 -12.833 1.00 11.41 H new ATOM 787 N ASN A 53 4.863 -9.819 -18.172 1.00 4.15 N ATOM 788 CA ASN A 53 4.364 -10.397 -19.416 1.00 0.44 C ATOM 789 C ASN A 53 4.083 -9.330 -20.468 1.00 54.30 C ATOM 790 O ASN A 53 3.874 -9.652 -21.636 1.00 5.21 O ATOM 791 CB ASN A 53 3.096 -11.211 -19.140 1.00 10.15 C ATOM 792 CG ASN A 53 3.368 -12.483 -18.357 1.00 14.22 C ATOM 793 OD1 ASN A 53 4.411 -13.116 -18.509 1.00 32.10 O ATOM 794 ND2 ASN A 53 2.440 -12.849 -17.490 1.00 15.12 N ATOM 0 H ASN A 53 4.131 -9.489 -17.543 1.00 4.15 H new ATOM 0 HA ASN A 53 5.141 -11.051 -19.813 1.00 0.44 H new ATOM 0 HB2 ASN A 53 2.388 -10.594 -18.586 1.00 10.15 H new ATOM 0 HB3 ASN A 53 2.622 -11.468 -20.087 1.00 10.15 H new ATOM 0 HD21 ASN A 53 2.576 -13.683 -16.918 1.00 15.12 H new ATOM 0 HD22 ASN A 53 1.587 -12.298 -17.392 1.00 15.12 H new ATOM 801 N GLY A 54 4.072 -8.064 -20.039 1.00 35.53 N ATOM 802 CA GLY A 54 3.819 -6.946 -20.940 1.00 72.41 C ATOM 803 C GLY A 54 2.364 -6.838 -21.365 1.00 61.53 C ATOM 804 O GLY A 54 2.074 -6.571 -22.533 1.00 64.24 O ATOM 0 H GLY A 54 4.236 -7.792 -19.070 1.00 35.53 H new ATOM 0 HA2 GLY A 54 4.118 -6.019 -20.451 1.00 72.41 H new ATOM 0 HA3 GLY A 54 4.443 -7.054 -21.827 1.00 72.41 H new ATOM 808 N GLY A 55 1.459 -7.055 -20.419 1.00 74.20 N ATOM 809 CA GLY A 55 0.037 -6.978 -20.693 1.00 14.03 C ATOM 810 C GLY A 55 -0.704 -6.240 -19.607 1.00 73.41 C ATOM 811 O GLY A 55 -1.744 -6.703 -19.157 1.00 21.32 O ATOM 0 H GLY A 55 1.690 -7.286 -19.453 1.00 74.20 H new ATOM 0 HA2 GLY A 55 -0.122 -6.476 -21.647 1.00 14.03 H new ATOM 0 HA3 GLY A 55 -0.369 -7.985 -20.791 1.00 14.03 H new ATOM 815 N TYR A 56 -0.145 -5.094 -19.195 1.00 42.04 N ATOM 816 CA TYR A 56 -0.695 -4.241 -18.126 1.00 35.01 C ATOM 817 C TYR A 56 -2.094 -3.714 -18.493 1.00 62.00 C ATOM 818 O TYR A 56 -2.239 -2.756 -19.260 1.00 60.55 O ATOM 819 CB TYR A 56 0.287 -3.078 -17.897 1.00 74.44 C ATOM 820 CG TYR A 56 0.102 -2.276 -16.619 1.00 5.03 C ATOM 821 CD1 TYR A 56 -0.755 -1.182 -16.566 1.00 2.03 C ATOM 822 CD2 TYR A 56 0.832 -2.590 -15.479 1.00 21.41 C ATOM 823 CE1 TYR A 56 -0.874 -0.422 -15.419 1.00 43.14 C ATOM 824 CE2 TYR A 56 0.710 -1.841 -14.325 1.00 32.24 C ATOM 825 CZ TYR A 56 -0.141 -0.758 -14.300 1.00 54.51 C ATOM 826 OH TYR A 56 -0.244 0.000 -13.154 1.00 11.34 O ATOM 0 H TYR A 56 0.716 -4.725 -19.600 1.00 42.04 H new ATOM 0 HA TYR A 56 -0.810 -4.824 -17.212 1.00 35.01 H new ATOM 0 HB2 TYR A 56 1.300 -3.480 -17.904 1.00 74.44 H new ATOM 0 HB3 TYR A 56 0.210 -2.395 -18.743 1.00 74.44 H new ATOM 0 HD1 TYR A 56 -1.338 -0.922 -17.437 1.00 2.03 H new ATOM 0 HD2 TYR A 56 1.506 -3.434 -15.496 1.00 21.41 H new ATOM 0 HE1 TYR A 56 -1.537 0.430 -15.398 1.00 43.14 H new ATOM 0 HE2 TYR A 56 1.280 -2.103 -13.446 1.00 32.24 H new ATOM 0 HH TYR A 56 -0.961 0.660 -13.261 1.00 11.34 H new ATOM 836 N LYS A 57 -3.116 -4.393 -17.987 1.00 34.14 N ATOM 837 CA LYS A 57 -4.491 -4.068 -18.322 1.00 3.45 C ATOM 838 C LYS A 57 -5.042 -2.908 -17.515 1.00 44.21 C ATOM 839 O LYS A 57 -4.749 -2.739 -16.332 1.00 53.14 O ATOM 840 CB LYS A 57 -5.395 -5.293 -18.172 1.00 0.21 C ATOM 841 CG LYS A 57 -5.396 -6.205 -19.390 1.00 71.12 C ATOM 842 CD LYS A 57 -5.873 -5.466 -20.633 1.00 10.25 C ATOM 843 CE LYS A 57 -5.917 -6.369 -21.856 1.00 63.21 C ATOM 844 NZ LYS A 57 -4.581 -6.927 -22.185 1.00 23.13 N ATOM 0 H LYS A 57 -3.014 -5.175 -17.340 1.00 34.14 H new ATOM 0 HA LYS A 57 -4.482 -3.753 -19.365 1.00 3.45 H new ATOM 0 HB2 LYS A 57 -5.075 -5.865 -17.301 1.00 0.21 H new ATOM 0 HB3 LYS A 57 -6.414 -4.960 -17.978 1.00 0.21 H new ATOM 0 HG2 LYS A 57 -4.391 -6.593 -19.558 1.00 71.12 H new ATOM 0 HG3 LYS A 57 -6.042 -7.063 -19.204 1.00 71.12 H new ATOM 0 HD2 LYS A 57 -6.866 -5.055 -20.451 1.00 10.25 H new ATOM 0 HD3 LYS A 57 -5.210 -4.623 -20.829 1.00 10.25 H new ATOM 0 HE2 LYS A 57 -6.617 -7.185 -21.679 1.00 63.21 H new ATOM 0 HE3 LYS A 57 -6.294 -5.805 -22.709 1.00 63.21 H new ATOM 0 HZ1 LYS A 57 -4.615 -7.380 -23.121 1.00 23.13 H new ATOM 0 HZ2 LYS A 57 -3.878 -6.161 -22.197 1.00 23.13 H new ATOM 0 HZ3 LYS A 57 -4.313 -7.632 -21.469 1.00 23.13 H new ATOM 858 N MET A 58 -5.811 -2.093 -18.214 1.00 3.04 N ATOM 859 CA MET A 58 -6.572 -1.009 -17.623 1.00 12.53 C ATOM 860 C MET A 58 -7.994 -1.125 -18.144 1.00 64.23 C ATOM 861 O MET A 58 -8.188 -1.266 -19.354 1.00 60.32 O ATOM 862 CB MET A 58 -6.015 0.361 -18.036 1.00 60.53 C ATOM 863 CG MET A 58 -4.524 0.548 -17.796 1.00 23.43 C ATOM 864 SD MET A 58 -3.841 1.986 -18.649 1.00 4.11 S ATOM 865 CE MET A 58 -4.845 3.317 -17.992 1.00 22.52 C ATOM 0 H MET A 58 -5.926 -2.168 -19.225 1.00 3.04 H new ATOM 0 HA MET A 58 -6.520 -1.082 -16.537 1.00 12.53 H new ATOM 0 HB2 MET A 58 -6.219 0.515 -19.096 1.00 60.53 H new ATOM 0 HB3 MET A 58 -6.555 1.135 -17.491 1.00 60.53 H new ATOM 0 HG2 MET A 58 -4.345 0.650 -16.726 1.00 23.43 H new ATOM 0 HG3 MET A 58 -3.995 -0.346 -18.124 1.00 23.43 H new ATOM 0 HE1 MET A 58 -4.209 4.171 -17.759 1.00 22.52 H new ATOM 0 HE2 MET A 58 -5.590 3.610 -18.732 1.00 22.52 H new ATOM 0 HE3 MET A 58 -5.347 2.980 -17.085 1.00 22.52 H new ATOM 875 N VAL A 59 -8.984 -1.093 -17.261 1.00 74.02 N ATOM 876 CA VAL A 59 -10.382 -1.139 -17.704 1.00 12.10 C ATOM 877 C VAL A 59 -10.890 0.270 -18.046 1.00 52.34 C ATOM 878 O VAL A 59 -11.863 0.434 -18.783 1.00 73.02 O ATOM 879 CB VAL A 59 -11.327 -1.842 -16.678 1.00 44.21 C ATOM 880 CG1 VAL A 59 -10.860 -3.266 -16.391 1.00 1.51 C ATOM 881 CG2 VAL A 59 -11.462 -1.065 -15.378 1.00 42.31 C ATOM 0 H VAL A 59 -8.855 -1.036 -16.251 1.00 74.02 H new ATOM 0 HA VAL A 59 -10.403 -1.750 -18.606 1.00 12.10 H new ATOM 0 HB VAL A 59 -12.313 -1.875 -17.141 1.00 44.21 H new ATOM 0 HG11 VAL A 59 -11.535 -3.733 -15.674 1.00 1.51 H new ATOM 0 HG12 VAL A 59 -10.859 -3.842 -17.316 1.00 1.51 H new ATOM 0 HG13 VAL A 59 -9.852 -3.242 -15.977 1.00 1.51 H new ATOM 0 HG21 VAL A 59 -12.130 -1.599 -14.702 1.00 42.31 H new ATOM 0 HG22 VAL A 59 -10.482 -0.961 -14.913 1.00 42.31 H new ATOM 0 HG23 VAL A 59 -11.871 -0.076 -15.586 1.00 42.31 H new ATOM 891 N GLU A 60 -10.184 1.275 -17.525 1.00 51.34 N ATOM 892 CA GLU A 60 -10.485 2.685 -17.755 1.00 62.25 C ATOM 893 C GLU A 60 -9.176 3.427 -17.932 1.00 63.12 C ATOM 894 O GLU A 60 -8.122 2.918 -17.558 1.00 4.53 O ATOM 895 CB GLU A 60 -11.254 3.299 -16.573 1.00 1.20 C ATOM 896 CG GLU A 60 -12.695 2.825 -16.422 1.00 5.33 C ATOM 897 CD GLU A 60 -13.626 3.442 -17.431 1.00 3.12 C ATOM 898 OE1 GLU A 60 -14.041 4.603 -17.230 1.00 61.51 O ATOM 899 OE2 GLU A 60 -13.969 2.765 -18.412 1.00 33.22 O ATOM 0 H GLU A 60 -9.375 1.127 -16.922 1.00 51.34 H new ATOM 0 HA GLU A 60 -11.111 2.769 -18.643 1.00 62.25 H new ATOM 0 HB2 GLU A 60 -10.715 3.073 -15.653 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -11.254 4.383 -16.684 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -12.727 1.740 -16.522 1.00 5.33 H new ATOM 0 HG3 GLU A 60 -13.047 3.063 -15.418 1.00 5.33 H new ATOM 906 N TYR A 61 -9.239 4.622 -18.494 1.00 65.34 N ATOM 907 CA TYR A 61 -8.057 5.456 -18.656 1.00 0.22 C ATOM 908 C TYR A 61 -8.117 6.659 -17.715 1.00 20.41 C ATOM 909 O TYR A 61 -7.887 7.803 -18.118 1.00 63.44 O ATOM 910 CB TYR A 61 -7.897 5.897 -20.118 1.00 61.52 C ATOM 911 CG TYR A 61 -7.127 4.911 -20.975 1.00 21.25 C ATOM 912 CD1 TYR A 61 -7.684 3.698 -21.366 1.00 4.15 C ATOM 913 CD2 TYR A 61 -5.832 5.198 -21.385 1.00 73.35 C ATOM 914 CE1 TYR A 61 -6.973 2.803 -22.139 1.00 73.14 C ATOM 915 CE2 TYR A 61 -5.115 4.307 -22.156 1.00 14.14 C ATOM 916 CZ TYR A 61 -5.689 3.112 -22.532 1.00 31.43 C ATOM 917 OH TYR A 61 -4.974 2.225 -23.302 1.00 20.34 O ATOM 0 H TYR A 61 -10.100 5.039 -18.848 1.00 65.34 H new ATOM 0 HA TYR A 61 -7.179 4.867 -18.391 1.00 0.22 H new ATOM 0 HB2 TYR A 61 -8.885 6.047 -20.553 1.00 61.52 H new ATOM 0 HB3 TYR A 61 -7.388 6.861 -20.143 1.00 61.52 H new ATOM 0 HD1 TYR A 61 -8.690 3.452 -21.059 1.00 4.15 H new ATOM 0 HD2 TYR A 61 -5.379 6.134 -21.095 1.00 73.35 H new ATOM 0 HE1 TYR A 61 -7.420 1.865 -22.434 1.00 73.14 H new ATOM 0 HE2 TYR A 61 -4.108 4.545 -22.464 1.00 14.14 H new ATOM 0 HH TYR A 61 -4.088 2.597 -23.492 1.00 20.34 H new ATOM 927 N GLY A 62 -8.405 6.372 -16.445 1.00 45.21 N ATOM 928 CA GLY A 62 -8.444 7.404 -15.424 1.00 33.41 C ATOM 929 C GLY A 62 -7.136 7.515 -14.658 1.00 71.42 C ATOM 930 O GLY A 62 -6.996 8.372 -13.786 1.00 73.24 O ATOM 0 H GLY A 62 -8.614 5.433 -16.105 1.00 45.21 H new ATOM 0 HA2 GLY A 62 -8.671 8.363 -15.890 1.00 33.41 H new ATOM 0 HA3 GLY A 62 -9.253 7.189 -14.726 1.00 33.41 H new ATOM 934 N GLY A 63 -6.190 6.639 -14.987 1.00 25.43 N ATOM 935 CA GLY A 63 -4.886 6.654 -14.355 1.00 33.34 C ATOM 936 C GLY A 63 -4.625 5.373 -13.604 1.00 61.34 C ATOM 937 O GLY A 63 -5.135 5.183 -12.507 1.00 0.45 O ATOM 0 H GLY A 63 -6.309 5.910 -15.691 1.00 25.43 H new ATOM 0 HA2 GLY A 63 -4.115 6.798 -15.112 1.00 33.34 H new ATOM 0 HA3 GLY A 63 -4.822 7.499 -13.670 1.00 33.34 H new ATOM 941 N ALA A 64 -3.834 4.488 -14.203 1.00 12.02 N ATOM 942 CA ALA A 64 -3.539 3.185 -13.606 1.00 13.34 C ATOM 943 C ALA A 64 -2.280 3.232 -12.744 1.00 23.23 C ATOM 944 O ALA A 64 -1.895 2.236 -12.142 1.00 34.22 O ATOM 945 CB ALA A 64 -3.390 2.136 -14.688 1.00 24.34 C ATOM 0 H ALA A 64 -3.384 4.648 -15.104 1.00 12.02 H new ATOM 0 HA ALA A 64 -4.375 2.920 -12.959 1.00 13.34 H new ATOM 0 HB1 ALA A 64 -3.171 1.171 -14.231 1.00 24.34 H new ATOM 0 HB2 ALA A 64 -4.317 2.066 -15.257 1.00 24.34 H new ATOM 0 HB3 ALA A 64 -2.575 2.415 -15.356 1.00 24.34 H new ATOM 951 N GLN A 65 -1.633 4.399 -12.717 1.00 74.53 N ATOM 952 CA GLN A 65 -0.468 4.631 -11.870 1.00 14.25 C ATOM 953 C GLN A 65 -0.886 5.417 -10.619 1.00 52.22 C ATOM 954 O GLN A 65 -0.036 5.920 -9.877 1.00 35.04 O ATOM 955 CB GLN A 65 0.630 5.415 -12.621 1.00 54.01 C ATOM 956 CG GLN A 65 1.377 4.664 -13.730 1.00 51.33 C ATOM 957 CD GLN A 65 0.612 4.536 -15.040 1.00 30.22 C ATOM 958 OE1 GLN A 65 0.644 5.433 -15.872 1.00 53.41 O ATOM 959 NE2 GLN A 65 -0.045 3.407 -15.251 1.00 42.04 N ATOM 0 H GLN A 65 -1.903 5.205 -13.281 1.00 74.53 H new ATOM 0 HA GLN A 65 -0.062 3.660 -11.586 1.00 14.25 H new ATOM 0 HB2 GLN A 65 0.175 6.303 -13.059 1.00 54.01 H new ATOM 0 HB3 GLN A 65 1.362 5.759 -11.891 1.00 54.01 H new ATOM 0 HG2 GLN A 65 2.320 5.175 -13.924 1.00 51.33 H new ATOM 0 HG3 GLN A 65 1.624 3.665 -13.370 1.00 51.33 H new ATOM 0 HE21 GLN A 65 -0.051 2.679 -14.536 1.00 42.04 H new ATOM 0 HE22 GLN A 65 -0.545 3.264 -16.128 1.00 42.04 H new ATOM 968 N ALA A 66 -2.211 5.500 -10.398 1.00 63.21 N ATOM 969 CA ALA A 66 -2.791 6.228 -9.265 1.00 41.02 C ATOM 970 C ALA A 66 -2.757 5.392 -7.984 1.00 75.42 C ATOM 971 O ALA A 66 -3.010 5.904 -6.887 1.00 0.14 O ATOM 972 CB ALA A 66 -4.222 6.645 -9.586 1.00 24.35 C ATOM 0 H ALA A 66 -2.906 5.062 -11.003 1.00 63.21 H new ATOM 0 HA ALA A 66 -2.187 7.120 -9.096 1.00 41.02 H new ATOM 0 HB1 ALA A 66 -4.643 7.185 -8.738 1.00 24.35 H new ATOM 0 HB2 ALA A 66 -4.225 7.291 -10.464 1.00 24.35 H new ATOM 0 HB3 ALA A 66 -4.823 5.758 -9.786 1.00 24.35 H new ATOM 978 N GLU A 67 -2.442 4.106 -8.139 1.00 24.43 N ATOM 979 CA GLU A 67 -2.196 3.221 -7.012 1.00 53.51 C ATOM 980 C GLU A 67 -0.747 3.385 -6.511 1.00 11.40 C ATOM 981 O GLU A 67 -0.045 4.330 -6.907 1.00 14.24 O ATOM 982 CB GLU A 67 -2.552 1.752 -7.377 1.00 1.31 C ATOM 983 CG GLU A 67 -2.169 1.285 -8.781 1.00 23.55 C ATOM 984 CD GLU A 67 -0.678 1.051 -8.960 1.00 64.33 C ATOM 985 OE1 GLU A 67 -0.121 0.161 -8.284 1.00 52.25 O ATOM 986 OE2 GLU A 67 -0.060 1.749 -9.784 1.00 23.33 O ATOM 0 H GLU A 67 -2.352 3.654 -9.049 1.00 24.43 H new ATOM 0 HA GLU A 67 -2.850 3.498 -6.185 1.00 53.51 H new ATOM 0 HB2 GLU A 67 -2.068 1.094 -6.655 1.00 1.31 H new ATOM 0 HB3 GLU A 67 -3.627 1.622 -7.256 1.00 1.31 H new ATOM 0 HG2 GLU A 67 -2.703 0.361 -9.006 1.00 23.55 H new ATOM 0 HG3 GLU A 67 -2.501 2.029 -9.505 1.00 23.55 H new ATOM 993 N TRP A 68 -0.306 2.490 -5.633 1.00 5.11 N ATOM 994 CA TRP A 68 1.031 2.580 -5.043 1.00 2.44 C ATOM 995 C TRP A 68 2.086 2.086 -6.034 1.00 50.31 C ATOM 996 O TRP A 68 2.378 0.893 -6.137 1.00 14.54 O ATOM 997 CB TRP A 68 1.089 1.810 -3.715 1.00 24.42 C ATOM 998 CG TRP A 68 -0.031 2.169 -2.775 1.00 74.33 C ATOM 999 CD1 TRP A 68 -0.965 1.318 -2.260 1.00 43.25 C ATOM 1000 CD2 TRP A 68 -0.357 3.475 -2.267 1.00 2.43 C ATOM 1001 NE1 TRP A 68 -1.857 2.012 -1.475 1.00 22.25 N ATOM 1002 CE2 TRP A 68 -1.501 3.335 -1.462 1.00 13.31 C ATOM 1003 CE3 TRP A 68 0.207 4.749 -2.413 1.00 12.51 C ATOM 1004 CZ2 TRP A 68 -2.095 4.420 -0.822 1.00 61.23 C ATOM 1005 CZ3 TRP A 68 -0.381 5.817 -1.770 1.00 22.24 C ATOM 1006 CH2 TRP A 68 -1.519 5.646 -0.981 1.00 64.45 C ATOM 0 H TRP A 68 -0.854 1.692 -5.312 1.00 5.11 H new ATOM 0 HA TRP A 68 1.250 3.625 -4.823 1.00 2.44 H new ATOM 0 HB2 TRP A 68 1.054 0.740 -3.920 1.00 24.42 H new ATOM 0 HB3 TRP A 68 2.043 2.010 -3.227 1.00 24.42 H new ATOM 0 HD1 TRP A 68 -0.999 0.254 -2.442 1.00 43.25 H new ATOM 0 HE1 TRP A 68 -2.654 1.607 -0.983 1.00 22.25 H new ATOM 0 HE3 TRP A 68 1.089 4.892 -3.020 1.00 12.51 H new ATOM 0 HZ2 TRP A 68 -2.983 4.295 -0.220 1.00 61.23 H new ATOM 0 HZ3 TRP A 68 0.046 6.803 -1.879 1.00 22.24 H new ATOM 0 HH2 TRP A 68 -1.953 6.502 -0.486 1.00 64.45 H new ATOM 1017 N HIS A 69 2.629 3.040 -6.784 1.00 30.22 N ATOM 1018 CA HIS A 69 3.471 2.747 -7.926 1.00 50.22 C ATOM 1019 C HIS A 69 4.844 3.403 -7.761 1.00 72.04 C ATOM 1020 O HIS A 69 5.816 2.741 -7.414 1.00 73.44 O ATOM 1021 CB HIS A 69 2.770 3.267 -9.200 1.00 4.11 C ATOM 1022 CG HIS A 69 3.201 2.634 -10.492 1.00 61.14 C ATOM 1023 ND1 HIS A 69 2.309 2.053 -11.365 1.00 22.53 N ATOM 1024 CD2 HIS A 69 4.412 2.523 -11.076 1.00 54.10 C ATOM 1025 CE1 HIS A 69 2.950 1.617 -12.428 1.00 61.42 C ATOM 1026 NE2 HIS A 69 4.227 1.890 -12.280 1.00 55.23 N ATOM 0 H HIS A 69 2.494 4.036 -6.612 1.00 30.22 H new ATOM 0 HA HIS A 69 3.625 1.671 -8.005 1.00 50.22 H new ATOM 0 HB2 HIS A 69 1.696 3.119 -9.086 1.00 4.11 H new ATOM 0 HB3 HIS A 69 2.938 4.342 -9.271 1.00 4.11 H new ATOM 0 HD1 HIS A 69 1.304 1.973 -11.211 1.00 22.53 H new ATOM 0 HD2 HIS A 69 5.352 2.868 -10.672 1.00 54.10 H new ATOM 0 HE1 HIS A 69 2.503 1.120 -13.277 1.00 61.42 H new ATOM 1035 N GLU A 70 4.891 4.717 -7.988 1.00 22.44 N ATOM 1036 CA GLU A 70 6.153 5.438 -8.101 1.00 10.31 C ATOM 1037 C GLU A 70 6.376 6.365 -6.916 1.00 23.13 C ATOM 1038 O GLU A 70 7.275 6.145 -6.120 1.00 55.12 O ATOM 1039 CB GLU A 70 6.164 6.249 -9.400 1.00 34.31 C ATOM 1040 CG GLU A 70 7.485 6.953 -9.693 1.00 73.41 C ATOM 1041 CD GLU A 70 7.354 7.968 -10.795 1.00 21.02 C ATOM 1042 OE1 GLU A 70 7.317 7.572 -11.973 1.00 43.13 O ATOM 1043 OE2 GLU A 70 7.264 9.169 -10.485 1.00 32.53 O ATOM 0 H GLU A 70 4.063 5.303 -8.097 1.00 22.44 H new ATOM 0 HA GLU A 70 6.961 4.706 -8.111 1.00 10.31 H new ATOM 0 HB2 GLU A 70 5.929 5.584 -10.231 1.00 34.31 H new ATOM 0 HB3 GLU A 70 5.371 6.995 -9.355 1.00 34.31 H new ATOM 0 HG2 GLU A 70 7.841 7.445 -8.788 1.00 73.41 H new ATOM 0 HG3 GLU A 70 8.236 6.213 -9.970 1.00 73.41 H new ATOM 1050 N GLN A 71 5.493 7.363 -6.785 1.00 1.15 N ATOM 1051 CA GLN A 71 5.656 8.483 -5.838 1.00 13.34 C ATOM 1052 C GLN A 71 5.294 8.095 -4.397 1.00 40.50 C ATOM 1053 O GLN A 71 5.457 8.886 -3.460 1.00 63.14 O ATOM 1054 CB GLN A 71 4.841 9.682 -6.341 1.00 34.33 C ATOM 1055 CG GLN A 71 5.282 10.112 -7.738 1.00 43.43 C ATOM 1056 CD GLN A 71 4.480 11.242 -8.354 1.00 20.54 C ATOM 1057 OE1 GLN A 71 3.959 12.117 -7.674 1.00 72.24 O ATOM 1058 NE2 GLN A 71 4.402 11.234 -9.670 1.00 1.21 N ATOM 0 H GLN A 71 4.637 7.420 -7.336 1.00 1.15 H new ATOM 0 HA GLN A 71 6.710 8.760 -5.801 1.00 13.34 H new ATOM 0 HB2 GLN A 71 3.782 9.423 -6.356 1.00 34.33 H new ATOM 0 HB3 GLN A 71 4.955 10.517 -5.649 1.00 34.33 H new ATOM 0 HG2 GLN A 71 6.328 10.414 -7.693 1.00 43.43 H new ATOM 0 HG3 GLN A 71 5.228 9.248 -8.400 1.00 43.43 H new ATOM 0 HE21 GLN A 71 4.849 10.488 -10.203 1.00 1.21 H new ATOM 0 HE22 GLN A 71 3.895 11.974 -10.155 1.00 1.21 H new ATOM 1067 N ALA A 72 4.808 6.858 -4.254 1.00 3.21 N ATOM 1068 CA ALA A 72 4.615 6.179 -2.970 1.00 61.21 C ATOM 1069 C ALA A 72 5.941 5.976 -2.208 1.00 41.42 C ATOM 1070 O ALA A 72 5.922 5.721 -1.011 1.00 32.43 O ATOM 1071 CB ALA A 72 3.935 4.840 -3.202 1.00 11.32 C ATOM 0 H ALA A 72 4.530 6.286 -5.051 1.00 3.21 H new ATOM 0 HA ALA A 72 3.985 6.816 -2.350 1.00 61.21 H new ATOM 0 HB1 ALA A 72 3.791 4.335 -2.247 1.00 11.32 H new ATOM 0 HB2 ALA A 72 2.967 5.001 -3.677 1.00 11.32 H new ATOM 0 HB3 ALA A 72 4.558 4.223 -3.849 1.00 11.32 H new ATOM 1077 N GLU A 73 7.070 6.024 -2.944 1.00 43.42 N ATOM 1078 CA GLU A 73 8.444 5.873 -2.406 1.00 2.12 C ATOM 1079 C GLU A 73 8.786 6.802 -1.211 1.00 2.41 C ATOM 1080 O GLU A 73 9.612 6.446 -0.369 1.00 55.43 O ATOM 1081 CB GLU A 73 9.471 6.101 -3.526 1.00 12.22 C ATOM 1082 CG GLU A 73 9.436 7.501 -4.135 1.00 45.13 C ATOM 1083 CD GLU A 73 10.445 7.689 -5.232 1.00 40.42 C ATOM 1084 OE1 GLU A 73 11.644 7.803 -4.925 1.00 14.45 O ATOM 1085 OE2 GLU A 73 10.044 7.742 -6.407 1.00 52.54 O ATOM 0 H GLU A 73 7.055 6.172 -3.953 1.00 43.42 H new ATOM 0 HA GLU A 73 8.489 4.855 -2.020 1.00 2.12 H new ATOM 0 HB2 GLU A 73 10.470 5.914 -3.131 1.00 12.22 H new ATOM 0 HB3 GLU A 73 9.299 5.370 -4.316 1.00 12.22 H new ATOM 0 HG2 GLU A 73 8.438 7.695 -4.529 1.00 45.13 H new ATOM 0 HG3 GLU A 73 9.618 8.237 -3.352 1.00 45.13 H new ATOM 1092 N LYS A 74 8.187 7.997 -1.153 1.00 41.44 N ATOM 1093 CA LYS A 74 8.433 8.929 -0.050 1.00 11.24 C ATOM 1094 C LYS A 74 7.760 8.414 1.220 1.00 44.10 C ATOM 1095 O LYS A 74 8.316 8.484 2.322 1.00 32.11 O ATOM 1096 CB LYS A 74 7.898 10.327 -0.403 1.00 12.13 C ATOM 1097 CG LYS A 74 8.468 10.899 -1.694 1.00 34.15 C ATOM 1098 CD LYS A 74 9.979 11.047 -1.618 1.00 62.42 C ATOM 1099 CE LYS A 74 10.593 11.319 -2.976 1.00 54.01 C ATOM 1100 NZ LYS A 74 12.075 11.308 -2.908 1.00 40.15 N ATOM 0 H LYS A 74 7.531 8.339 -1.855 1.00 41.44 H new ATOM 0 HA LYS A 74 9.507 9.001 0.119 1.00 11.24 H new ATOM 0 HB2 LYS A 74 6.812 10.279 -0.487 1.00 12.13 H new ATOM 0 HB3 LYS A 74 8.125 11.009 0.416 1.00 12.13 H new ATOM 0 HG2 LYS A 74 8.207 10.248 -2.528 1.00 34.15 H new ATOM 0 HG3 LYS A 74 8.016 11.870 -1.894 1.00 34.15 H new ATOM 0 HD2 LYS A 74 10.230 11.861 -0.938 1.00 62.42 H new ATOM 0 HD3 LYS A 74 10.412 10.138 -1.200 1.00 62.42 H new ATOM 0 HE2 LYS A 74 10.254 10.567 -3.688 1.00 54.01 H new ATOM 0 HE3 LYS A 74 10.251 12.286 -3.346 1.00 54.01 H new ATOM 0 HZ1 LYS A 74 12.467 11.497 -3.852 1.00 40.15 H new ATOM 0 HZ2 LYS A 74 12.398 12.042 -2.246 1.00 40.15 H new ATOM 0 HZ3 LYS A 74 12.400 10.377 -2.578 1.00 40.15 H new ATOM 1114 N VAL A 75 6.577 7.848 1.014 1.00 71.52 N ATOM 1115 CA VAL A 75 5.728 7.320 2.069 1.00 24.52 C ATOM 1116 C VAL A 75 6.282 5.997 2.642 1.00 11.34 C ATOM 1117 O VAL A 75 6.165 5.746 3.845 1.00 65.14 O ATOM 1118 CB VAL A 75 4.290 7.097 1.531 1.00 31.14 C ATOM 1119 CG1 VAL A 75 3.347 6.710 2.643 1.00 53.44 C ATOM 1120 CG2 VAL A 75 3.767 8.332 0.808 1.00 21.00 C ATOM 0 H VAL A 75 6.173 7.742 0.083 1.00 71.52 H new ATOM 0 HA VAL A 75 5.710 8.053 2.876 1.00 24.52 H new ATOM 0 HB VAL A 75 4.339 6.277 0.815 1.00 31.14 H new ATOM 0 HG11 VAL A 75 2.347 6.560 2.236 1.00 53.44 H new ATOM 0 HG12 VAL A 75 3.692 5.786 3.108 1.00 53.44 H new ATOM 0 HG13 VAL A 75 3.320 7.504 3.390 1.00 53.44 H new ATOM 0 HG21 VAL A 75 2.757 8.140 0.444 1.00 21.00 H new ATOM 0 HG22 VAL A 75 3.750 9.177 1.496 1.00 21.00 H new ATOM 0 HG23 VAL A 75 4.418 8.563 -0.035 1.00 21.00 H new ATOM 1130 N GLU A 76 6.885 5.164 1.776 1.00 13.23 N ATOM 1131 CA GLU A 76 7.382 3.845 2.182 1.00 32.22 C ATOM 1132 C GLU A 76 8.544 3.946 3.184 1.00 74.23 C ATOM 1133 O GLU A 76 8.585 3.191 4.156 1.00 72.42 O ATOM 1134 CB GLU A 76 7.763 2.978 0.961 1.00 34.00 C ATOM 1135 CG GLU A 76 9.011 3.400 0.205 1.00 40.53 C ATOM 1136 CD GLU A 76 9.392 2.432 -0.890 1.00 23.31 C ATOM 1137 OE1 GLU A 76 8.846 2.544 -2.003 1.00 34.22 O ATOM 1138 OE2 GLU A 76 10.248 1.559 -0.642 1.00 62.34 O ATOM 0 H GLU A 76 7.038 5.384 0.792 1.00 13.23 H new ATOM 0 HA GLU A 76 6.561 3.345 2.696 1.00 32.22 H new ATOM 0 HB2 GLU A 76 7.897 1.950 1.299 1.00 34.00 H new ATOM 0 HB3 GLU A 76 6.924 2.978 0.265 1.00 34.00 H new ATOM 0 HG2 GLU A 76 8.850 4.387 -0.229 1.00 40.53 H new ATOM 0 HG3 GLU A 76 9.840 3.492 0.906 1.00 40.53 H new ATOM 1145 N ALA A 77 9.450 4.909 2.961 1.00 13.24 N ATOM 1146 CA ALA A 77 10.555 5.178 3.874 1.00 41.05 C ATOM 1147 C ALA A 77 10.069 5.781 5.194 1.00 32.11 C ATOM 1148 O ALA A 77 10.709 5.608 6.235 1.00 54.33 O ATOM 1149 CB ALA A 77 11.554 6.100 3.206 1.00 41.13 C ATOM 0 H ALA A 77 9.432 5.518 2.143 1.00 13.24 H new ATOM 0 HA ALA A 77 11.037 4.229 4.111 1.00 41.05 H new ATOM 0 HB1 ALA A 77 12.379 6.300 3.890 1.00 41.13 H new ATOM 0 HB2 ALA A 77 11.938 5.627 2.302 1.00 41.13 H new ATOM 0 HB3 ALA A 77 11.065 7.038 2.944 1.00 41.13 H new ATOM 1155 N TYR A 78 8.925 6.470 5.141 1.00 3.13 N ATOM 1156 CA TYR A 78 8.328 7.076 6.320 1.00 34.32 C ATOM 1157 C TYR A 78 7.674 6.017 7.223 1.00 23.54 C ATOM 1158 O TYR A 78 7.695 6.152 8.433 1.00 63.41 O ATOM 1159 CB TYR A 78 7.320 8.163 5.927 1.00 24.54 C ATOM 1160 CG TYR A 78 6.959 9.087 7.069 1.00 60.51 C ATOM 1161 CD1 TYR A 78 7.908 9.947 7.603 1.00 11.13 C ATOM 1162 CD2 TYR A 78 5.685 9.090 7.624 1.00 42.11 C ATOM 1163 CE1 TYR A 78 7.603 10.781 8.652 1.00 22.22 C ATOM 1164 CE2 TYR A 78 5.374 9.923 8.678 1.00 4.22 C ATOM 1165 CZ TYR A 78 6.338 10.766 9.186 1.00 65.13 C ATOM 1166 OH TYR A 78 6.041 11.585 10.246 1.00 12.15 O ATOM 0 H TYR A 78 8.395 6.619 4.282 1.00 3.13 H new ATOM 0 HA TYR A 78 9.127 7.548 6.891 1.00 34.32 H new ATOM 0 HB2 TYR A 78 7.733 8.753 5.109 1.00 24.54 H new ATOM 0 HB3 TYR A 78 6.413 7.689 5.552 1.00 24.54 H new ATOM 0 HD1 TYR A 78 8.904 9.961 7.187 1.00 11.13 H new ATOM 0 HD2 TYR A 78 4.928 8.431 7.224 1.00 42.11 H new ATOM 0 HE1 TYR A 78 8.354 11.445 9.054 1.00 22.22 H new ATOM 0 HE2 TYR A 78 4.381 9.915 9.103 1.00 4.22 H new ATOM 0 HH TYR A 78 5.105 11.457 10.506 1.00 12.15 H new ATOM 1176 N LEU A 79 7.111 4.963 6.630 1.00 45.43 N ATOM 1177 CA LEU A 79 6.498 3.874 7.402 1.00 44.51 C ATOM 1178 C LEU A 79 7.571 3.070 8.147 1.00 43.31 C ATOM 1179 O LEU A 79 7.354 2.646 9.286 1.00 23.50 O ATOM 1180 CB LEU A 79 5.666 2.977 6.454 1.00 2.44 C ATOM 1181 CG LEU A 79 4.704 1.921 7.072 1.00 33.21 C ATOM 1182 CD1 LEU A 79 5.407 0.598 7.341 1.00 3.41 C ATOM 1183 CD2 LEU A 79 4.032 2.437 8.343 1.00 44.01 C ATOM 0 H LEU A 79 7.065 4.838 5.619 1.00 45.43 H new ATOM 0 HA LEU A 79 5.830 4.292 8.155 1.00 44.51 H new ATOM 0 HB2 LEU A 79 5.071 3.632 5.817 1.00 2.44 H new ATOM 0 HB3 LEU A 79 6.363 2.448 5.804 1.00 2.44 H new ATOM 0 HG LEU A 79 3.927 1.742 6.329 1.00 33.21 H new ATOM 0 HD11 LEU A 79 4.699 -0.109 7.772 1.00 3.41 H new ATOM 0 HD12 LEU A 79 5.797 0.197 6.406 1.00 3.41 H new ATOM 0 HD13 LEU A 79 6.229 0.758 8.038 1.00 3.41 H new ATOM 0 HD21 LEU A 79 3.369 1.669 8.742 1.00 44.01 H new ATOM 0 HD22 LEU A 79 4.793 2.680 9.084 1.00 44.01 H new ATOM 0 HD23 LEU A 79 3.453 3.331 8.111 1.00 44.01 H new ATOM 1195 N VAL A 80 8.723 2.881 7.505 1.00 43.33 N ATOM 1196 CA VAL A 80 9.847 2.162 8.110 1.00 5.22 C ATOM 1197 C VAL A 80 10.453 2.945 9.299 1.00 11.24 C ATOM 1198 O VAL A 80 10.845 2.347 10.295 1.00 13.03 O ATOM 1199 CB VAL A 80 10.938 1.826 7.045 1.00 43.55 C ATOM 1200 CG1 VAL A 80 12.122 1.086 7.655 1.00 40.24 C ATOM 1201 CG2 VAL A 80 10.351 0.990 5.915 1.00 71.30 C ATOM 0 H VAL A 80 8.904 3.218 6.559 1.00 43.33 H new ATOM 0 HA VAL A 80 9.458 1.222 8.503 1.00 5.22 H new ATOM 0 HB VAL A 80 11.295 2.777 6.649 1.00 43.55 H new ATOM 0 HG11 VAL A 80 12.857 0.872 6.879 1.00 40.24 H new ATOM 0 HG12 VAL A 80 12.579 1.705 8.427 1.00 40.24 H new ATOM 0 HG13 VAL A 80 11.778 0.151 8.096 1.00 40.24 H new ATOM 0 HG21 VAL A 80 11.129 0.768 5.185 1.00 71.30 H new ATOM 0 HG22 VAL A 80 9.956 0.058 6.319 1.00 71.30 H new ATOM 0 HG23 VAL A 80 9.547 1.545 5.431 1.00 71.30 H new ATOM 1211 N GLU A 81 10.507 4.278 9.217 1.00 75.01 N ATOM 1212 CA GLU A 81 11.017 5.064 10.347 1.00 54.42 C ATOM 1213 C GLU A 81 9.980 5.215 11.476 1.00 22.21 C ATOM 1214 O GLU A 81 10.356 5.335 12.639 1.00 25.41 O ATOM 1215 CB GLU A 81 11.547 6.433 9.906 1.00 60.32 C ATOM 1216 CG GLU A 81 10.507 7.365 9.311 1.00 5.24 C ATOM 1217 CD GLU A 81 11.050 8.736 9.037 1.00 41.01 C ATOM 1218 OE1 GLU A 81 11.671 8.934 7.977 1.00 60.44 O ATOM 1219 OE2 GLU A 81 10.861 9.627 9.881 1.00 32.31 O ATOM 0 H GLU A 81 10.214 4.823 8.406 1.00 75.01 H new ATOM 0 HA GLU A 81 11.856 4.497 10.751 1.00 54.42 H new ATOM 0 HB2 GLU A 81 12.002 6.924 10.767 1.00 60.32 H new ATOM 0 HB3 GLU A 81 12.338 6.280 9.172 1.00 60.32 H new ATOM 0 HG2 GLU A 81 10.129 6.936 8.383 1.00 5.24 H new ATOM 0 HG3 GLU A 81 9.661 7.443 9.994 1.00 5.24 H new ATOM 1226 N LYS A 82 8.682 5.194 11.136 1.00 71.33 N ATOM 1227 CA LYS A 82 7.617 5.398 12.129 1.00 41.01 C ATOM 1228 C LYS A 82 7.267 4.128 12.887 1.00 32.41 C ATOM 1229 O LYS A 82 6.839 4.210 14.040 1.00 3.33 O ATOM 1230 CB LYS A 82 6.351 5.959 11.470 1.00 30.34 C ATOM 1231 CG LYS A 82 6.476 7.419 11.049 1.00 43.42 C ATOM 1232 CD LYS A 82 6.749 8.366 12.217 1.00 43.33 C ATOM 1233 CE LYS A 82 5.474 8.838 12.918 1.00 3.50 C ATOM 1234 NZ LYS A 82 4.787 7.752 13.668 1.00 10.20 N ATOM 0 H LYS A 82 8.346 5.039 10.186 1.00 71.33 H new ATOM 0 HA LYS A 82 8.009 6.118 12.847 1.00 41.01 H new ATOM 0 HB2 LYS A 82 6.110 5.357 10.594 1.00 30.34 H new ATOM 0 HB3 LYS A 82 5.516 5.860 12.164 1.00 30.34 H new ATOM 0 HG2 LYS A 82 7.281 7.512 10.320 1.00 43.42 H new ATOM 0 HG3 LYS A 82 5.557 7.725 10.550 1.00 43.42 H new ATOM 0 HD2 LYS A 82 7.390 7.864 12.942 1.00 43.33 H new ATOM 0 HD3 LYS A 82 7.299 9.234 11.852 1.00 43.33 H new ATOM 0 HE2 LYS A 82 5.722 9.646 13.606 1.00 3.50 H new ATOM 0 HE3 LYS A 82 4.789 9.249 12.176 1.00 3.50 H new ATOM 0 HZ1 LYS A 82 4.126 8.169 14.355 1.00 10.20 H new ATOM 0 HZ2 LYS A 82 4.261 7.150 13.003 1.00 10.20 H new ATOM 0 HZ3 LYS A 82 5.493 7.177 14.171 1.00 10.20 H new ATOM 1248 N GLN A 83 7.409 2.972 12.206 1.00 53.54 N ATOM 1249 CA GLN A 83 7.203 1.621 12.778 1.00 54.11 C ATOM 1250 C GLN A 83 5.747 1.321 13.148 1.00 14.23 C ATOM 1251 O GLN A 83 5.471 0.285 13.760 1.00 62.43 O ATOM 1252 CB GLN A 83 8.091 1.391 14.014 1.00 32.31 C ATOM 1253 CG GLN A 83 9.558 1.198 13.704 1.00 25.54 C ATOM 1254 CD GLN A 83 9.797 -0.064 12.919 1.00 51.10 C ATOM 1255 OE1 GLN A 83 9.969 -1.120 13.485 1.00 40.13 O ATOM 1256 NE2 GLN A 83 9.820 0.043 11.612 1.00 4.41 N ATOM 0 H GLN A 83 7.676 2.949 11.222 1.00 53.54 H new ATOM 0 HA GLN A 83 7.487 0.935 11.980 1.00 54.11 H new ATOM 0 HB2 GLN A 83 7.984 2.242 14.686 1.00 32.31 H new ATOM 0 HB3 GLN A 83 7.727 0.514 14.549 1.00 32.31 H new ATOM 0 HG2 GLN A 83 9.927 2.054 13.139 1.00 25.54 H new ATOM 0 HG3 GLN A 83 10.125 1.162 14.634 1.00 25.54 H new ATOM 0 HE21 GLN A 83 9.671 0.951 11.172 1.00 4.41 H new ATOM 0 HE22 GLN A 83 9.987 -0.782 11.036 1.00 4.41 H new ATOM 1265 N ASP A 84 4.814 2.170 12.729 1.00 13.15 N ATOM 1266 CA ASP A 84 3.439 2.039 13.170 1.00 63.31 C ATOM 1267 C ASP A 84 2.476 2.367 12.035 1.00 24.30 C ATOM 1268 O ASP A 84 2.487 3.483 11.509 1.00 35.31 O ATOM 1269 CB ASP A 84 3.176 2.943 14.379 1.00 41.32 C ATOM 1270 CG ASP A 84 1.955 2.509 15.158 1.00 20.31 C ATOM 1271 OD1 ASP A 84 0.834 2.832 14.741 1.00 24.04 O ATOM 1272 OD2 ASP A 84 2.114 1.847 16.201 1.00 61.11 O ATOM 0 H ASP A 84 4.987 2.947 12.091 1.00 13.15 H new ATOM 0 HA ASP A 84 3.272 1.005 13.470 1.00 63.31 H new ATOM 0 HB2 ASP A 84 4.047 2.933 15.035 1.00 41.32 H new ATOM 0 HB3 ASP A 84 3.043 3.971 14.041 1.00 41.32 H new ATOM 1277 N PRO A 85 1.634 1.383 11.640 1.00 75.33 N ATOM 1278 CA PRO A 85 0.676 1.531 10.531 1.00 2.13 C ATOM 1279 C PRO A 85 -0.578 2.374 10.829 1.00 23.42 C ATOM 1280 O PRO A 85 -1.409 2.547 9.945 1.00 24.30 O ATOM 1281 CB PRO A 85 0.262 0.093 10.242 1.00 25.22 C ATOM 1282 CG PRO A 85 0.433 -0.631 11.523 1.00 5.20 C ATOM 1283 CD PRO A 85 1.601 0.009 12.205 1.00 13.02 C ATOM 0 HA PRO A 85 1.149 2.070 9.710 1.00 2.13 H new ATOM 0 HB2 PRO A 85 -0.771 0.043 9.898 1.00 25.22 H new ATOM 0 HB3 PRO A 85 0.881 -0.344 9.458 1.00 25.22 H new ATOM 0 HG2 PRO A 85 -0.465 -0.557 12.136 1.00 5.20 H new ATOM 0 HG3 PRO A 85 0.615 -1.692 11.351 1.00 5.20 H new ATOM 0 HD2 PRO A 85 1.473 0.025 13.287 1.00 13.02 H new ATOM 0 HD3 PRO A 85 2.527 -0.529 12.002 1.00 13.02 H new ATOM 1291 N THR A 86 -0.740 2.889 12.046 1.00 32.55 N ATOM 1292 CA THR A 86 -1.895 3.734 12.339 1.00 35.42 C ATOM 1293 C THR A 86 -1.478 5.101 12.908 1.00 42.11 C ATOM 1294 O THR A 86 -2.287 6.034 12.932 1.00 65.31 O ATOM 1295 CB THR A 86 -2.938 3.015 13.260 1.00 31.32 C ATOM 1296 OG1 THR A 86 -4.147 3.781 13.357 1.00 12.11 O ATOM 1297 CG2 THR A 86 -2.416 2.752 14.658 1.00 23.41 C ATOM 0 H THR A 86 -0.103 2.741 12.828 1.00 32.55 H new ATOM 0 HA THR A 86 -2.392 3.921 11.387 1.00 35.42 H new ATOM 0 HB THR A 86 -3.135 2.053 12.788 1.00 31.32 H new ATOM 0 HG1 THR A 86 -4.876 3.300 12.911 1.00 12.11 H new ATOM 0 HG21 THR A 86 -3.186 2.252 15.246 1.00 23.41 H new ATOM 0 HG22 THR A 86 -1.532 2.117 14.603 1.00 23.41 H new ATOM 0 HG23 THR A 86 -2.154 3.698 15.132 1.00 23.41 H new ATOM 1305 N ASP A 87 -0.213 5.238 13.323 1.00 50.24 N ATOM 1306 CA ASP A 87 0.283 6.510 13.840 1.00 3.11 C ATOM 1307 C ASP A 87 0.718 7.406 12.683 1.00 4.43 C ATOM 1308 O ASP A 87 1.823 7.277 12.141 1.00 34.43 O ATOM 1309 CB ASP A 87 1.436 6.306 14.833 1.00 61.22 C ATOM 1310 CG ASP A 87 1.738 7.552 15.649 1.00 63.11 C ATOM 1311 OD1 ASP A 87 2.456 8.439 15.152 1.00 51.44 O ATOM 1312 OD2 ASP A 87 1.271 7.641 16.800 1.00 54.02 O ATOM 0 H ASP A 87 0.478 4.488 13.310 1.00 50.24 H new ATOM 0 HA ASP A 87 -0.528 6.996 14.382 1.00 3.11 H new ATOM 0 HB2 ASP A 87 1.188 5.487 15.508 1.00 61.22 H new ATOM 0 HB3 ASP A 87 2.331 6.009 14.287 1.00 61.22 H new ATOM 1317 N ILE A 88 -0.197 8.287 12.308 1.00 22.14 N ATOM 1318 CA ILE A 88 -0.025 9.193 11.184 1.00 4.21 C ATOM 1319 C ILE A 88 -1.032 10.348 11.326 1.00 75.44 C ATOM 1320 O ILE A 88 -2.127 10.164 11.873 1.00 1.34 O ATOM 1321 CB ILE A 88 -0.188 8.435 9.820 1.00 52.21 C ATOM 1322 CG1 ILE A 88 0.100 9.351 8.616 1.00 12.05 C ATOM 1323 CG2 ILE A 88 -1.571 7.797 9.696 1.00 74.23 C ATOM 1324 CD1 ILE A 88 1.538 9.831 8.522 1.00 43.20 C ATOM 0 H ILE A 88 -1.093 8.394 12.784 1.00 22.14 H new ATOM 0 HA ILE A 88 0.985 9.603 11.189 1.00 4.21 H new ATOM 0 HB ILE A 88 0.554 7.637 9.812 1.00 52.21 H new ATOM 0 HG12 ILE A 88 -0.152 8.817 7.700 1.00 12.05 H new ATOM 0 HG13 ILE A 88 -0.557 10.219 8.670 1.00 12.05 H new ATOM 0 HG21 ILE A 88 -1.649 7.281 8.739 1.00 74.23 H new ATOM 0 HG22 ILE A 88 -1.716 7.083 10.507 1.00 74.23 H new ATOM 0 HG23 ILE A 88 -2.336 8.572 9.753 1.00 74.23 H new ATOM 0 HD11 ILE A 88 1.652 10.470 7.646 1.00 43.20 H new ATOM 0 HD12 ILE A 88 1.792 10.396 9.419 1.00 43.20 H new ATOM 0 HD13 ILE A 88 2.203 8.972 8.434 1.00 43.20 H new ATOM 1336 N LYS A 89 -0.644 11.536 10.886 1.00 41.53 N ATOM 1337 CA LYS A 89 -1.493 12.708 10.996 1.00 41.45 C ATOM 1338 C LYS A 89 -1.723 13.332 9.619 1.00 62.04 C ATOM 1339 O LYS A 89 -0.770 13.735 8.940 1.00 1.44 O ATOM 1340 CB LYS A 89 -0.851 13.719 11.959 1.00 33.42 C ATOM 1341 CG LYS A 89 -1.699 14.955 12.252 1.00 72.13 C ATOM 1342 CD LYS A 89 -3.029 14.606 12.910 1.00 72.11 C ATOM 1343 CE LYS A 89 -3.793 15.859 13.294 1.00 13.43 C ATOM 1344 NZ LYS A 89 -5.167 15.556 13.760 1.00 74.13 N ATOM 0 H LYS A 89 0.260 11.712 10.447 1.00 41.53 H new ATOM 0 HA LYS A 89 -2.464 12.414 11.394 1.00 41.45 H new ATOM 0 HB2 LYS A 89 -0.633 13.214 12.900 1.00 33.42 H new ATOM 0 HB3 LYS A 89 0.103 14.041 11.542 1.00 33.42 H new ATOM 0 HG2 LYS A 89 -1.141 15.629 12.902 1.00 72.13 H new ATOM 0 HG3 LYS A 89 -1.887 15.492 11.322 1.00 72.13 H new ATOM 0 HD2 LYS A 89 -3.630 14.005 12.227 1.00 72.11 H new ATOM 0 HD3 LYS A 89 -2.851 13.998 13.797 1.00 72.11 H new ATOM 0 HE2 LYS A 89 -3.252 16.386 14.080 1.00 13.43 H new ATOM 0 HE3 LYS A 89 -3.842 16.530 12.436 1.00 13.43 H new ATOM 0 HZ1 LYS A 89 -5.651 16.441 14.011 1.00 74.13 H new ATOM 0 HZ2 LYS A 89 -5.693 15.077 13.002 1.00 74.13 H new ATOM 0 HZ3 LYS A 89 -5.122 14.937 14.594 1.00 74.13 H new ATOM 1358 N TYR A 90 -2.986 13.382 9.205 1.00 50.24 N ATOM 1359 CA TYR A 90 -3.352 14.051 7.961 1.00 70.14 C ATOM 1360 C TYR A 90 -4.056 15.360 8.259 1.00 52.50 C ATOM 1361 O TYR A 90 -4.685 15.520 9.306 1.00 14.15 O ATOM 1362 CB TYR A 90 -4.280 13.205 7.075 1.00 4.01 C ATOM 1363 CG TYR A 90 -3.878 11.759 6.917 1.00 50.23 C ATOM 1364 CD1 TYR A 90 -2.673 11.406 6.323 1.00 15.31 C ATOM 1365 CD2 TYR A 90 -4.719 10.748 7.348 1.00 2.05 C ATOM 1366 CE1 TYR A 90 -2.321 10.084 6.169 1.00 33.12 C ATOM 1367 CE2 TYR A 90 -4.372 9.425 7.197 1.00 12.32 C ATOM 1368 CZ TYR A 90 -3.175 9.099 6.606 1.00 3.43 C ATOM 1369 OH TYR A 90 -2.828 7.782 6.457 1.00 44.24 O ATOM 0 H TYR A 90 -3.770 12.969 9.710 1.00 50.24 H new ATOM 0 HA TYR A 90 -2.419 14.217 7.422 1.00 70.14 H new ATOM 0 HB2 TYR A 90 -5.286 13.242 7.492 1.00 4.01 H new ATOM 0 HB3 TYR A 90 -4.328 13.662 6.087 1.00 4.01 H new ATOM 0 HD1 TYR A 90 -2.003 12.179 5.977 1.00 15.31 H new ATOM 0 HD2 TYR A 90 -5.662 11.001 7.810 1.00 2.05 H new ATOM 0 HE1 TYR A 90 -1.380 9.822 5.708 1.00 33.12 H new ATOM 0 HE2 TYR A 90 -5.037 8.647 7.541 1.00 12.32 H new ATOM 0 HH TYR A 90 -1.853 7.693 6.504 1.00 44.24 H new ATOM 1379 N LYS A 91 -3.932 16.289 7.332 1.00 70.31 N ATOM 1380 CA LYS A 91 -4.666 17.544 7.379 1.00 52.34 C ATOM 1381 C LYS A 91 -5.259 17.805 6.001 1.00 75.50 C ATOM 1382 O LYS A 91 -4.681 18.520 5.183 1.00 23.31 O ATOM 1383 CB LYS A 91 -3.775 18.728 7.865 1.00 61.12 C ATOM 1384 CG LYS A 91 -2.241 18.533 7.774 1.00 75.35 C ATOM 1385 CD LYS A 91 -1.694 18.536 6.342 1.00 61.30 C ATOM 1386 CE LYS A 91 -1.788 19.906 5.672 1.00 2.44 C ATOM 1387 NZ LYS A 91 -0.876 20.906 6.279 1.00 63.10 N ATOM 0 H LYS A 91 -3.319 16.197 6.522 1.00 70.31 H new ATOM 0 HA LYS A 91 -5.469 17.465 8.111 1.00 52.34 H new ATOM 0 HB2 LYS A 91 -4.040 19.612 7.285 1.00 61.12 H new ATOM 0 HB3 LYS A 91 -4.029 18.940 8.904 1.00 61.12 H new ATOM 0 HG2 LYS A 91 -1.751 19.325 8.341 1.00 75.35 H new ATOM 0 HG3 LYS A 91 -1.977 17.589 8.251 1.00 75.35 H new ATOM 0 HD2 LYS A 91 -0.653 18.215 6.356 1.00 61.30 H new ATOM 0 HD3 LYS A 91 -2.245 17.808 5.747 1.00 61.30 H new ATOM 0 HE2 LYS A 91 -1.554 19.804 4.612 1.00 2.44 H new ATOM 0 HE3 LYS A 91 -2.814 20.269 5.739 1.00 2.44 H new ATOM 0 HZ1 LYS A 91 -1.053 21.839 5.856 1.00 63.10 H new ATOM 0 HZ2 LYS A 91 -1.045 20.953 7.304 1.00 63.10 H new ATOM 0 HZ3 LYS A 91 0.111 20.628 6.103 1.00 63.10 H new ATOM 1401 N ASP A 92 -6.412 17.197 5.729 1.00 31.11 N ATOM 1402 CA ASP A 92 -6.912 17.108 4.366 1.00 52.41 C ATOM 1403 C ASP A 92 -8.389 16.705 4.364 1.00 41.43 C ATOM 1404 O ASP A 92 -8.972 16.439 5.417 1.00 21.21 O ATOM 1405 CB ASP A 92 -6.066 16.081 3.600 1.00 74.43 C ATOM 1406 CG ASP A 92 -6.236 16.135 2.096 1.00 63.40 C ATOM 1407 OD1 ASP A 92 -6.122 17.226 1.514 1.00 34.14 O ATOM 1408 OD2 ASP A 92 -6.481 15.073 1.497 1.00 71.03 O ATOM 0 H ASP A 92 -7.011 16.763 6.431 1.00 31.11 H new ATOM 0 HA ASP A 92 -6.834 18.080 3.879 1.00 52.41 H new ATOM 0 HB2 ASP A 92 -5.015 16.240 3.842 1.00 74.43 H new ATOM 0 HB3 ASP A 92 -6.325 15.081 3.948 1.00 74.43 H new ATOM 1413 N ASN A 93 -8.974 16.663 3.167 1.00 20.12 N ATOM 1414 CA ASN A 93 -10.283 16.070 2.926 1.00 1.41 C ATOM 1415 C ASN A 93 -10.209 14.539 2.958 1.00 53.21 C ATOM 1416 O ASN A 93 -11.195 13.876 3.281 1.00 64.40 O ATOM 1417 CB ASN A 93 -10.810 16.508 1.553 1.00 13.13 C ATOM 1418 CG ASN A 93 -11.078 17.993 1.461 1.00 54.35 C ATOM 1419 OD1 ASN A 93 -10.194 18.777 1.125 1.00 65.45 O ATOM 1420 ND2 ASN A 93 -12.306 18.388 1.741 1.00 73.05 N ATOM 0 H ASN A 93 -8.542 17.047 2.326 1.00 20.12 H new ATOM 0 HA ASN A 93 -10.954 16.411 3.714 1.00 1.41 H new ATOM 0 HB2 ASN A 93 -10.086 16.228 0.788 1.00 13.13 H new ATOM 0 HB3 ASN A 93 -11.730 15.966 1.335 1.00 13.13 H new ATOM 0 HD21 ASN A 93 -12.550 19.377 1.682 1.00 73.05 H new ATOM 0 HD22 ASN A 93 -13.011 17.704 2.016 1.00 73.05 H new ATOM 1427 N ASP A 94 -9.033 13.989 2.635 1.00 43.32 N ATOM 1428 CA ASP A 94 -8.850 12.552 2.554 1.00 30.02 C ATOM 1429 C ASP A 94 -7.708 12.126 3.466 1.00 23.32 C ATOM 1430 O ASP A 94 -7.941 11.560 4.530 1.00 11.43 O ATOM 1431 CB ASP A 94 -8.540 12.099 1.117 1.00 61.13 C ATOM 1432 CG ASP A 94 -8.647 10.593 0.946 1.00 25.44 C ATOM 1433 OD1 ASP A 94 -7.679 9.879 1.274 1.00 42.43 O ATOM 1434 OD2 ASP A 94 -9.694 10.117 0.471 1.00 33.22 O ATOM 0 H ASP A 94 -8.194 14.530 2.426 1.00 43.32 H new ATOM 0 HA ASP A 94 -9.782 12.082 2.869 1.00 30.02 H new ATOM 0 HB2 ASP A 94 -9.228 12.589 0.428 1.00 61.13 H new ATOM 0 HB3 ASP A 94 -7.535 12.422 0.847 1.00 61.13 H new ATOM 1439 N GLY A 95 -6.484 12.484 3.089 1.00 63.31 N ATOM 1440 CA GLY A 95 -5.338 11.852 3.687 1.00 32.22 C ATOM 1441 C GLY A 95 -4.015 12.400 3.205 1.00 11.40 C ATOM 1442 O GLY A 95 -3.054 11.658 3.090 1.00 3.13 O ATOM 0 H GLY A 95 -6.274 13.194 2.387 1.00 63.31 H new ATOM 0 HA2 GLY A 95 -5.395 11.968 4.769 1.00 32.22 H new ATOM 0 HA3 GLY A 95 -5.375 10.783 3.478 1.00 32.22 H new ATOM 1446 N HIS A 96 -3.944 13.690 2.947 1.00 4.44 N ATOM 1447 CA HIS A 96 -2.673 14.318 2.623 1.00 13.22 C ATOM 1448 C HIS A 96 -1.969 14.693 3.912 1.00 61.01 C ATOM 1449 O HIS A 96 -2.531 15.368 4.773 1.00 23.00 O ATOM 1450 CB HIS A 96 -2.836 15.552 1.722 1.00 13.45 C ATOM 1451 CG HIS A 96 -3.068 15.240 0.271 1.00 1.25 C ATOM 1452 ND1 HIS A 96 -4.227 15.563 -0.394 1.00 53.52 N ATOM 1453 CD2 HIS A 96 -2.271 14.647 -0.643 1.00 45.11 C ATOM 1454 CE1 HIS A 96 -4.141 15.186 -1.650 1.00 64.24 C ATOM 1455 NE2 HIS A 96 -2.966 14.627 -1.829 1.00 42.11 N ATOM 0 H HIS A 96 -4.744 14.323 2.954 1.00 4.44 H new ATOM 0 HA HIS A 96 -2.076 13.601 2.059 1.00 13.22 H new ATOM 0 HB2 HIS A 96 -3.672 16.147 2.090 1.00 13.45 H new ATOM 0 HB3 HIS A 96 -1.942 16.170 1.809 1.00 13.45 H new ATOM 0 HD2 HIS A 96 -1.276 14.262 -0.475 1.00 45.11 H new ATOM 0 HE1 HIS A 96 -4.904 15.314 -2.404 1.00 64.24 H new ATOM 0 HE2 HIS A 96 -2.624 14.240 -2.708 1.00 42.11 H new ATOM 1464 N THR A 97 -0.745 14.232 4.032 1.00 4.22 N ATOM 1465 CA THR A 97 0.032 14.420 5.240 1.00 13.15 C ATOM 1466 C THR A 97 1.180 15.390 4.983 1.00 61.41 C ATOM 1467 O THR A 97 1.816 15.372 3.925 1.00 43.10 O ATOM 1468 CB THR A 97 0.539 13.065 5.817 1.00 15.03 C ATOM 1469 OG1 THR A 97 1.451 13.276 6.901 1.00 33.52 O ATOM 1470 CG2 THR A 97 1.197 12.204 4.757 1.00 1.44 C ATOM 0 H THR A 97 -0.259 13.717 3.298 1.00 4.22 H new ATOM 0 HA THR A 97 -0.618 14.856 5.998 1.00 13.15 H new ATOM 0 HB THR A 97 -0.339 12.535 6.186 1.00 15.03 H new ATOM 0 HG1 THR A 97 0.948 13.472 7.719 1.00 33.52 H new ATOM 0 HG21 THR A 97 1.535 11.270 5.205 1.00 1.44 H new ATOM 0 HG22 THR A 97 0.479 11.988 3.966 1.00 1.44 H new ATOM 0 HG23 THR A 97 2.051 12.734 4.336 1.00 1.44 H new ATOM 1478 N ASP A 98 1.426 16.240 5.967 1.00 12.13 N ATOM 1479 CA ASP A 98 2.427 17.295 5.860 1.00 25.24 C ATOM 1480 C ASP A 98 3.801 16.776 6.297 1.00 44.32 C ATOM 1481 O ASP A 98 4.833 17.374 6.004 1.00 24.43 O ATOM 1482 CB ASP A 98 1.994 18.469 6.742 1.00 31.54 C ATOM 1483 CG ASP A 98 2.562 19.800 6.303 1.00 22.43 C ATOM 1484 OD1 ASP A 98 1.963 20.424 5.408 1.00 1.42 O ATOM 1485 OD2 ASP A 98 3.583 20.231 6.864 1.00 40.35 O ATOM 0 H ASP A 98 0.939 16.220 6.863 1.00 12.13 H new ATOM 0 HA ASP A 98 2.508 17.622 4.823 1.00 25.24 H new ATOM 0 HB2 ASP A 98 0.906 18.530 6.742 1.00 31.54 H new ATOM 0 HB3 ASP A 98 2.302 18.273 7.769 1.00 31.54 H new ATOM 1490 N ALA A 99 3.793 15.611 6.940 1.00 62.13 N ATOM 1491 CA ALA A 99 4.967 15.073 7.615 1.00 43.31 C ATOM 1492 C ALA A 99 5.891 14.270 6.691 1.00 33.22 C ATOM 1493 O ALA A 99 6.906 13.746 7.139 1.00 74.44 O ATOM 1494 CB ALA A 99 4.513 14.215 8.778 1.00 53.24 C ATOM 0 H ALA A 99 2.969 15.013 7.007 1.00 62.13 H new ATOM 0 HA ALA A 99 5.558 15.920 7.965 1.00 43.31 H new ATOM 0 HB1 ALA A 99 5.384 13.807 9.291 1.00 53.24 H new ATOM 0 HB2 ALA A 99 3.934 14.822 9.474 1.00 53.24 H new ATOM 0 HB3 ALA A 99 3.894 13.398 8.407 1.00 53.24 H new ATOM 1500 N ILE A 100 5.543 14.162 5.408 1.00 24.43 N ATOM 1501 CA ILE A 100 6.387 13.455 4.437 1.00 31.34 C ATOM 1502 C ILE A 100 6.898 14.454 3.363 1.00 60.24 C ATOM 1503 O ILE A 100 7.732 14.112 2.519 1.00 41.10 O ATOM 1504 CB ILE A 100 5.610 12.256 3.783 1.00 41.20 C ATOM 1505 CG1 ILE A 100 4.914 11.411 4.867 1.00 72.12 C ATOM 1506 CG2 ILE A 100 6.551 11.360 2.975 1.00 4.24 C ATOM 1507 CD1 ILE A 100 4.158 10.199 4.352 1.00 20.13 C ATOM 0 H ILE A 100 4.686 14.553 5.016 1.00 24.43 H new ATOM 0 HA ILE A 100 7.248 13.034 4.956 1.00 31.34 H new ATOM 0 HB ILE A 100 4.863 12.678 3.111 1.00 41.20 H new ATOM 0 HG12 ILE A 100 5.665 11.075 5.582 1.00 72.12 H new ATOM 0 HG13 ILE A 100 4.219 12.049 5.412 1.00 72.12 H new ATOM 0 HG21 ILE A 100 5.984 10.540 2.535 1.00 4.24 H new ATOM 0 HG22 ILE A 100 7.018 11.944 2.182 1.00 4.24 H new ATOM 0 HG23 ILE A 100 7.322 10.957 3.631 1.00 4.24 H new ATOM 0 HD11 ILE A 100 3.704 9.670 5.190 1.00 20.13 H new ATOM 0 HD12 ILE A 100 3.379 10.522 3.662 1.00 20.13 H new ATOM 0 HD13 ILE A 100 4.848 9.533 3.834 1.00 20.13 H new ATOM 1519 N SER A 101 6.453 15.723 3.499 1.00 63.22 N ATOM 1520 CA SER A 101 6.709 16.826 2.536 1.00 35.35 C ATOM 1521 C SER A 101 6.097 16.569 1.149 1.00 53.15 C ATOM 1522 O SER A 101 5.009 17.070 0.838 1.00 52.33 O ATOM 1523 CB SER A 101 8.212 17.151 2.408 1.00 73.34 C ATOM 1524 OG SER A 101 8.796 17.398 3.669 1.00 63.23 O ATOM 0 H SER A 101 5.893 16.019 4.298 1.00 63.22 H new ATOM 0 HA SER A 101 6.206 17.697 2.956 1.00 35.35 H new ATOM 0 HB2 SER A 101 8.725 16.320 1.924 1.00 73.34 H new ATOM 0 HB3 SER A 101 8.344 18.023 1.768 1.00 73.34 H new ATOM 0 HG SER A 101 9.748 17.599 3.555 1.00 63.23 H new ATOM 1530 N GLY A 102 6.778 15.758 0.348 1.00 12.04 N ATOM 1531 CA GLY A 102 6.389 15.526 -1.031 1.00 22.24 C ATOM 1532 C GLY A 102 5.559 14.274 -1.234 1.00 34.42 C ATOM 1533 O GLY A 102 5.754 13.556 -2.219 1.00 34.21 O ATOM 0 H GLY A 102 7.611 15.246 0.638 1.00 12.04 H new ATOM 0 HA2 GLY A 102 5.823 16.387 -1.388 1.00 22.24 H new ATOM 0 HA3 GLY A 102 7.287 15.458 -1.645 1.00 22.24 H new ATOM 1537 N ALA A 103 4.659 13.985 -0.292 1.00 31.25 N ATOM 1538 CA ALA A 103 3.636 12.964 -0.490 1.00 34.34 C ATOM 1539 C ALA A 103 2.492 13.551 -1.310 1.00 13.42 C ATOM 1540 O ALA A 103 1.614 14.244 -0.786 1.00 21.03 O ATOM 1541 CB ALA A 103 3.143 12.423 0.845 1.00 44.33 C ATOM 0 H ALA A 103 4.620 14.447 0.617 1.00 31.25 H new ATOM 0 HA ALA A 103 4.065 12.124 -1.037 1.00 34.34 H new ATOM 0 HB1 ALA A 103 2.381 11.663 0.671 1.00 44.33 H new ATOM 0 HB2 ALA A 103 3.978 11.981 1.389 1.00 44.33 H new ATOM 0 HB3 ALA A 103 2.717 13.236 1.432 1.00 44.33 H new ATOM 1547 N THR A 104 2.544 13.286 -2.605 1.00 73.21 N ATOM 1548 CA THR A 104 1.706 13.956 -3.592 1.00 72.53 C ATOM 1549 C THR A 104 0.270 13.431 -3.615 1.00 62.44 C ATOM 1550 O THR A 104 -0.675 14.211 -3.721 1.00 51.45 O ATOM 1551 CB THR A 104 2.337 13.800 -4.981 1.00 14.33 C ATOM 1552 OG1 THR A 104 2.699 12.427 -5.185 1.00 11.31 O ATOM 1553 CG2 THR A 104 3.571 14.679 -5.119 1.00 4.23 C ATOM 0 H THR A 104 3.175 12.593 -3.007 1.00 73.21 H new ATOM 0 HA THR A 104 1.651 15.007 -3.309 1.00 72.53 H new ATOM 0 HB THR A 104 1.610 14.110 -5.731 1.00 14.33 H new ATOM 0 HG1 THR A 104 2.348 12.121 -6.047 1.00 11.31 H new ATOM 0 HG21 THR A 104 4.000 14.550 -6.113 1.00 4.23 H new ATOM 0 HG22 THR A 104 3.292 15.723 -4.977 1.00 4.23 H new ATOM 0 HG23 THR A 104 4.306 14.394 -4.367 1.00 4.23 H new ATOM 1561 N ILE A 105 0.124 12.115 -3.505 1.00 24.14 N ATOM 1562 CA ILE A 105 -1.178 11.461 -3.517 1.00 31.23 C ATOM 1563 C ILE A 105 -1.631 11.246 -2.060 1.00 12.01 C ATOM 1564 O ILE A 105 -0.794 11.278 -1.151 1.00 54.31 O ATOM 1565 CB ILE A 105 -1.080 10.133 -4.348 1.00 71.03 C ATOM 1566 CG1 ILE A 105 -2.484 9.562 -4.719 1.00 65.30 C ATOM 1567 CG2 ILE A 105 -0.173 9.102 -3.656 1.00 54.45 C ATOM 1568 CD1 ILE A 105 -2.973 8.356 -3.923 1.00 52.15 C ATOM 0 H ILE A 105 0.908 11.471 -3.405 1.00 24.14 H new ATOM 0 HA ILE A 105 -1.936 12.075 -4.003 1.00 31.23 H new ATOM 0 HB ILE A 105 -0.603 10.377 -5.297 1.00 71.03 H new ATOM 0 HG12 ILE A 105 -3.216 10.362 -4.606 1.00 65.30 H new ATOM 0 HG13 ILE A 105 -2.471 9.289 -5.774 1.00 65.30 H new ATOM 0 HG21 ILE A 105 -0.128 8.195 -4.259 1.00 54.45 H new ATOM 0 HG22 ILE A 105 0.830 9.515 -3.546 1.00 54.45 H new ATOM 0 HG23 ILE A 105 -0.577 8.864 -2.672 1.00 54.45 H new ATOM 0 HD11 ILE A 105 -3.959 8.060 -4.280 1.00 52.15 H new ATOM 0 HD12 ILE A 105 -2.276 7.528 -4.053 1.00 52.15 H new ATOM 0 HD13 ILE A 105 -3.033 8.617 -2.867 1.00 52.15 H new ATOM 1580 N LYS A 106 -2.947 11.109 -1.823 1.00 60.44 N ATOM 1581 CA LYS A 106 -3.461 10.867 -0.480 1.00 21.35 C ATOM 1582 C LYS A 106 -3.011 9.511 0.085 1.00 32.12 C ATOM 1583 O LYS A 106 -3.153 8.452 -0.523 1.00 0.13 O ATOM 1584 CB LYS A 106 -4.985 11.079 -0.405 1.00 3.23 C ATOM 1585 CG LYS A 106 -5.797 10.666 -1.638 1.00 21.44 C ATOM 1586 CD LYS A 106 -6.077 9.172 -1.690 1.00 64.52 C ATOM 1587 CE LYS A 106 -7.161 8.836 -2.703 1.00 43.23 C ATOM 1588 NZ LYS A 106 -8.476 9.420 -2.314 1.00 4.24 N ATOM 0 H LYS A 106 -3.665 11.163 -2.546 1.00 60.44 H new ATOM 0 HA LYS A 106 -3.016 11.617 0.174 1.00 21.35 H new ATOM 0 HB2 LYS A 106 -5.364 10.525 0.454 1.00 3.23 H new ATOM 0 HB3 LYS A 106 -5.173 12.135 -0.211 1.00 3.23 H new ATOM 0 HG2 LYS A 106 -6.743 11.208 -1.642 1.00 21.44 H new ATOM 0 HG3 LYS A 106 -5.257 10.961 -2.538 1.00 21.44 H new ATOM 0 HD2 LYS A 106 -5.161 8.639 -1.947 1.00 64.52 H new ATOM 0 HD3 LYS A 106 -6.382 8.825 -0.703 1.00 64.52 H new ATOM 0 HE2 LYS A 106 -6.872 9.212 -3.684 1.00 43.23 H new ATOM 0 HE3 LYS A 106 -7.255 7.754 -2.791 1.00 43.23 H new ATOM 0 HZ1 LYS A 106 -9.233 8.973 -2.870 1.00 4.24 H new ATOM 0 HZ2 LYS A 106 -8.645 9.252 -1.302 1.00 4.24 H new ATOM 0 HZ3 LYS A 106 -8.469 10.443 -2.498 1.00 4.24 H new ATOM 1602 N VAL A 107 -2.464 9.611 1.278 1.00 53.01 N ATOM 1603 CA VAL A 107 -1.714 8.557 1.952 1.00 0.42 C ATOM 1604 C VAL A 107 -2.630 7.738 2.890 1.00 4.30 C ATOM 1605 O VAL A 107 -2.205 6.730 3.472 1.00 14.11 O ATOM 1606 CB VAL A 107 -0.537 9.245 2.730 1.00 53.44 C ATOM 1607 CG1 VAL A 107 0.336 8.286 3.510 1.00 54.34 C ATOM 1608 CG2 VAL A 107 0.340 10.024 1.772 1.00 14.21 C ATOM 0 H VAL A 107 -2.529 10.464 1.834 1.00 53.01 H new ATOM 0 HA VAL A 107 -1.312 7.846 1.230 1.00 0.42 H new ATOM 0 HB VAL A 107 -1.017 9.904 3.454 1.00 53.44 H new ATOM 0 HG11 VAL A 107 1.124 8.842 4.018 1.00 54.34 H new ATOM 0 HG12 VAL A 107 -0.270 7.760 4.248 1.00 54.34 H new ATOM 0 HG13 VAL A 107 0.784 7.564 2.827 1.00 54.34 H new ATOM 0 HG21 VAL A 107 1.152 10.496 2.324 1.00 14.21 H new ATOM 0 HG22 VAL A 107 0.755 9.347 1.025 1.00 14.21 H new ATOM 0 HG23 VAL A 107 -0.255 10.791 1.276 1.00 14.21 H new ATOM 1618 N LYS A 108 -3.910 8.146 2.978 1.00 21.41 N ATOM 1619 CA LYS A 108 -4.868 7.553 3.919 1.00 1.31 C ATOM 1620 C LYS A 108 -5.041 6.052 3.698 1.00 32.24 C ATOM 1621 O LYS A 108 -5.007 5.293 4.656 1.00 4.04 O ATOM 1622 CB LYS A 108 -6.228 8.247 3.838 1.00 13.04 C ATOM 1623 CG LYS A 108 -7.157 7.871 4.984 1.00 0.21 C ATOM 1624 CD LYS A 108 -8.545 8.444 4.799 1.00 42.44 C ATOM 1625 CE LYS A 108 -9.412 8.195 6.021 1.00 73.32 C ATOM 1626 NZ LYS A 108 -9.730 6.757 6.202 1.00 20.12 N ATOM 0 H LYS A 108 -4.303 8.890 2.402 1.00 21.41 H new ATOM 0 HA LYS A 108 -4.452 7.702 4.915 1.00 1.31 H new ATOM 0 HB2 LYS A 108 -6.079 9.327 3.838 1.00 13.04 H new ATOM 0 HB3 LYS A 108 -6.705 7.991 2.892 1.00 13.04 H new ATOM 0 HG2 LYS A 108 -7.220 6.785 5.059 1.00 0.21 H new ATOM 0 HG3 LYS A 108 -6.738 8.231 5.924 1.00 0.21 H new ATOM 0 HD2 LYS A 108 -8.476 9.516 4.611 1.00 42.44 H new ATOM 0 HD3 LYS A 108 -9.012 7.996 3.922 1.00 42.44 H new ATOM 0 HE2 LYS A 108 -8.900 8.566 6.909 1.00 73.32 H new ATOM 0 HE3 LYS A 108 -10.339 8.761 5.928 1.00 73.32 H new ATOM 0 HZ1 LYS A 108 -10.206 6.619 7.116 1.00 20.12 H new ATOM 0 HZ2 LYS A 108 -10.356 6.441 5.434 1.00 20.12 H new ATOM 0 HZ3 LYS A 108 -8.851 6.202 6.182 1.00 20.12 H new ATOM 1640 N LYS A 109 -5.143 5.645 2.426 1.00 61.44 N ATOM 1641 CA LYS A 109 -5.342 4.243 2.054 1.00 55.41 C ATOM 1642 C LYS A 109 -4.127 3.366 2.394 1.00 2.15 C ATOM 1643 O LYS A 109 -4.297 2.199 2.727 1.00 63.50 O ATOM 1644 CB LYS A 109 -5.660 4.152 0.561 1.00 1.12 C ATOM 1645 CG LYS A 109 -5.853 2.728 0.047 1.00 41.42 C ATOM 1646 CD LYS A 109 -6.095 2.691 -1.442 1.00 31.23 C ATOM 1647 CE LYS A 109 -7.346 3.439 -1.866 1.00 70.22 C ATOM 1648 NZ LYS A 109 -7.413 3.597 -3.343 1.00 71.02 N ATOM 0 H LYS A 109 -5.090 6.279 1.629 1.00 61.44 H new ATOM 0 HA LYS A 109 -6.180 3.862 2.638 1.00 55.41 H new ATOM 0 HB2 LYS A 109 -6.565 4.725 0.358 1.00 1.12 H new ATOM 0 HB3 LYS A 109 -4.853 4.622 -0.000 1.00 1.12 H new ATOM 0 HG2 LYS A 109 -4.971 2.134 0.285 1.00 41.42 H new ATOM 0 HG3 LYS A 109 -6.696 2.268 0.563 1.00 41.42 H new ATOM 0 HD2 LYS A 109 -5.233 3.119 -1.954 1.00 31.23 H new ATOM 0 HD3 LYS A 109 -6.174 1.653 -1.765 1.00 31.23 H new ATOM 0 HE2 LYS A 109 -8.228 2.902 -1.516 1.00 70.22 H new ATOM 0 HE3 LYS A 109 -7.362 4.421 -1.393 1.00 70.22 H new ATOM 0 HZ1 LYS A 109 -8.398 3.488 -3.660 1.00 71.02 H new ATOM 0 HZ2 LYS A 109 -7.067 4.542 -3.607 1.00 71.02 H new ATOM 0 HZ3 LYS A 109 -6.821 2.872 -3.797 1.00 71.02 H new ATOM 1662 N PHE A 110 -2.915 3.932 2.319 1.00 31.43 N ATOM 1663 CA PHE A 110 -1.691 3.193 2.642 1.00 72.25 C ATOM 1664 C PHE A 110 -1.691 2.743 4.099 1.00 2.51 C ATOM 1665 O PHE A 110 -1.483 1.568 4.375 1.00 61.44 O ATOM 1666 CB PHE A 110 -0.439 4.038 2.338 1.00 4.53 C ATOM 1667 CG PHE A 110 0.840 3.448 2.872 1.00 70.44 C ATOM 1668 CD1 PHE A 110 1.346 2.267 2.368 1.00 54.24 C ATOM 1669 CD2 PHE A 110 1.517 4.071 3.898 1.00 72.43 C ATOM 1670 CE1 PHE A 110 2.498 1.718 2.888 1.00 52.43 C ATOM 1671 CE2 PHE A 110 2.671 3.530 4.414 1.00 61.12 C ATOM 1672 CZ PHE A 110 3.162 2.352 3.906 1.00 24.34 C ATOM 0 H PHE A 110 -2.758 4.900 2.037 1.00 31.43 H new ATOM 0 HA PHE A 110 -1.665 2.304 2.011 1.00 72.25 H new ATOM 0 HB2 PHE A 110 -0.348 4.160 1.259 1.00 4.53 H new ATOM 0 HB3 PHE A 110 -0.573 5.033 2.761 1.00 4.53 H new ATOM 0 HD1 PHE A 110 0.834 1.768 1.558 1.00 54.24 H new ATOM 0 HD2 PHE A 110 1.136 4.997 4.302 1.00 72.43 H new ATOM 0 HE1 PHE A 110 2.878 0.787 2.493 1.00 52.43 H new ATOM 0 HE2 PHE A 110 3.191 4.031 5.218 1.00 61.12 H new ATOM 0 HZ PHE A 110 4.069 1.926 4.308 1.00 24.34 H new ATOM 1682 N PHE A 111 -1.947 3.682 5.008 1.00 55.11 N ATOM 1683 CA PHE A 111 -1.983 3.377 6.431 1.00 14.02 C ATOM 1684 C PHE A 111 -3.237 2.591 6.808 1.00 12.34 C ATOM 1685 O PHE A 111 -3.196 1.793 7.729 1.00 65.01 O ATOM 1686 CB PHE A 111 -1.853 4.655 7.260 1.00 73.13 C ATOM 1687 CG PHE A 111 -0.436 5.180 7.343 1.00 1.50 C ATOM 1688 CD1 PHE A 111 0.409 4.764 8.359 1.00 42.32 C ATOM 1689 CD2 PHE A 111 0.050 6.082 6.414 1.00 43.43 C ATOM 1690 CE1 PHE A 111 1.703 5.237 8.446 1.00 53.24 C ATOM 1691 CE2 PHE A 111 1.347 6.557 6.498 1.00 23.01 C ATOM 1692 CZ PHE A 111 2.173 6.132 7.514 1.00 2.03 C ATOM 0 H PHE A 111 -2.132 4.659 4.781 1.00 55.11 H new ATOM 0 HA PHE A 111 -1.128 2.739 6.657 1.00 14.02 H new ATOM 0 HB2 PHE A 111 -2.492 5.425 6.828 1.00 73.13 H new ATOM 0 HB3 PHE A 111 -2.221 4.464 8.268 1.00 73.13 H new ATOM 0 HD1 PHE A 111 0.050 4.059 9.094 1.00 42.32 H new ATOM 0 HD2 PHE A 111 -0.591 6.420 5.613 1.00 43.43 H new ATOM 0 HE1 PHE A 111 2.347 4.904 9.247 1.00 53.24 H new ATOM 0 HE2 PHE A 111 1.712 7.262 5.766 1.00 23.01 H new ATOM 0 HZ PHE A 111 3.186 6.500 7.579 1.00 2.03 H new ATOM 1702 N ASP A 112 -4.325 2.778 6.055 1.00 45.04 N ATOM 1703 CA ASP A 112 -5.569 2.020 6.254 1.00 14.11 C ATOM 1704 C ASP A 112 -5.372 0.540 5.950 1.00 74.14 C ATOM 1705 O ASP A 112 -5.802 -0.321 6.717 1.00 44.32 O ATOM 1706 CB ASP A 112 -6.688 2.567 5.364 1.00 51.43 C ATOM 1707 CG ASP A 112 -7.663 3.452 6.117 1.00 54.43 C ATOM 1708 OD1 ASP A 112 -8.340 2.949 7.030 1.00 40.33 O ATOM 1709 OD2 ASP A 112 -7.761 4.649 5.789 1.00 14.24 O ATOM 0 H ASP A 112 -4.371 3.455 5.293 1.00 45.04 H new ATOM 0 HA ASP A 112 -5.848 2.133 7.302 1.00 14.11 H new ATOM 0 HB2 ASP A 112 -6.248 3.135 4.544 1.00 51.43 H new ATOM 0 HB3 ASP A 112 -7.231 1.734 4.919 1.00 51.43 H new ATOM 1714 N LEU A 113 -4.690 0.262 4.844 1.00 41.25 N ATOM 1715 CA LEU A 113 -4.427 -1.102 4.412 1.00 61.34 C ATOM 1716 C LEU A 113 -3.274 -1.733 5.184 1.00 62.42 C ATOM 1717 O LEU A 113 -3.217 -2.944 5.310 1.00 60.30 O ATOM 1718 CB LEU A 113 -4.163 -1.165 2.897 1.00 72.14 C ATOM 1719 CG LEU A 113 -5.378 -1.476 2.007 1.00 25.42 C ATOM 1720 CD1 LEU A 113 -6.044 -2.752 2.469 1.00 44.23 C ATOM 1721 CD2 LEU A 113 -6.386 -0.336 1.989 1.00 45.45 C ATOM 0 H LEU A 113 -4.306 0.975 4.225 1.00 41.25 H new ATOM 0 HA LEU A 113 -5.324 -1.682 4.629 1.00 61.34 H new ATOM 0 HB2 LEU A 113 -3.744 -0.209 2.583 1.00 72.14 H new ATOM 0 HB3 LEU A 113 -3.401 -1.923 2.713 1.00 72.14 H new ATOM 0 HG LEU A 113 -5.013 -1.601 0.988 1.00 25.42 H new ATOM 0 HD11 LEU A 113 -6.903 -2.965 1.833 1.00 44.23 H new ATOM 0 HD12 LEU A 113 -5.334 -3.576 2.407 1.00 44.23 H new ATOM 0 HD13 LEU A 113 -6.376 -2.636 3.501 1.00 44.23 H new ATOM 0 HD21 LEU A 113 -7.226 -0.603 1.347 1.00 45.45 H new ATOM 0 HD22 LEU A 113 -6.747 -0.153 3.001 1.00 45.45 H new ATOM 0 HD23 LEU A 113 -5.909 0.566 1.606 1.00 45.45 H new ATOM 1733 N ALA A 114 -2.363 -0.912 5.704 1.00 64.42 N ATOM 1734 CA ALA A 114 -1.304 -1.398 6.587 1.00 30.35 C ATOM 1735 C ALA A 114 -1.858 -1.835 7.950 1.00 62.15 C ATOM 1736 O ALA A 114 -1.339 -2.764 8.557 1.00 53.51 O ATOM 1737 CB ALA A 114 -0.227 -0.343 6.750 1.00 53.02 C ATOM 0 H ALA A 114 -2.337 0.093 5.529 1.00 64.42 H new ATOM 0 HA ALA A 114 -0.860 -2.279 6.123 1.00 30.35 H new ATOM 0 HB1 ALA A 114 0.554 -0.720 7.410 1.00 53.02 H new ATOM 0 HB2 ALA A 114 0.203 -0.108 5.776 1.00 53.02 H new ATOM 0 HB3 ALA A 114 -0.663 0.558 7.181 1.00 53.02 H new ATOM 1743 N GLN A 115 -2.936 -1.180 8.406 1.00 44.32 N ATOM 1744 CA GLN A 115 -3.657 -1.590 9.627 1.00 60.42 C ATOM 1745 C GLN A 115 -4.325 -2.951 9.437 1.00 12.42 C ATOM 1746 O GLN A 115 -4.383 -3.764 10.359 1.00 72.41 O ATOM 1747 CB GLN A 115 -4.722 -0.555 9.993 1.00 1.21 C ATOM 1748 CG GLN A 115 -4.162 0.713 10.600 1.00 33.43 C ATOM 1749 CD GLN A 115 -5.204 1.809 10.721 1.00 64.44 C ATOM 1750 OE1 GLN A 115 -5.916 1.896 11.712 1.00 62.42 O ATOM 1751 NE2 GLN A 115 -5.272 2.675 9.728 1.00 75.43 N ATOM 0 H GLN A 115 -3.332 -0.360 7.947 1.00 44.32 H new ATOM 0 HA GLN A 115 -2.927 -1.662 10.433 1.00 60.42 H new ATOM 0 HB2 GLN A 115 -5.288 -0.298 9.098 1.00 1.21 H new ATOM 0 HB3 GLN A 115 -5.424 -1.003 10.696 1.00 1.21 H new ATOM 0 HG2 GLN A 115 -3.757 0.491 11.587 1.00 33.43 H new ATOM 0 HG3 GLN A 115 -3.334 1.070 9.988 1.00 33.43 H new ATOM 0 HE21 GLN A 115 -4.662 2.570 8.917 1.00 75.43 H new ATOM 0 HE22 GLN A 115 -5.935 3.449 9.771 1.00 75.43 H new ATOM 1760 N LYS A 116 -4.810 -3.179 8.217 1.00 21.31 N ATOM 1761 CA LYS A 116 -5.445 -4.432 7.824 1.00 33.10 C ATOM 1762 C LYS A 116 -4.411 -5.549 7.603 1.00 72.35 C ATOM 1763 O LYS A 116 -4.744 -6.728 7.669 1.00 21.24 O ATOM 1764 CB LYS A 116 -6.297 -4.202 6.571 1.00 21.53 C ATOM 1765 CG LYS A 116 -7.490 -3.286 6.828 1.00 32.24 C ATOM 1766 CD LYS A 116 -8.197 -2.854 5.547 1.00 35.55 C ATOM 1767 CE LYS A 116 -8.851 -4.017 4.808 1.00 71.41 C ATOM 1768 NZ LYS A 116 -9.873 -4.708 5.634 1.00 21.12 N ATOM 0 H LYS A 116 -4.772 -2.489 7.466 1.00 21.31 H new ATOM 0 HA LYS A 116 -6.092 -4.764 8.636 1.00 33.10 H new ATOM 0 HB2 LYS A 116 -5.674 -3.769 5.788 1.00 21.53 H new ATOM 0 HB3 LYS A 116 -6.655 -5.162 6.199 1.00 21.53 H new ATOM 0 HG2 LYS A 116 -8.202 -3.799 7.474 1.00 32.24 H new ATOM 0 HG3 LYS A 116 -7.152 -2.400 7.366 1.00 32.24 H new ATOM 0 HD2 LYS A 116 -8.957 -2.112 5.790 1.00 35.55 H new ATOM 0 HD3 LYS A 116 -7.478 -2.369 4.887 1.00 35.55 H new ATOM 0 HE2 LYS A 116 -9.315 -3.648 3.894 1.00 71.41 H new ATOM 0 HE3 LYS A 116 -8.084 -4.732 4.510 1.00 71.41 H new ATOM 0 HZ1 LYS A 116 -10.428 -5.351 5.034 1.00 21.12 H new ATOM 0 HZ2 LYS A 116 -9.402 -5.255 6.383 1.00 21.12 H new ATOM 0 HZ3 LYS A 116 -10.505 -4.004 6.065 1.00 21.12 H new ATOM 1782 N ALA A 117 -3.172 -5.166 7.285 1.00 61.35 N ATOM 1783 CA ALA A 117 -2.085 -6.122 7.072 1.00 74.14 C ATOM 1784 C ALA A 117 -1.518 -6.652 8.392 1.00 24.40 C ATOM 1785 O ALA A 117 -1.278 -7.847 8.529 1.00 21.05 O ATOM 1786 CB ALA A 117 -0.978 -5.485 6.244 1.00 34.43 C ATOM 0 H ALA A 117 -2.896 -4.191 7.169 1.00 61.35 H new ATOM 0 HA ALA A 117 -2.500 -6.971 6.529 1.00 74.14 H new ATOM 0 HB1 ALA A 117 -0.175 -6.207 6.093 1.00 34.43 H new ATOM 0 HB2 ALA A 117 -1.377 -5.178 5.277 1.00 34.43 H new ATOM 0 HB3 ALA A 117 -0.587 -4.613 6.768 1.00 34.43 H new ATOM 1792 N LEU A 118 -1.329 -5.768 9.372 1.00 2.32 N ATOM 1793 CA LEU A 118 -0.708 -6.152 10.639 1.00 51.31 C ATOM 1794 C LEU A 118 -1.737 -6.381 11.750 1.00 44.13 C ATOM 1795 O LEU A 118 -1.375 -6.392 12.926 1.00 40.40 O ATOM 1796 CB LEU A 118 0.301 -5.089 11.094 1.00 42.34 C ATOM 1797 CG LEU A 118 1.550 -4.954 10.230 1.00 42.34 C ATOM 1798 CD1 LEU A 118 1.550 -3.629 9.505 1.00 3.23 C ATOM 1799 CD2 LEU A 118 2.795 -5.094 11.078 1.00 20.25 C ATOM 0 H LEU A 118 -1.596 -4.785 9.313 1.00 2.32 H new ATOM 0 HA LEU A 118 -0.194 -7.096 10.457 1.00 51.31 H new ATOM 0 HB2 LEU A 118 -0.204 -4.124 11.124 1.00 42.34 H new ATOM 0 HB3 LEU A 118 0.609 -5.319 12.114 1.00 42.34 H new ATOM 0 HG LEU A 118 1.546 -5.752 9.488 1.00 42.34 H new ATOM 0 HD11 LEU A 118 2.448 -3.549 8.893 1.00 3.23 H new ATOM 0 HD12 LEU A 118 0.669 -3.564 8.867 1.00 3.23 H new ATOM 0 HD13 LEU A 118 1.533 -2.817 10.232 1.00 3.23 H new ATOM 0 HD21 LEU A 118 3.678 -4.995 10.447 1.00 20.25 H new ATOM 0 HD22 LEU A 118 2.805 -4.315 11.841 1.00 20.25 H new ATOM 0 HD23 LEU A 118 2.800 -6.072 11.558 1.00 20.25 H new ATOM 1811 N LYS A 119 -3.002 -6.612 11.373 1.00 23.40 N ATOM 1812 CA LYS A 119 -4.090 -6.804 12.347 1.00 12.13 C ATOM 1813 C LYS A 119 -3.914 -8.084 13.173 1.00 33.44 C ATOM 1814 O LYS A 119 -4.200 -8.098 14.369 1.00 33.35 O ATOM 1815 CB LYS A 119 -5.457 -6.810 11.649 1.00 15.20 C ATOM 1816 CG LYS A 119 -5.588 -7.827 10.512 1.00 70.32 C ATOM 1817 CD LYS A 119 -7.034 -8.128 10.145 1.00 63.31 C ATOM 1818 CE LYS A 119 -7.808 -6.885 9.749 1.00 24.44 C ATOM 1819 NZ LYS A 119 -9.197 -7.218 9.353 1.00 40.40 N ATOM 0 H LYS A 119 -3.299 -6.671 10.399 1.00 23.40 H new ATOM 0 HA LYS A 119 -4.046 -5.960 13.035 1.00 12.13 H new ATOM 0 HB2 LYS A 119 -6.228 -7.014 12.392 1.00 15.20 H new ATOM 0 HB3 LYS A 119 -5.652 -5.814 11.252 1.00 15.20 H new ATOM 0 HG2 LYS A 119 -5.067 -7.449 9.632 1.00 70.32 H new ATOM 0 HG3 LYS A 119 -5.092 -8.753 10.802 1.00 70.32 H new ATOM 0 HD2 LYS A 119 -7.055 -8.842 9.321 1.00 63.31 H new ATOM 0 HD3 LYS A 119 -7.528 -8.604 10.992 1.00 63.31 H new ATOM 0 HE2 LYS A 119 -7.824 -6.183 10.583 1.00 24.44 H new ATOM 0 HE3 LYS A 119 -7.302 -6.387 8.922 1.00 24.44 H new ATOM 0 HZ1 LYS A 119 -9.701 -6.348 9.088 1.00 40.40 H new ATOM 0 HZ2 LYS A 119 -9.180 -7.869 8.542 1.00 40.40 H new ATOM 0 HZ3 LYS A 119 -9.686 -7.671 10.151 1.00 40.40 H new ATOM 1833 N ASP A 120 -3.424 -9.142 12.530 1.00 64.33 N ATOM 1834 CA ASP A 120 -3.150 -10.403 13.209 1.00 55.44 C ATOM 1835 C ASP A 120 -1.725 -10.427 13.730 1.00 61.10 C ATOM 1836 O ASP A 120 -1.445 -11.035 14.764 1.00 62.41 O ATOM 1837 CB ASP A 120 -3.347 -11.584 12.256 1.00 42.10 C ATOM 1838 CG ASP A 120 -4.767 -11.729 11.772 1.00 62.32 C ATOM 1839 OD1 ASP A 120 -5.576 -12.372 12.473 1.00 74.01 O ATOM 1840 OD2 ASP A 120 -5.075 -11.218 10.681 1.00 23.43 O ATOM 0 H ASP A 120 -3.208 -9.149 11.533 1.00 64.33 H new ATOM 0 HA ASP A 120 -3.847 -10.489 14.043 1.00 55.44 H new ATOM 0 HB2 ASP A 120 -2.688 -11.462 11.396 1.00 42.10 H new ATOM 0 HB3 ASP A 120 -3.047 -12.503 12.760 1.00 42.10 H new ATOM 1845 N ALA A 121 -0.846 -9.724 12.986 1.00 32.44 N ATOM 1846 CA ALA A 121 0.618 -9.730 13.163 1.00 41.14 C ATOM 1847 C ALA A 121 1.234 -11.148 13.142 1.00 4.33 C ATOM 1848 O ALA A 121 2.326 -11.371 13.672 1.00 32.01 O ATOM 1849 CB ALA A 121 1.013 -8.966 14.418 1.00 62.04 C ATOM 0 H ALA A 121 -1.147 -9.118 12.222 1.00 32.44 H new ATOM 0 HA ALA A 121 1.037 -9.216 12.298 1.00 41.14 H new ATOM 0 HB1 ALA A 121 2.097 -8.984 14.529 1.00 62.04 H new ATOM 0 HB2 ALA A 121 0.673 -7.933 14.338 1.00 62.04 H new ATOM 0 HB3 ALA A 121 0.552 -9.433 15.288 1.00 62.04 H new ATOM 1855 N GLU A 122 0.542 -12.085 12.480 1.00 55.34 N ATOM 1856 CA GLU A 122 1.007 -13.467 12.340 1.00 25.50 C ATOM 1857 C GLU A 122 0.771 -13.980 10.918 1.00 5.15 C ATOM 1858 O GLU A 122 0.863 -15.183 10.657 1.00 72.12 O ATOM 1859 CB GLU A 122 0.291 -14.383 13.339 1.00 63.13 C ATOM 1860 CG GLU A 122 0.654 -14.131 14.792 1.00 23.12 C ATOM 1861 CD GLU A 122 0.009 -15.123 15.721 1.00 73.24 C ATOM 1862 OE1 GLU A 122 0.580 -16.210 15.913 1.00 55.32 O ATOM 1863 OE2 GLU A 122 -1.074 -14.823 16.255 1.00 63.42 O ATOM 0 H GLU A 122 -0.354 -11.904 12.028 1.00 55.34 H new ATOM 0 HA GLU A 122 2.077 -13.479 12.548 1.00 25.50 H new ATOM 0 HB2 GLU A 122 -0.785 -14.260 13.219 1.00 63.13 H new ATOM 0 HB3 GLU A 122 0.523 -15.419 13.094 1.00 63.13 H new ATOM 0 HG2 GLU A 122 1.737 -14.179 14.907 1.00 23.12 H new ATOM 0 HG3 GLU A 122 0.348 -13.123 15.071 1.00 23.12 H new ATOM 1870 N LYS A 123 0.476 -13.058 10.002 1.00 22.13 N ATOM 1871 CA LYS A 123 0.221 -13.393 8.600 1.00 70.11 C ATOM 1872 C LYS A 123 1.550 -13.594 7.875 1.00 62.33 C ATOM 1873 O LYS A 123 2.434 -12.741 7.952 1.00 52.41 O ATOM 1874 CB LYS A 123 -0.598 -12.274 7.942 1.00 3.21 C ATOM 1875 CG LYS A 123 -1.926 -11.997 8.649 1.00 2.30 C ATOM 1876 CD LYS A 123 -2.633 -10.754 8.119 1.00 11.02 C ATOM 1877 CE LYS A 123 -3.159 -10.929 6.699 1.00 63.32 C ATOM 1878 NZ LYS A 123 -4.219 -11.967 6.616 1.00 71.25 N ATOM 0 H LYS A 123 0.407 -12.062 10.209 1.00 22.13 H new ATOM 0 HA LYS A 123 -0.351 -14.319 8.539 1.00 70.11 H new ATOM 0 HB2 LYS A 123 -0.005 -11.360 7.928 1.00 3.21 H new ATOM 0 HB3 LYS A 123 -0.796 -12.541 6.904 1.00 3.21 H new ATOM 0 HG2 LYS A 123 -2.582 -12.860 8.531 1.00 2.30 H new ATOM 0 HG3 LYS A 123 -1.745 -11.878 9.717 1.00 2.30 H new ATOM 0 HD2 LYS A 123 -3.463 -10.505 8.780 1.00 11.02 H new ATOM 0 HD3 LYS A 123 -1.942 -9.911 8.144 1.00 11.02 H new ATOM 0 HE2 LYS A 123 -3.555 -9.979 6.341 1.00 63.32 H new ATOM 0 HE3 LYS A 123 -2.335 -11.200 6.039 1.00 63.32 H new ATOM 0 HZ1 LYS A 123 -4.686 -11.913 5.689 1.00 71.25 H new ATOM 0 HZ2 LYS A 123 -3.793 -12.908 6.734 1.00 71.25 H new ATOM 0 HZ3 LYS A 123 -4.921 -11.808 7.367 1.00 71.25 H new ATOM 1892 N LEU A 124 1.705 -14.736 7.211 1.00 72.42 N ATOM 1893 CA LEU A 124 2.996 -15.110 6.641 1.00 15.22 C ATOM 1894 C LEU A 124 2.920 -15.323 5.130 1.00 45.32 C ATOM 1895 O LEU A 124 2.524 -16.388 4.646 1.00 61.32 O ATOM 1896 CB LEU A 124 3.554 -16.374 7.322 1.00 61.20 C ATOM 1897 CG LEU A 124 3.771 -16.288 8.843 1.00 72.54 C ATOM 1898 CD1 LEU A 124 4.264 -17.620 9.380 1.00 32.24 C ATOM 1899 CD2 LEU A 124 4.759 -15.188 9.201 1.00 72.42 C ATOM 0 H LEU A 124 0.959 -15.414 7.055 1.00 72.42 H new ATOM 0 HA LEU A 124 3.673 -14.276 6.826 1.00 15.22 H new ATOM 0 HB2 LEU A 124 2.873 -17.201 7.119 1.00 61.20 H new ATOM 0 HB3 LEU A 124 4.506 -16.623 6.854 1.00 61.20 H new ATOM 0 HG LEU A 124 2.813 -16.046 9.303 1.00 72.54 H new ATOM 0 HD11 LEU A 124 4.413 -17.545 10.457 1.00 32.24 H new ATOM 0 HD12 LEU A 124 3.525 -18.393 9.169 1.00 32.24 H new ATOM 0 HD13 LEU A 124 5.208 -17.879 8.900 1.00 32.24 H new ATOM 0 HD21 LEU A 124 4.890 -15.154 10.283 1.00 72.42 H new ATOM 0 HD22 LEU A 124 5.719 -15.392 8.726 1.00 72.42 H new ATOM 0 HD23 LEU A 124 4.378 -14.229 8.851 1.00 72.42 H new ATOM 1911 N GLU A 125 3.272 -14.280 4.396 1.00 22.10 N ATOM 1912 CA GLU A 125 3.461 -14.357 2.954 1.00 51.23 C ATOM 1913 C GLU A 125 4.934 -14.641 2.648 1.00 50.12 C ATOM 1914 O GLU A 125 5.732 -14.883 3.558 1.00 2.20 O ATOM 1915 CB GLU A 125 3.025 -13.050 2.263 1.00 12.30 C ATOM 1916 CG GLU A 125 1.545 -12.720 2.388 1.00 43.50 C ATOM 1917 CD GLU A 125 0.660 -13.716 1.677 1.00 32.33 C ATOM 1918 OE1 GLU A 125 0.623 -13.702 0.433 1.00 41.55 O ATOM 1919 OE2 GLU A 125 0.004 -14.519 2.363 1.00 75.43 O ATOM 0 H GLU A 125 3.436 -13.351 4.784 1.00 22.10 H new ATOM 0 HA GLU A 125 2.840 -15.165 2.568 1.00 51.23 H new ATOM 0 HB2 GLU A 125 3.602 -12.225 2.681 1.00 12.30 H new ATOM 0 HB3 GLU A 125 3.280 -13.113 1.205 1.00 12.30 H new ATOM 0 HG2 GLU A 125 1.273 -12.688 3.443 1.00 43.50 H new ATOM 0 HG3 GLU A 125 1.364 -11.725 1.981 1.00 43.50 H new ATOM 1926 N HIS A 126 5.297 -14.615 1.373 1.00 43.30 N ATOM 1927 CA HIS A 126 6.649 -14.970 0.962 1.00 72.43 C ATOM 1928 C HIS A 126 7.299 -13.828 0.188 1.00 23.43 C ATOM 1929 O HIS A 126 7.065 -13.670 -1.013 1.00 64.35 O ATOM 1930 CB HIS A 126 6.649 -16.249 0.101 1.00 43.34 C ATOM 1931 CG HIS A 126 6.162 -17.485 0.805 1.00 11.44 C ATOM 1932 ND1 HIS A 126 7.006 -18.415 1.358 1.00 32.44 N ATOM 1933 CD2 HIS A 126 4.909 -17.950 1.020 1.00 63.03 C ATOM 1934 CE1 HIS A 126 6.298 -19.389 1.885 1.00 21.34 C ATOM 1935 NE2 HIS A 126 5.020 -19.136 1.695 1.00 61.31 N ATOM 0 H HIS A 126 4.676 -14.353 0.607 1.00 43.30 H new ATOM 0 HA HIS A 126 7.228 -15.158 1.866 1.00 72.43 H new ATOM 0 HB2 HIS A 126 6.026 -16.079 -0.777 1.00 43.34 H new ATOM 0 HB3 HIS A 126 7.663 -16.428 -0.258 1.00 43.34 H new ATOM 0 HD2 HIS A 126 3.990 -17.473 0.715 1.00 63.03 H new ATOM 0 HE1 HIS A 126 6.699 -20.255 2.391 1.00 21.34 H new ATOM 0 HE2 HIS A 126 4.244 -19.724 1.999 1.00 61.31 H new ATOM 1944 N HIS A 127 8.072 -13.009 0.897 1.00 55.32 N ATOM 1945 CA HIS A 127 8.867 -11.952 0.277 1.00 34.53 C ATOM 1946 C HIS A 127 10.131 -11.713 1.105 1.00 0.44 C ATOM 1947 O HIS A 127 10.077 -11.737 2.332 1.00 63.14 O ATOM 1948 CB HIS A 127 8.048 -10.643 0.139 1.00 2.10 C ATOM 1949 CG HIS A 127 8.783 -9.515 -0.534 1.00 44.11 C ATOM 1950 ND1 HIS A 127 9.115 -9.528 -1.868 1.00 32.21 N ATOM 1951 CD2 HIS A 127 9.299 -8.365 -0.033 1.00 4.13 C ATOM 1952 CE1 HIS A 127 9.802 -8.442 -2.159 1.00 50.21 C ATOM 1953 NE2 HIS A 127 9.929 -7.717 -1.066 1.00 54.14 N ATOM 0 H HIS A 127 8.165 -13.058 1.912 1.00 55.32 H new ATOM 0 HA HIS A 127 9.149 -12.269 -0.727 1.00 34.53 H new ATOM 0 HB2 HIS A 127 7.140 -10.855 -0.425 1.00 2.10 H new ATOM 0 HB3 HIS A 127 7.738 -10.317 1.132 1.00 2.10 H new ATOM 0 HD2 HIS A 127 9.227 -8.023 0.989 1.00 4.13 H new ATOM 0 HE1 HIS A 127 10.196 -8.188 -3.132 1.00 50.21 H new ATOM 0 HE2 HIS A 127 10.415 -6.823 -0.999 1.00 54.14 H new ATOM 1962 N HIS A 128 11.259 -11.511 0.422 1.00 44.15 N ATOM 1963 CA HIS A 128 12.505 -11.106 1.064 1.00 11.42 C ATOM 1964 C HIS A 128 13.144 -9.942 0.314 1.00 41.13 C ATOM 1965 O HIS A 128 13.651 -10.100 -0.798 1.00 33.02 O ATOM 1966 CB HIS A 128 13.494 -12.277 1.158 1.00 54.52 C ATOM 1967 CG HIS A 128 13.404 -13.050 2.439 1.00 12.11 C ATOM 1968 ND1 HIS A 128 12.470 -14.035 2.668 1.00 75.22 N ATOM 1969 CD2 HIS A 128 14.153 -12.982 3.563 1.00 72.15 C ATOM 1970 CE1 HIS A 128 12.648 -14.541 3.871 1.00 1.05 C ATOM 1971 NE2 HIS A 128 13.663 -13.921 4.435 1.00 4.00 N ATOM 0 H HIS A 128 11.332 -11.624 -0.589 1.00 44.15 H new ATOM 0 HA HIS A 128 12.262 -10.784 2.077 1.00 11.42 H new ATOM 0 HB2 HIS A 128 13.318 -12.955 0.323 1.00 54.52 H new ATOM 0 HB3 HIS A 128 14.508 -11.892 1.048 1.00 54.52 H new ATOM 0 HD2 HIS A 128 14.982 -12.313 3.741 1.00 72.15 H new ATOM 0 HE1 HIS A 128 12.061 -15.330 4.318 1.00 1.05 H new ATOM 0 HE2 HIS A 128 14.026 -14.108 5.369 1.00 4.00 H new ATOM 1980 N HIS A 129 13.080 -8.770 0.930 1.00 4.41 N ATOM 1981 CA HIS A 129 13.779 -7.581 0.461 1.00 35.41 C ATOM 1982 C HIS A 129 15.239 -7.655 0.938 1.00 51.34 C ATOM 1983 O HIS A 129 15.537 -8.359 1.908 1.00 13.41 O ATOM 1984 CB HIS A 129 13.043 -6.327 1.002 1.00 44.10 C ATOM 1985 CG HIS A 129 13.668 -4.991 0.693 1.00 12.51 C ATOM 1986 ND1 HIS A 129 14.272 -4.212 1.652 1.00 70.13 N ATOM 1987 CD2 HIS A 129 13.746 -4.291 -0.455 1.00 61.20 C ATOM 1988 CE1 HIS A 129 14.703 -3.098 1.107 1.00 62.22 C ATOM 1989 NE2 HIS A 129 14.396 -3.120 -0.170 1.00 0.01 N ATOM 0 H HIS A 129 12.536 -8.616 1.779 1.00 4.41 H new ATOM 0 HA HIS A 129 13.784 -7.519 -0.627 1.00 35.41 H new ATOM 0 HB2 HIS A 129 12.029 -6.329 0.603 1.00 44.10 H new ATOM 0 HB3 HIS A 129 12.960 -6.422 2.085 1.00 44.10 H new ATOM 0 HD2 HIS A 129 13.367 -4.596 -1.419 1.00 61.20 H new ATOM 0 HE1 HIS A 129 15.221 -2.301 1.620 1.00 62.22 H new ATOM 0 HE2 HIS A 129 14.608 -2.383 -0.842 1.00 0.01 H new ATOM 1998 N HIS A 130 16.135 -6.958 0.233 1.00 12.41 N ATOM 1999 CA HIS A 130 17.550 -6.925 0.582 1.00 54.22 C ATOM 2000 C HIS A 130 17.758 -6.243 1.935 1.00 1.54 C ATOM 2001 O HIS A 130 17.297 -5.124 2.164 1.00 32.21 O ATOM 2002 CB HIS A 130 18.361 -6.209 -0.505 1.00 13.20 C ATOM 2003 CG HIS A 130 19.771 -6.712 -0.641 1.00 62.24 C ATOM 2004 ND1 HIS A 130 20.188 -7.474 -1.707 1.00 21.25 N ATOM 2005 CD2 HIS A 130 20.857 -6.560 0.154 1.00 43.30 C ATOM 2006 CE1 HIS A 130 21.463 -7.769 -1.565 1.00 41.34 C ATOM 2007 NE2 HIS A 130 21.897 -7.227 -0.444 1.00 10.43 N ATOM 0 H HIS A 130 15.897 -6.405 -0.591 1.00 12.41 H new ATOM 0 HA HIS A 130 17.903 -7.954 0.655 1.00 54.22 H new ATOM 0 HB2 HIS A 130 17.850 -6.324 -1.461 1.00 13.20 H new ATOM 0 HB3 HIS A 130 18.386 -5.142 -0.283 1.00 13.20 H new ATOM 0 HD2 HIS A 130 20.897 -6.015 1.086 1.00 43.30 H new ATOM 0 HE1 HIS A 130 22.054 -8.356 -2.252 1.00 41.34 H new ATOM 0 HE2 HIS A 130 22.848 -7.293 -0.081 1.00 10.43 H new ATOM 2016 N HIS A 131 18.433 -6.971 2.821 1.00 72.12 N ATOM 2017 CA HIS A 131 18.757 -6.509 4.170 1.00 3.32 C ATOM 2018 C HIS A 131 19.855 -5.439 4.116 1.00 65.12 C ATOM 2019 O HIS A 131 20.853 -5.587 3.406 1.00 2.21 O ATOM 2020 CB HIS A 131 19.197 -7.733 5.009 1.00 62.23 C ATOM 2021 CG HIS A 131 19.539 -7.453 6.443 1.00 40.21 C ATOM 2022 ND1 HIS A 131 20.831 -7.482 6.914 1.00 34.22 N ATOM 2023 CD2 HIS A 131 18.757 -7.178 7.510 1.00 42.51 C ATOM 2024 CE1 HIS A 131 20.834 -7.237 8.207 1.00 22.33 C ATOM 2025 NE2 HIS A 131 19.591 -7.047 8.595 1.00 63.12 N ATOM 0 H HIS A 131 18.775 -7.911 2.621 1.00 72.12 H new ATOM 0 HA HIS A 131 17.885 -6.050 4.636 1.00 3.32 H new ATOM 0 HB2 HIS A 131 18.397 -8.473 4.984 1.00 62.23 H new ATOM 0 HB3 HIS A 131 20.065 -8.185 4.530 1.00 62.23 H new ATOM 0 HD2 HIS A 131 17.681 -7.080 7.510 1.00 42.51 H new ATOM 0 HE1 HIS A 131 21.707 -7.198 8.841 1.00 22.33 H new ATOM 0 HE2 HIS A 131 19.294 -6.836 9.548 1.00 63.12 H new TER 2034 HIS A 131