USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 724 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 48 THR OG1 : rot 143:sc= 0.645 USER MOD Set 1.2: A 55 TYR OH : rot 110:sc= 0.254 USER MOD Set 2.1: A 23 SER OG : rot -129:sc= 0.673 USER MOD Set 2.2: A 26 SER OG : rot -101:sc= 1.48 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0866 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= 1.21 (180deg=0.173) USER MOD Single : A 10 GLN : amide:sc= 0.0465 X(o=0.046,f=-0.17) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 0.195 (180deg=0.0962) USER MOD Single : A 22 GLN : amide:sc= -0.815 X(o=-0.82,f=-0.86) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0246 (180deg=-0.188) USER MOD Single : A 29 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.0029) USER MOD Single : A 34 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 1.04 (180deg=0.426) USER MOD Single : A 36 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.4!) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.165 K(o=-0.17,f=-2.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 56 THR OG1 : rot -76:sc= 0.0671 USER MOD Single : A 62 GLN : amide:sc= -0.798 K(o=-0.8,f=-5!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc= 0.706 (180deg=0.64) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 148:sc= 0.383 USER MOD Single : A 80 HIS : no HE2:sc= 0.0975 K(o=0.098,f=-0.52) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0315 X(o=-0.032,f=-0.003) USER MOD Single : A 83 HIS : no HD1:sc=-0.000903 X(o=-0.0009,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=-0.055) USER MOD Single : A 85 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.362 -7.753 4.128 1.00 70.44 N ATOM 2 CA MET A 1 -22.869 -6.753 5.103 1.00 1.24 C ATOM 3 C MET A 1 -21.497 -6.220 4.629 1.00 45.31 C ATOM 4 O MET A 1 -20.469 -6.841 4.911 1.00 65.32 O ATOM 5 CB MET A 1 -22.786 -7.389 6.528 1.00 43.24 C ATOM 6 CG MET A 1 -22.382 -6.426 7.657 1.00 62.02 C ATOM 7 SD MET A 1 -22.278 -7.238 9.273 1.00 73.24 S ATOM 8 CE MET A 1 -23.958 -7.827 9.518 1.00 52.33 C ATOM 0 H1 MET A 1 -24.285 -8.116 4.440 1.00 70.44 H new ATOM 0 H2 MET A 1 -23.463 -7.307 3.194 1.00 70.44 H new ATOM 0 H3 MET A 1 -22.684 -8.539 4.064 1.00 70.44 H new ATOM 0 HA MET A 1 -23.561 -5.913 5.163 1.00 1.24 H new ATOM 0 HB2 MET A 1 -23.757 -7.821 6.772 1.00 43.24 H new ATOM 0 HB3 MET A 1 -22.070 -8.210 6.500 1.00 43.24 H new ATOM 0 HG2 MET A 1 -21.417 -5.979 7.418 1.00 62.02 H new ATOM 0 HG3 MET A 1 -23.106 -5.613 7.711 1.00 62.02 H new ATOM 0 HE1 MET A 1 -24.104 -8.084 10.567 1.00 52.33 H new ATOM 0 HE2 MET A 1 -24.663 -7.045 9.235 1.00 52.33 H new ATOM 0 HE3 MET A 1 -24.128 -8.709 8.901 1.00 52.33 H new ATOM 20 N PRO A 2 -21.459 -5.106 3.827 1.00 51.40 N ATOM 21 CA PRO A 2 -20.191 -4.504 3.350 1.00 72.02 C ATOM 22 C PRO A 2 -19.537 -3.604 4.417 1.00 53.32 C ATOM 23 O PRO A 2 -19.734 -2.376 4.433 1.00 2.22 O ATOM 24 CB PRO A 2 -20.642 -3.716 2.098 1.00 32.14 C ATOM 25 CG PRO A 2 -22.047 -3.281 2.406 1.00 45.02 C ATOM 26 CD PRO A 2 -22.644 -4.363 3.295 1.00 42.22 C ATOM 0 HA PRO A 2 -19.417 -5.240 3.131 1.00 72.02 H new ATOM 0 HB2 PRO A 2 -19.994 -2.859 1.915 1.00 32.14 H new ATOM 0 HB3 PRO A 2 -20.607 -4.339 1.204 1.00 32.14 H new ATOM 0 HG2 PRO A 2 -22.053 -2.315 2.911 1.00 45.02 H new ATOM 0 HG3 PRO A 2 -22.628 -3.165 1.491 1.00 45.02 H new ATOM 0 HD2 PRO A 2 -23.237 -3.932 4.101 1.00 42.22 H new ATOM 0 HD3 PRO A 2 -23.305 -5.021 2.730 1.00 42.22 H new ATOM 34 N SER A 3 -18.799 -4.236 5.343 1.00 14.45 N ATOM 35 CA SER A 3 -18.062 -3.524 6.386 1.00 35.13 C ATOM 36 C SER A 3 -16.933 -2.697 5.752 1.00 43.20 C ATOM 37 O SER A 3 -16.234 -3.175 4.846 1.00 4.13 O ATOM 38 CB SER A 3 -17.485 -4.508 7.423 1.00 51.20 C ATOM 39 OG SER A 3 -16.801 -3.821 8.465 1.00 75.40 O ATOM 0 H SER A 3 -18.700 -5.250 5.386 1.00 14.45 H new ATOM 0 HA SER A 3 -18.751 -2.856 6.902 1.00 35.13 H new ATOM 0 HB2 SER A 3 -18.291 -5.106 7.847 1.00 51.20 H new ATOM 0 HB3 SER A 3 -16.801 -5.199 6.930 1.00 51.20 H new ATOM 0 HG SER A 3 -16.448 -4.471 9.108 1.00 75.40 H new ATOM 45 N GLU A 4 -16.770 -1.459 6.237 1.00 20.32 N ATOM 46 CA GLU A 4 -15.728 -0.544 5.761 1.00 21.03 C ATOM 47 C GLU A 4 -14.320 -1.039 6.167 1.00 4.41 C ATOM 48 O GLU A 4 -13.329 -0.620 5.584 1.00 13.13 O ATOM 49 CB GLU A 4 -16.023 0.911 6.252 1.00 0.02 C ATOM 50 CG GLU A 4 -16.141 1.125 7.789 1.00 20.54 C ATOM 51 CD GLU A 4 -14.800 1.082 8.545 1.00 1.14 C ATOM 52 OE1 GLU A 4 -14.630 0.258 9.469 1.00 42.33 O ATOM 53 OE2 GLU A 4 -13.894 1.858 8.184 1.00 42.12 O ATOM 0 H GLU A 4 -17.358 -1.065 6.971 1.00 20.32 H new ATOM 0 HA GLU A 4 -15.741 -0.528 4.671 1.00 21.03 H new ATOM 0 HB2 GLU A 4 -15.232 1.562 5.879 1.00 0.02 H new ATOM 0 HB3 GLU A 4 -16.953 1.243 5.791 1.00 0.02 H new ATOM 0 HG2 GLU A 4 -16.617 2.088 7.973 1.00 20.54 H new ATOM 0 HG3 GLU A 4 -16.800 0.360 8.200 1.00 20.54 H new ATOM 60 N GLU A 5 -14.260 -1.927 7.191 1.00 60.54 N ATOM 61 CA GLU A 5 -13.016 -2.603 7.626 1.00 31.01 C ATOM 62 C GLU A 5 -12.506 -3.568 6.530 1.00 71.13 C ATOM 63 O GLU A 5 -11.288 -3.682 6.307 1.00 71.24 O ATOM 64 CB GLU A 5 -13.260 -3.374 8.953 1.00 62.42 C ATOM 65 CG GLU A 5 -12.011 -4.086 9.509 1.00 53.10 C ATOM 66 CD GLU A 5 -12.301 -4.914 10.769 1.00 42.21 C ATOM 67 OE1 GLU A 5 -12.101 -4.418 11.894 1.00 10.11 O ATOM 68 OE2 GLU A 5 -12.738 -6.072 10.637 1.00 61.50 O ATOM 0 H GLU A 5 -15.078 -2.194 7.739 1.00 60.54 H new ATOM 0 HA GLU A 5 -12.253 -1.844 7.796 1.00 31.01 H new ATOM 0 HB2 GLU A 5 -13.630 -2.675 9.703 1.00 62.42 H new ATOM 0 HB3 GLU A 5 -14.044 -4.114 8.792 1.00 62.42 H new ATOM 0 HG2 GLU A 5 -11.599 -4.739 8.739 1.00 53.10 H new ATOM 0 HG3 GLU A 5 -11.248 -3.342 9.738 1.00 53.10 H new ATOM 75 N GLU A 6 -13.465 -4.230 5.834 1.00 74.35 N ATOM 76 CA GLU A 6 -13.169 -5.151 4.713 1.00 52.24 C ATOM 77 C GLU A 6 -12.421 -4.410 3.597 1.00 63.12 C ATOM 78 O GLU A 6 -11.552 -4.984 2.948 1.00 51.25 O ATOM 79 CB GLU A 6 -14.468 -5.797 4.148 1.00 61.33 C ATOM 80 CG GLU A 6 -15.219 -6.676 5.160 1.00 60.45 C ATOM 81 CD GLU A 6 -16.468 -7.360 4.583 1.00 22.13 C ATOM 82 OE1 GLU A 6 -17.598 -6.968 4.930 1.00 23.11 O ATOM 83 OE2 GLU A 6 -16.323 -8.304 3.769 1.00 62.33 O ATOM 0 H GLU A 6 -14.461 -4.139 6.035 1.00 74.35 H new ATOM 0 HA GLU A 6 -12.536 -5.950 5.099 1.00 52.24 H new ATOM 0 HB2 GLU A 6 -15.135 -5.006 3.804 1.00 61.33 H new ATOM 0 HB3 GLU A 6 -14.212 -6.401 3.277 1.00 61.33 H new ATOM 0 HG2 GLU A 6 -14.540 -7.440 5.537 1.00 60.45 H new ATOM 0 HG3 GLU A 6 -15.513 -6.063 6.012 1.00 60.45 H new ATOM 90 N GLU A 7 -12.753 -3.116 3.428 1.00 63.23 N ATOM 91 CA GLU A 7 -12.119 -2.246 2.427 1.00 75.13 C ATOM 92 C GLU A 7 -10.624 -2.062 2.714 1.00 42.22 C ATOM 93 O GLU A 7 -9.821 -2.115 1.798 1.00 22.34 O ATOM 94 CB GLU A 7 -12.826 -0.872 2.363 1.00 74.11 C ATOM 95 CG GLU A 7 -14.340 -0.965 2.094 1.00 2.10 C ATOM 96 CD GLU A 7 -14.709 -1.841 0.874 1.00 34.31 C ATOM 97 OE1 GLU A 7 -14.228 -1.556 -0.239 1.00 53.25 O ATOM 98 OE2 GLU A 7 -15.513 -2.794 1.014 1.00 64.42 O ATOM 0 H GLU A 7 -13.469 -2.647 3.983 1.00 63.23 H new ATOM 0 HA GLU A 7 -12.220 -2.734 1.458 1.00 75.13 H new ATOM 0 HB2 GLU A 7 -12.665 -0.347 3.304 1.00 74.11 H new ATOM 0 HB3 GLU A 7 -12.363 -0.272 1.580 1.00 74.11 H new ATOM 0 HG2 GLU A 7 -14.832 -1.367 2.979 1.00 2.10 H new ATOM 0 HG3 GLU A 7 -14.734 0.040 1.939 1.00 2.10 H new ATOM 105 N LYS A 8 -10.268 -1.894 4.001 1.00 22.53 N ATOM 106 CA LYS A 8 -8.860 -1.716 4.440 1.00 52.14 C ATOM 107 C LYS A 8 -8.030 -2.963 4.091 1.00 3.34 C ATOM 108 O LYS A 8 -6.904 -2.846 3.608 1.00 0.13 O ATOM 109 CB LYS A 8 -8.776 -1.419 5.971 1.00 42.14 C ATOM 110 CG LYS A 8 -9.082 0.044 6.383 1.00 52.42 C ATOM 111 CD LYS A 8 -10.441 0.559 5.868 1.00 61.55 C ATOM 112 CE LYS A 8 -10.811 1.936 6.431 1.00 61.41 C ATOM 113 NZ LYS A 8 -11.120 1.876 7.877 1.00 54.55 N ATOM 0 H LYS A 8 -10.941 -1.877 4.768 1.00 22.53 H new ATOM 0 HA LYS A 8 -8.449 -0.857 3.909 1.00 52.14 H new ATOM 0 HB2 LYS A 8 -9.472 -2.078 6.490 1.00 42.14 H new ATOM 0 HB3 LYS A 8 -7.775 -1.675 6.319 1.00 42.14 H new ATOM 0 HG2 LYS A 8 -9.063 0.118 7.470 1.00 52.42 H new ATOM 0 HG3 LYS A 8 -8.291 0.692 6.006 1.00 52.42 H new ATOM 0 HD2 LYS A 8 -10.414 0.613 4.780 1.00 61.55 H new ATOM 0 HD3 LYS A 8 -11.219 -0.157 6.133 1.00 61.55 H new ATOM 0 HE2 LYS A 8 -9.987 2.630 6.264 1.00 61.41 H new ATOM 0 HE3 LYS A 8 -11.673 2.329 5.892 1.00 61.41 H new ATOM 0 HZ1 LYS A 8 -12.124 2.101 8.027 1.00 54.55 H new ATOM 0 HZ2 LYS A 8 -10.922 0.920 8.235 1.00 54.55 H new ATOM 0 HZ3 LYS A 8 -10.531 2.565 8.387 1.00 54.55 H new ATOM 127 N ARG A 9 -8.633 -4.146 4.313 1.00 72.12 N ATOM 128 CA ARG A 9 -8.043 -5.457 3.956 1.00 24.41 C ATOM 129 C ARG A 9 -7.753 -5.534 2.443 1.00 0.34 C ATOM 130 O ARG A 9 -6.670 -5.969 2.025 1.00 63.52 O ATOM 131 CB ARG A 9 -9.018 -6.590 4.366 1.00 23.21 C ATOM 132 CG ARG A 9 -8.556 -8.027 4.028 1.00 50.23 C ATOM 133 CD ARG A 9 -9.662 -9.062 4.277 1.00 63.14 C ATOM 134 NE ARG A 9 -9.215 -10.439 4.006 1.00 61.31 N ATOM 135 CZ ARG A 9 -10.016 -11.513 3.980 1.00 64.11 C ATOM 136 NH1 ARG A 9 -11.324 -11.395 4.216 1.00 43.34 N ATOM 137 NH2 ARG A 9 -9.498 -12.710 3.745 1.00 50.14 N ATOM 0 H ARG A 9 -9.552 -4.223 4.749 1.00 72.12 H new ATOM 0 HA ARG A 9 -7.100 -5.574 4.490 1.00 24.41 H new ATOM 0 HB2 ARG A 9 -9.189 -6.526 5.441 1.00 23.21 H new ATOM 0 HB3 ARG A 9 -9.977 -6.413 3.880 1.00 23.21 H new ATOM 0 HG2 ARG A 9 -8.246 -8.072 2.984 1.00 50.23 H new ATOM 0 HG3 ARG A 9 -7.683 -8.278 4.630 1.00 50.23 H new ATOM 0 HD2 ARG A 9 -9.998 -8.989 5.311 1.00 63.14 H new ATOM 0 HD3 ARG A 9 -10.520 -8.831 3.646 1.00 63.14 H new ATOM 0 HE ARG A 9 -8.222 -10.586 3.825 1.00 61.31 H new ATOM 0 HH11 ARG A 9 -11.725 -10.479 4.419 1.00 43.34 H new ATOM 0 HH12 ARG A 9 -11.923 -12.220 4.193 1.00 43.34 H new ATOM 0 HH21 ARG A 9 -8.495 -12.809 3.585 1.00 50.14 H new ATOM 0 HH22 ARG A 9 -10.102 -13.532 3.724 1.00 50.14 H new ATOM 151 N GLN A 10 -8.742 -5.076 1.652 1.00 15.41 N ATOM 152 CA GLN A 10 -8.669 -5.042 0.179 1.00 4.51 C ATOM 153 C GLN A 10 -7.540 -4.112 -0.298 1.00 12.24 C ATOM 154 O GLN A 10 -6.766 -4.479 -1.171 1.00 33.41 O ATOM 155 CB GLN A 10 -10.020 -4.569 -0.412 1.00 74.44 C ATOM 156 CG GLN A 10 -11.228 -5.479 -0.104 1.00 3.31 C ATOM 157 CD GLN A 10 -12.567 -4.833 -0.465 1.00 73.43 C ATOM 158 OE1 GLN A 10 -12.655 -4.068 -1.428 1.00 24.40 O ATOM 159 NE2 GLN A 10 -13.606 -5.090 0.325 1.00 30.31 N ATOM 0 H GLN A 10 -9.622 -4.716 2.021 1.00 15.41 H new ATOM 0 HA GLN A 10 -8.455 -6.052 -0.170 1.00 4.51 H new ATOM 0 HB2 GLN A 10 -10.233 -3.569 -0.034 1.00 74.44 H new ATOM 0 HB3 GLN A 10 -9.915 -4.485 -1.494 1.00 74.44 H new ATOM 0 HG2 GLN A 10 -11.122 -6.414 -0.654 1.00 3.31 H new ATOM 0 HG3 GLN A 10 -11.226 -5.731 0.957 1.00 3.31 H new ATOM 0 HE21 GLN A 10 -13.501 -5.728 1.114 1.00 30.31 H new ATOM 0 HE22 GLN A 10 -14.507 -4.649 0.142 1.00 30.31 H new ATOM 168 N VAL A 11 -7.460 -2.920 0.319 1.00 40.21 N ATOM 169 CA VAL A 11 -6.496 -1.870 -0.056 1.00 60.12 C ATOM 170 C VAL A 11 -5.051 -2.302 0.242 1.00 73.01 C ATOM 171 O VAL A 11 -4.166 -2.094 -0.584 1.00 21.13 O ATOM 172 CB VAL A 11 -6.817 -0.518 0.681 1.00 73.34 C ATOM 173 CG1 VAL A 11 -5.754 0.553 0.396 1.00 1.44 C ATOM 174 CG2 VAL A 11 -8.203 0.007 0.283 1.00 22.14 C ATOM 0 H VAL A 11 -8.066 -2.656 1.096 1.00 40.21 H new ATOM 0 HA VAL A 11 -6.592 -1.713 -1.130 1.00 60.12 H new ATOM 0 HB VAL A 11 -6.809 -0.729 1.750 1.00 73.34 H new ATOM 0 HG11 VAL A 11 -6.012 1.471 0.923 1.00 1.44 H new ATOM 0 HG12 VAL A 11 -4.781 0.200 0.738 1.00 1.44 H new ATOM 0 HG13 VAL A 11 -5.713 0.749 -0.675 1.00 1.44 H new ATOM 0 HG21 VAL A 11 -8.402 0.943 0.806 1.00 22.14 H new ATOM 0 HG22 VAL A 11 -8.232 0.179 -0.793 1.00 22.14 H new ATOM 0 HG23 VAL A 11 -8.962 -0.728 0.553 1.00 22.14 H new ATOM 184 N LYS A 12 -4.836 -2.910 1.424 1.00 75.54 N ATOM 185 CA LYS A 12 -3.519 -3.446 1.823 1.00 32.52 C ATOM 186 C LYS A 12 -3.071 -4.545 0.851 1.00 2.24 C ATOM 187 O LYS A 12 -1.891 -4.641 0.520 1.00 2.30 O ATOM 188 CB LYS A 12 -3.566 -4.024 3.254 1.00 54.51 C ATOM 189 CG LYS A 12 -3.789 -2.981 4.363 1.00 24.11 C ATOM 190 CD LYS A 12 -3.838 -3.634 5.760 1.00 42.43 C ATOM 191 CE LYS A 12 -5.049 -4.560 5.955 1.00 42.14 C ATOM 192 NZ LYS A 12 -5.042 -5.212 7.291 1.00 60.11 N ATOM 0 H LYS A 12 -5.564 -3.043 2.126 1.00 75.54 H new ATOM 0 HA LYS A 12 -2.806 -2.622 1.797 1.00 32.52 H new ATOM 0 HB2 LYS A 12 -4.364 -4.765 3.306 1.00 54.51 H new ATOM 0 HB3 LYS A 12 -2.631 -4.548 3.450 1.00 54.51 H new ATOM 0 HG2 LYS A 12 -2.988 -2.243 4.334 1.00 24.11 H new ATOM 0 HG3 LYS A 12 -4.721 -2.447 4.178 1.00 24.11 H new ATOM 0 HD2 LYS A 12 -2.923 -4.205 5.919 1.00 42.43 H new ATOM 0 HD3 LYS A 12 -3.861 -2.852 6.519 1.00 42.43 H new ATOM 0 HE2 LYS A 12 -5.968 -3.985 5.837 1.00 42.14 H new ATOM 0 HE3 LYS A 12 -5.049 -5.325 5.178 1.00 42.14 H new ATOM 0 HZ1 LYS A 12 -5.875 -5.828 7.381 1.00 60.11 H new ATOM 0 HZ2 LYS A 12 -4.178 -5.781 7.395 1.00 60.11 H new ATOM 0 HZ3 LYS A 12 -5.068 -4.484 8.033 1.00 60.11 H new ATOM 206 N GLN A 13 -4.049 -5.354 0.403 1.00 65.32 N ATOM 207 CA GLN A 13 -3.816 -6.448 -0.548 1.00 5.31 C ATOM 208 C GLN A 13 -3.377 -5.885 -1.915 1.00 62.13 C ATOM 209 O GLN A 13 -2.364 -6.308 -2.451 1.00 72.52 O ATOM 210 CB GLN A 13 -5.090 -7.326 -0.683 1.00 11.42 C ATOM 211 CG GLN A 13 -4.924 -8.568 -1.580 1.00 1.02 C ATOM 212 CD GLN A 13 -6.195 -9.415 -1.730 1.00 74.43 C ATOM 213 OE1 GLN A 13 -6.123 -10.638 -1.858 1.00 32.20 O ATOM 214 NE2 GLN A 13 -7.367 -8.778 -1.761 1.00 13.51 N ATOM 0 H GLN A 13 -5.023 -5.264 0.693 1.00 65.32 H new ATOM 0 HA GLN A 13 -3.012 -7.079 -0.171 1.00 5.31 H new ATOM 0 HB2 GLN A 13 -5.398 -7.651 0.311 1.00 11.42 H new ATOM 0 HB3 GLN A 13 -5.897 -6.712 -1.082 1.00 11.42 H new ATOM 0 HG2 GLN A 13 -4.598 -8.246 -2.569 1.00 1.02 H new ATOM 0 HG3 GLN A 13 -4.131 -9.194 -1.171 1.00 1.02 H new ATOM 0 HE21 GLN A 13 -7.400 -7.764 -1.653 1.00 13.51 H new ATOM 0 HE22 GLN A 13 -8.230 -9.305 -1.893 1.00 13.51 H new ATOM 223 N VAL A 14 -4.125 -4.888 -2.431 1.00 2.04 N ATOM 224 CA VAL A 14 -3.785 -4.193 -3.695 1.00 62.34 C ATOM 225 C VAL A 14 -2.377 -3.564 -3.584 1.00 51.11 C ATOM 226 O VAL A 14 -1.530 -3.760 -4.454 1.00 52.34 O ATOM 227 CB VAL A 14 -4.848 -3.077 -4.048 1.00 43.13 C ATOM 228 CG1 VAL A 14 -4.466 -2.298 -5.328 1.00 31.11 C ATOM 229 CG2 VAL A 14 -6.268 -3.679 -4.187 1.00 1.13 C ATOM 0 H VAL A 14 -4.976 -4.542 -1.989 1.00 2.04 H new ATOM 0 HA VAL A 14 -3.795 -4.930 -4.498 1.00 62.34 H new ATOM 0 HB VAL A 14 -4.851 -2.371 -3.218 1.00 43.13 H new ATOM 0 HG11 VAL A 14 -5.224 -1.542 -5.533 1.00 31.11 H new ATOM 0 HG12 VAL A 14 -3.500 -1.814 -5.185 1.00 31.11 H new ATOM 0 HG13 VAL A 14 -4.405 -2.988 -6.169 1.00 31.11 H new ATOM 0 HG21 VAL A 14 -6.977 -2.887 -4.430 1.00 1.13 H new ATOM 0 HG22 VAL A 14 -6.271 -4.425 -4.982 1.00 1.13 H new ATOM 0 HG23 VAL A 14 -6.557 -4.149 -3.247 1.00 1.13 H new ATOM 239 N ALA A 15 -2.138 -2.898 -2.444 1.00 51.41 N ATOM 240 CA ALA A 15 -0.904 -2.148 -2.169 1.00 10.31 C ATOM 241 C ALA A 15 0.333 -3.062 -2.122 1.00 20.41 C ATOM 242 O ALA A 15 1.383 -2.725 -2.686 1.00 14.13 O ATOM 243 CB ALA A 15 -1.060 -1.379 -0.846 1.00 43.11 C ATOM 0 H ALA A 15 -2.808 -2.865 -1.675 1.00 51.41 H new ATOM 0 HA ALA A 15 -0.745 -1.445 -2.987 1.00 10.31 H new ATOM 0 HB1 ALA A 15 -0.146 -0.822 -0.639 1.00 43.11 H new ATOM 0 HB2 ALA A 15 -1.898 -0.686 -0.924 1.00 43.11 H new ATOM 0 HB3 ALA A 15 -1.247 -2.084 -0.035 1.00 43.11 H new ATOM 249 N LYS A 16 0.185 -4.234 -1.476 1.00 12.22 N ATOM 250 CA LYS A 16 1.298 -5.175 -1.280 1.00 43.44 C ATOM 251 C LYS A 16 1.642 -5.887 -2.593 1.00 3.24 C ATOM 252 O LYS A 16 2.815 -6.125 -2.869 1.00 22.23 O ATOM 253 CB LYS A 16 0.993 -6.196 -0.148 1.00 72.34 C ATOM 254 CG LYS A 16 -0.084 -7.255 -0.463 1.00 43.34 C ATOM 255 CD LYS A 16 -0.305 -8.267 0.685 1.00 32.11 C ATOM 256 CE LYS A 16 0.982 -9.027 1.061 1.00 14.33 C ATOM 257 NZ LYS A 16 0.728 -10.099 2.065 1.00 1.53 N ATOM 0 H LYS A 16 -0.700 -4.551 -1.080 1.00 12.22 H new ATOM 0 HA LYS A 16 2.169 -4.599 -0.967 1.00 43.44 H new ATOM 0 HB2 LYS A 16 1.918 -6.713 0.107 1.00 72.34 H new ATOM 0 HB3 LYS A 16 0.682 -5.643 0.738 1.00 72.34 H new ATOM 0 HG2 LYS A 16 -1.026 -6.751 -0.679 1.00 43.34 H new ATOM 0 HG3 LYS A 16 0.202 -7.797 -1.365 1.00 43.34 H new ATOM 0 HD2 LYS A 16 -0.681 -7.740 1.562 1.00 32.11 H new ATOM 0 HD3 LYS A 16 -1.072 -8.983 0.391 1.00 32.11 H new ATOM 0 HE2 LYS A 16 1.418 -9.467 0.164 1.00 14.33 H new ATOM 0 HE3 LYS A 16 1.714 -8.324 1.459 1.00 14.33 H new ATOM 0 HZ1 LYS A 16 1.621 -10.584 2.289 1.00 1.53 H new ATOM 0 HZ2 LYS A 16 0.337 -9.677 2.931 1.00 1.53 H new ATOM 0 HZ3 LYS A 16 0.049 -10.785 1.677 1.00 1.53 H new ATOM 271 N GLU A 17 0.609 -6.177 -3.417 1.00 34.21 N ATOM 272 CA GLU A 17 0.797 -6.800 -4.739 1.00 32.35 C ATOM 273 C GLU A 17 1.549 -5.845 -5.678 1.00 32.21 C ATOM 274 O GLU A 17 2.387 -6.278 -6.471 1.00 32.43 O ATOM 275 CB GLU A 17 -0.550 -7.206 -5.381 1.00 42.33 C ATOM 276 CG GLU A 17 -1.360 -8.263 -4.607 1.00 14.11 C ATOM 277 CD GLU A 17 -0.575 -9.540 -4.284 1.00 53.40 C ATOM 278 OE1 GLU A 17 -0.428 -10.402 -5.174 1.00 12.10 O ATOM 279 OE2 GLU A 17 -0.113 -9.707 -3.132 1.00 75.33 O ATOM 0 H GLU A 17 -0.366 -5.987 -3.184 1.00 34.21 H new ATOM 0 HA GLU A 17 1.386 -7.705 -4.589 1.00 32.35 H new ATOM 0 HB2 GLU A 17 -1.164 -6.312 -5.492 1.00 42.33 H new ATOM 0 HB3 GLU A 17 -0.355 -7.585 -6.384 1.00 42.33 H new ATOM 0 HG2 GLU A 17 -1.715 -7.822 -3.676 1.00 14.11 H new ATOM 0 HG3 GLU A 17 -2.241 -8.529 -5.191 1.00 14.11 H new ATOM 286 N LYS A 18 1.244 -4.541 -5.555 1.00 13.43 N ATOM 287 CA LYS A 18 1.921 -3.477 -6.313 1.00 21.35 C ATOM 288 C LYS A 18 3.419 -3.408 -5.947 1.00 42.04 C ATOM 289 O LYS A 18 4.270 -3.188 -6.815 1.00 53.23 O ATOM 290 CB LYS A 18 1.225 -2.112 -6.065 1.00 44.02 C ATOM 291 CG LYS A 18 -0.199 -2.011 -6.656 1.00 72.34 C ATOM 292 CD LYS A 18 -0.221 -2.210 -8.186 1.00 60.21 C ATOM 293 CE LYS A 18 -1.625 -2.488 -8.748 1.00 74.53 C ATOM 294 NZ LYS A 18 -1.547 -2.878 -10.180 1.00 23.14 N ATOM 0 H LYS A 18 0.519 -4.196 -4.925 1.00 13.43 H new ATOM 0 HA LYS A 18 1.849 -3.711 -7.375 1.00 21.35 H new ATOM 0 HB2 LYS A 18 1.174 -1.933 -4.991 1.00 44.02 H new ATOM 0 HB3 LYS A 18 1.840 -1.320 -6.492 1.00 44.02 H new ATOM 0 HG2 LYS A 18 -0.837 -2.760 -6.187 1.00 72.34 H new ATOM 0 HG3 LYS A 18 -0.621 -1.035 -6.414 1.00 72.34 H new ATOM 0 HD2 LYS A 18 0.184 -1.319 -8.666 1.00 60.21 H new ATOM 0 HD3 LYS A 18 0.437 -3.039 -8.446 1.00 60.21 H new ATOM 0 HE2 LYS A 18 -2.101 -3.283 -8.174 1.00 74.53 H new ATOM 0 HE3 LYS A 18 -2.248 -1.600 -8.641 1.00 74.53 H new ATOM 0 HZ1 LYS A 18 -2.424 -3.363 -10.456 1.00 23.14 H new ATOM 0 HZ2 LYS A 18 -1.423 -2.027 -10.765 1.00 23.14 H new ATOM 0 HZ3 LYS A 18 -0.739 -3.517 -10.322 1.00 23.14 H new ATOM 308 N LEU A 19 3.719 -3.637 -4.653 1.00 64.42 N ATOM 309 CA LEU A 19 5.106 -3.693 -4.147 1.00 52.53 C ATOM 310 C LEU A 19 5.817 -4.981 -4.598 1.00 61.15 C ATOM 311 O LEU A 19 7.033 -4.989 -4.789 1.00 41.41 O ATOM 312 CB LEU A 19 5.145 -3.588 -2.601 1.00 33.43 C ATOM 313 CG LEU A 19 4.565 -2.284 -1.986 1.00 52.34 C ATOM 314 CD1 LEU A 19 4.938 -2.179 -0.501 1.00 55.21 C ATOM 315 CD2 LEU A 19 5.017 -1.038 -2.770 1.00 31.24 C ATOM 0 H LEU A 19 3.012 -3.787 -3.933 1.00 64.42 H new ATOM 0 HA LEU A 19 5.634 -2.838 -4.570 1.00 52.53 H new ATOM 0 HB2 LEU A 19 4.598 -4.435 -2.186 1.00 33.43 H new ATOM 0 HB3 LEU A 19 6.181 -3.688 -2.277 1.00 33.43 H new ATOM 0 HG LEU A 19 3.479 -2.330 -2.061 1.00 52.34 H new ATOM 0 HD11 LEU A 19 4.524 -1.260 -0.086 1.00 55.21 H new ATOM 0 HD12 LEU A 19 4.532 -3.035 0.037 1.00 55.21 H new ATOM 0 HD13 LEU A 19 6.023 -2.167 -0.398 1.00 55.21 H new ATOM 0 HD21 LEU A 19 4.592 -0.145 -2.311 1.00 31.24 H new ATOM 0 HD22 LEU A 19 6.105 -0.972 -2.753 1.00 31.24 H new ATOM 0 HD23 LEU A 19 4.674 -1.113 -3.802 1.00 31.24 H new ATOM 327 N LEU A 20 5.037 -6.056 -4.764 1.00 22.12 N ATOM 328 CA LEU A 20 5.540 -7.356 -5.251 1.00 43.35 C ATOM 329 C LEU A 20 5.785 -7.320 -6.774 1.00 41.34 C ATOM 330 O LEU A 20 6.520 -8.155 -7.309 1.00 3.21 O ATOM 331 CB LEU A 20 4.550 -8.483 -4.858 1.00 41.42 C ATOM 332 CG LEU A 20 4.461 -8.765 -3.325 1.00 32.24 C ATOM 333 CD1 LEU A 20 3.242 -9.633 -2.975 1.00 64.31 C ATOM 334 CD2 LEU A 20 5.769 -9.394 -2.798 1.00 12.44 C ATOM 0 H LEU A 20 4.037 -6.054 -4.565 1.00 22.12 H new ATOM 0 HA LEU A 20 6.500 -7.563 -4.778 1.00 43.35 H new ATOM 0 HB2 LEU A 20 3.557 -8.220 -5.224 1.00 41.42 H new ATOM 0 HB3 LEU A 20 4.845 -9.401 -5.366 1.00 41.42 H new ATOM 0 HG LEU A 20 4.327 -7.806 -2.825 1.00 32.24 H new ATOM 0 HD11 LEU A 20 3.216 -9.807 -1.899 1.00 64.31 H new ATOM 0 HD12 LEU A 20 2.330 -9.121 -3.282 1.00 64.31 H new ATOM 0 HD13 LEU A 20 3.314 -10.588 -3.495 1.00 64.31 H new ATOM 0 HD21 LEU A 20 5.678 -9.579 -1.728 1.00 12.44 H new ATOM 0 HD22 LEU A 20 5.954 -10.336 -3.315 1.00 12.44 H new ATOM 0 HD23 LEU A 20 6.600 -8.712 -2.979 1.00 12.44 H new ATOM 346 N GLU A 21 5.152 -6.346 -7.460 1.00 52.42 N ATOM 347 CA GLU A 21 5.433 -6.048 -8.884 1.00 43.03 C ATOM 348 C GLU A 21 6.746 -5.260 -9.026 1.00 70.33 C ATOM 349 O GLU A 21 7.343 -5.228 -10.101 1.00 64.23 O ATOM 350 CB GLU A 21 4.256 -5.283 -9.558 1.00 60.22 C ATOM 351 CG GLU A 21 2.962 -6.110 -9.669 1.00 71.22 C ATOM 352 CD GLU A 21 1.843 -5.425 -10.471 1.00 71.11 C ATOM 353 OE1 GLU A 21 1.807 -5.587 -11.710 1.00 4.45 O ATOM 354 OE2 GLU A 21 0.985 -4.742 -9.875 1.00 11.15 O ATOM 0 H GLU A 21 4.437 -5.747 -7.048 1.00 52.42 H new ATOM 0 HA GLU A 21 5.542 -7.001 -9.402 1.00 43.03 H new ATOM 0 HB2 GLU A 21 4.050 -4.377 -8.988 1.00 60.22 H new ATOM 0 HB3 GLU A 21 4.563 -4.969 -10.556 1.00 60.22 H new ATOM 0 HG2 GLU A 21 3.195 -7.067 -10.136 1.00 71.22 H new ATOM 0 HG3 GLU A 21 2.595 -6.326 -8.666 1.00 71.22 H new ATOM 361 N GLN A 22 7.174 -4.605 -7.936 1.00 40.04 N ATOM 362 CA GLN A 22 8.463 -3.888 -7.879 1.00 63.22 C ATOM 363 C GLN A 22 9.587 -4.845 -7.421 1.00 14.43 C ATOM 364 O GLN A 22 10.717 -4.780 -7.922 1.00 73.25 O ATOM 365 CB GLN A 22 8.355 -2.683 -6.909 1.00 44.53 C ATOM 366 CG GLN A 22 7.208 -1.696 -7.233 1.00 52.22 C ATOM 367 CD GLN A 22 7.067 -0.538 -6.235 1.00 4.31 C ATOM 368 OE1 GLN A 22 6.650 0.561 -6.595 1.00 2.10 O ATOM 369 NE2 GLN A 22 7.389 -0.770 -4.970 1.00 23.55 N ATOM 0 H GLN A 22 6.639 -4.556 -7.069 1.00 40.04 H new ATOM 0 HA GLN A 22 8.706 -3.518 -8.875 1.00 63.22 H new ATOM 0 HB2 GLN A 22 8.217 -3.060 -5.896 1.00 44.53 H new ATOM 0 HB3 GLN A 22 9.299 -2.139 -6.920 1.00 44.53 H new ATOM 0 HG2 GLN A 22 7.370 -1.284 -8.229 1.00 52.22 H new ATOM 0 HG3 GLN A 22 6.269 -2.248 -7.266 1.00 52.22 H new ATOM 0 HE21 GLN A 22 7.733 -1.689 -4.692 1.00 23.55 H new ATOM 0 HE22 GLN A 22 7.292 -0.030 -4.275 1.00 23.55 H new ATOM 378 N SER A 23 9.248 -5.737 -6.468 1.00 42.32 N ATOM 379 CA SER A 23 10.186 -6.686 -5.854 1.00 1.20 C ATOM 380 C SER A 23 9.391 -7.884 -5.269 1.00 11.00 C ATOM 381 O SER A 23 8.765 -7.747 -4.207 1.00 22.50 O ATOM 382 CB SER A 23 11.018 -5.988 -4.744 1.00 11.32 C ATOM 383 OG SER A 23 12.033 -6.845 -4.246 1.00 4.10 O ATOM 0 H SER A 23 8.300 -5.816 -6.101 1.00 42.32 H new ATOM 0 HA SER A 23 10.879 -7.051 -6.613 1.00 1.20 H new ATOM 0 HB2 SER A 23 11.469 -5.079 -5.142 1.00 11.32 H new ATOM 0 HB3 SER A 23 10.360 -5.687 -3.928 1.00 11.32 H new ATOM 0 HG SER A 23 11.991 -6.867 -3.267 1.00 4.10 H new ATOM 389 N PRO A 24 9.375 -9.067 -5.965 1.00 11.44 N ATOM 390 CA PRO A 24 8.589 -10.251 -5.524 1.00 54.10 C ATOM 391 C PRO A 24 9.254 -11.011 -4.359 1.00 1.54 C ATOM 392 O PRO A 24 8.573 -11.644 -3.546 1.00 74.24 O ATOM 393 CB PRO A 24 8.531 -11.115 -6.808 1.00 32.23 C ATOM 394 CG PRO A 24 9.805 -10.805 -7.536 1.00 52.23 C ATOM 395 CD PRO A 24 10.110 -9.345 -7.236 1.00 11.54 C ATOM 0 HA PRO A 24 7.609 -9.980 -5.131 1.00 54.10 H new ATOM 0 HB2 PRO A 24 8.461 -12.176 -6.568 1.00 32.23 H new ATOM 0 HB3 PRO A 24 7.659 -10.866 -7.413 1.00 32.23 H new ATOM 0 HG2 PRO A 24 10.615 -11.451 -7.198 1.00 52.23 H new ATOM 0 HG3 PRO A 24 9.693 -10.969 -8.608 1.00 52.23 H new ATOM 0 HD2 PRO A 24 11.181 -9.178 -7.121 1.00 11.54 H new ATOM 0 HD3 PRO A 24 9.771 -8.694 -8.042 1.00 11.54 H new ATOM 403 N ASN A 25 10.591 -10.917 -4.288 1.00 12.30 N ATOM 404 CA ASN A 25 11.416 -11.677 -3.332 1.00 50.32 C ATOM 405 C ASN A 25 11.290 -11.105 -1.914 1.00 53.12 C ATOM 406 O ASN A 25 11.431 -11.830 -0.927 1.00 23.11 O ATOM 407 CB ASN A 25 12.901 -11.646 -3.776 1.00 25.41 C ATOM 408 CG ASN A 25 13.117 -12.187 -5.189 1.00 11.14 C ATOM 409 OD1 ASN A 25 13.028 -11.449 -6.169 1.00 62.54 O ATOM 410 ND2 ASN A 25 13.392 -13.474 -5.309 1.00 54.34 N ATOM 0 H ASN A 25 11.136 -10.307 -4.897 1.00 12.30 H new ATOM 0 HA ASN A 25 11.058 -12.706 -3.320 1.00 50.32 H new ATOM 0 HB2 ASN A 25 13.267 -10.621 -3.726 1.00 25.41 H new ATOM 0 HB3 ASN A 25 13.496 -12.231 -3.075 1.00 25.41 H new ATOM 0 HD21 ASN A 25 13.537 -13.881 -6.233 1.00 54.34 H new ATOM 0 HD22 ASN A 25 13.459 -14.061 -4.477 1.00 54.34 H new ATOM 417 N SER A 26 11.005 -9.804 -1.829 1.00 32.55 N ATOM 418 CA SER A 26 10.958 -9.074 -0.564 1.00 51.31 C ATOM 419 C SER A 26 9.622 -9.302 0.166 1.00 70.52 C ATOM 420 O SER A 26 8.542 -9.184 -0.432 1.00 63.21 O ATOM 421 CB SER A 26 11.192 -7.581 -0.838 1.00 74.13 C ATOM 422 OG SER A 26 12.460 -7.360 -1.443 1.00 34.52 O ATOM 0 H SER A 26 10.799 -9.225 -2.643 1.00 32.55 H new ATOM 0 HA SER A 26 11.744 -9.447 0.092 1.00 51.31 H new ATOM 0 HB2 SER A 26 10.405 -7.201 -1.489 1.00 74.13 H new ATOM 0 HB3 SER A 26 11.130 -7.023 0.097 1.00 74.13 H new ATOM 0 HG SER A 26 13.095 -7.046 -0.766 1.00 34.52 H new ATOM 428 N LYS A 27 9.716 -9.659 1.462 1.00 23.41 N ATOM 429 CA LYS A 27 8.555 -9.832 2.340 1.00 42.11 C ATOM 430 C LYS A 27 7.972 -8.456 2.706 1.00 25.21 C ATOM 431 O LYS A 27 8.691 -7.584 3.222 1.00 31.24 O ATOM 432 CB LYS A 27 8.952 -10.635 3.606 1.00 10.12 C ATOM 433 CG LYS A 27 7.797 -10.897 4.605 1.00 51.22 C ATOM 434 CD LYS A 27 8.217 -11.818 5.780 1.00 22.34 C ATOM 435 CE LYS A 27 8.481 -13.271 5.345 1.00 64.43 C ATOM 436 NZ LYS A 27 7.267 -13.907 4.759 1.00 75.14 N ATOM 0 H LYS A 27 10.607 -9.835 1.926 1.00 23.41 H new ATOM 0 HA LYS A 27 7.786 -10.400 1.817 1.00 42.11 H new ATOM 0 HB2 LYS A 27 9.367 -11.594 3.294 1.00 10.12 H new ATOM 0 HB3 LYS A 27 9.746 -10.097 4.125 1.00 10.12 H new ATOM 0 HG2 LYS A 27 7.444 -9.946 5.003 1.00 51.22 H new ATOM 0 HG3 LYS A 27 6.960 -11.351 4.075 1.00 51.22 H new ATOM 0 HD2 LYS A 27 9.117 -11.415 6.245 1.00 22.34 H new ATOM 0 HD3 LYS A 27 7.434 -11.809 6.539 1.00 22.34 H new ATOM 0 HE2 LYS A 27 9.289 -13.289 4.614 1.00 64.43 H new ATOM 0 HE3 LYS A 27 8.816 -13.852 6.205 1.00 64.43 H new ATOM 0 HZ1 LYS A 27 7.422 -14.931 4.668 1.00 75.14 H new ATOM 0 HZ2 LYS A 27 6.451 -13.734 5.380 1.00 75.14 H new ATOM 0 HZ3 LYS A 27 7.081 -13.500 3.820 1.00 75.14 H new ATOM 450 N VAL A 28 6.677 -8.270 2.407 1.00 44.34 N ATOM 451 CA VAL A 28 5.974 -7.003 2.627 1.00 24.44 C ATOM 452 C VAL A 28 5.155 -7.085 3.931 1.00 23.03 C ATOM 453 O VAL A 28 4.200 -7.860 4.029 1.00 34.24 O ATOM 454 CB VAL A 28 5.019 -6.678 1.413 1.00 70.53 C ATOM 455 CG1 VAL A 28 4.369 -5.292 1.589 1.00 74.34 C ATOM 456 CG2 VAL A 28 5.778 -6.770 0.068 1.00 53.34 C ATOM 0 H VAL A 28 6.088 -8.999 2.004 1.00 44.34 H new ATOM 0 HA VAL A 28 6.711 -6.204 2.710 1.00 24.44 H new ATOM 0 HB VAL A 28 4.225 -7.425 1.397 1.00 70.53 H new ATOM 0 HG11 VAL A 28 3.715 -5.087 0.742 1.00 74.34 H new ATOM 0 HG12 VAL A 28 3.786 -5.278 2.510 1.00 74.34 H new ATOM 0 HG13 VAL A 28 5.146 -4.529 1.640 1.00 74.34 H new ATOM 0 HG21 VAL A 28 5.096 -6.541 -0.751 1.00 53.34 H new ATOM 0 HG22 VAL A 28 6.601 -6.055 0.065 1.00 53.34 H new ATOM 0 HG23 VAL A 28 6.172 -7.778 -0.059 1.00 53.34 H new ATOM 466 N GLN A 29 5.554 -6.291 4.930 1.00 52.11 N ATOM 467 CA GLN A 29 4.826 -6.157 6.205 1.00 10.52 C ATOM 468 C GLN A 29 3.883 -4.943 6.117 1.00 5.02 C ATOM 469 O GLN A 29 4.143 -4.009 5.366 1.00 31.32 O ATOM 470 CB GLN A 29 5.855 -5.995 7.367 1.00 20.22 C ATOM 471 CG GLN A 29 5.263 -5.773 8.784 1.00 45.12 C ATOM 472 CD GLN A 29 4.234 -6.825 9.244 1.00 10.51 C ATOM 473 OE1 GLN A 29 3.310 -6.504 9.991 1.00 33.51 O ATOM 474 NE2 GLN A 29 4.384 -8.079 8.832 1.00 25.04 N ATOM 0 H GLN A 29 6.396 -5.718 4.881 1.00 52.11 H new ATOM 0 HA GLN A 29 4.226 -7.046 6.402 1.00 10.52 H new ATOM 0 HB2 GLN A 29 6.483 -6.885 7.394 1.00 20.22 H new ATOM 0 HB3 GLN A 29 6.506 -5.153 7.132 1.00 20.22 H new ATOM 0 HG2 GLN A 29 6.083 -5.753 9.502 1.00 45.12 H new ATOM 0 HG3 GLN A 29 4.791 -4.791 8.812 1.00 45.12 H new ATOM 0 HE21 GLN A 29 5.157 -8.323 8.213 1.00 25.04 H new ATOM 0 HE22 GLN A 29 3.726 -8.797 9.135 1.00 25.04 H new ATOM 483 N VAL A 30 2.770 -4.976 6.863 1.00 62.44 N ATOM 484 CA VAL A 30 1.875 -3.818 7.017 1.00 15.15 C ATOM 485 C VAL A 30 2.381 -2.945 8.189 1.00 41.54 C ATOM 486 O VAL A 30 2.265 -3.322 9.364 1.00 55.54 O ATOM 487 CB VAL A 30 0.370 -4.267 7.209 1.00 24.42 C ATOM 488 CG1 VAL A 30 0.208 -5.349 8.309 1.00 14.40 C ATOM 489 CG2 VAL A 30 -0.550 -3.046 7.478 1.00 22.42 C ATOM 0 H VAL A 30 2.464 -5.803 7.376 1.00 62.44 H new ATOM 0 HA VAL A 30 1.894 -3.222 6.105 1.00 15.15 H new ATOM 0 HB VAL A 30 0.057 -4.726 6.271 1.00 24.42 H new ATOM 0 HG11 VAL A 30 -0.844 -5.621 8.400 1.00 14.40 H new ATOM 0 HG12 VAL A 30 0.789 -6.231 8.040 1.00 14.40 H new ATOM 0 HG13 VAL A 30 0.564 -4.956 9.261 1.00 14.40 H new ATOM 0 HG21 VAL A 30 -1.578 -3.386 7.606 1.00 22.42 H new ATOM 0 HG22 VAL A 30 -0.222 -2.535 8.383 1.00 22.42 H new ATOM 0 HG23 VAL A 30 -0.498 -2.358 6.634 1.00 22.42 H new ATOM 499 N ARG A 31 2.988 -1.792 7.852 1.00 65.34 N ATOM 500 CA ARG A 31 3.568 -0.862 8.843 1.00 45.01 C ATOM 501 C ARG A 31 2.452 -0.041 9.531 1.00 32.12 C ATOM 502 O ARG A 31 2.467 0.135 10.760 1.00 72.41 O ATOM 503 CB ARG A 31 4.619 0.069 8.165 1.00 60.22 C ATOM 504 CG ARG A 31 5.292 1.084 9.118 1.00 21.30 C ATOM 505 CD ARG A 31 6.067 0.406 10.267 1.00 4.52 C ATOM 506 NE ARG A 31 6.503 1.365 11.301 1.00 40.24 N ATOM 507 CZ ARG A 31 7.529 1.174 12.145 1.00 43.14 C ATOM 508 NH1 ARG A 31 8.270 0.061 12.084 1.00 52.14 N ATOM 509 NH2 ARG A 31 7.807 2.104 13.050 1.00 45.25 N ATOM 0 H ARG A 31 3.091 -1.478 6.887 1.00 65.34 H new ATOM 0 HA ARG A 31 4.080 -1.442 9.611 1.00 45.01 H new ATOM 0 HB2 ARG A 31 5.392 -0.550 7.710 1.00 60.22 H new ATOM 0 HB3 ARG A 31 4.132 0.616 7.358 1.00 60.22 H new ATOM 0 HG2 ARG A 31 5.975 1.713 8.547 1.00 21.30 H new ATOM 0 HG3 ARG A 31 4.530 1.741 9.538 1.00 21.30 H new ATOM 0 HD2 ARG A 31 5.436 -0.356 10.726 1.00 4.52 H new ATOM 0 HD3 ARG A 31 6.939 -0.105 9.860 1.00 4.52 H new ATOM 0 HE ARG A 31 5.985 2.240 11.380 1.00 40.24 H new ATOM 0 HH11 ARG A 31 8.058 -0.655 11.390 1.00 52.14 H new ATOM 0 HH12 ARG A 31 9.047 -0.071 12.732 1.00 52.14 H new ATOM 0 HH21 ARG A 31 7.243 2.953 13.099 1.00 45.25 H new ATOM 0 HH22 ARG A 31 8.584 1.970 13.697 1.00 45.25 H new ATOM 523 N ARG A 32 1.481 0.428 8.727 1.00 40.23 N ATOM 524 CA ARG A 32 0.331 1.226 9.200 1.00 61.31 C ATOM 525 C ARG A 32 -0.693 1.372 8.063 1.00 24.41 C ATOM 526 O ARG A 32 -0.347 1.247 6.890 1.00 24.21 O ATOM 527 CB ARG A 32 0.812 2.631 9.697 1.00 61.11 C ATOM 528 CG ARG A 32 -0.277 3.566 10.286 1.00 14.31 C ATOM 529 CD ARG A 32 -0.985 2.968 11.519 1.00 34.13 C ATOM 530 NE ARG A 32 -0.049 2.687 12.630 1.00 14.33 N ATOM 531 CZ ARG A 32 0.069 3.408 13.760 1.00 24.15 C ATOM 532 NH1 ARG A 32 -0.696 4.480 13.973 1.00 32.22 N ATOM 533 NH2 ARG A 32 0.950 3.042 14.685 1.00 2.21 N ATOM 0 H ARG A 32 1.471 0.263 7.720 1.00 40.23 H new ATOM 0 HA ARG A 32 -0.143 0.715 10.039 1.00 61.31 H new ATOM 0 HB2 ARG A 32 1.579 2.480 10.456 1.00 61.11 H new ATOM 0 HB3 ARG A 32 1.287 3.145 8.861 1.00 61.11 H new ATOM 0 HG2 ARG A 32 0.179 4.517 10.562 1.00 14.31 H new ATOM 0 HG3 ARG A 32 -1.019 3.780 9.517 1.00 14.31 H new ATOM 0 HD2 ARG A 32 -1.754 3.659 11.863 1.00 34.13 H new ATOM 0 HD3 ARG A 32 -1.490 2.046 11.232 1.00 34.13 H new ATOM 0 HE ARG A 32 0.561 1.875 12.531 1.00 14.33 H new ATOM 0 HH11 ARG A 32 -1.383 4.764 13.274 1.00 32.22 H new ATOM 0 HH12 ARG A 32 -0.594 5.016 14.835 1.00 32.22 H new ATOM 0 HH21 ARG A 32 1.533 2.218 14.537 1.00 2.21 H new ATOM 0 HH22 ARG A 32 1.044 3.585 15.543 1.00 2.21 H new ATOM 547 N VAL A 33 -1.967 1.603 8.427 1.00 22.11 N ATOM 548 CA VAL A 33 -3.036 1.937 7.469 1.00 40.22 C ATOM 549 C VAL A 33 -3.556 3.345 7.796 1.00 13.12 C ATOM 550 O VAL A 33 -4.055 3.569 8.902 1.00 63.40 O ATOM 551 CB VAL A 33 -4.234 0.912 7.544 1.00 51.43 C ATOM 552 CG1 VAL A 33 -5.268 1.173 6.423 1.00 53.21 C ATOM 553 CG2 VAL A 33 -3.712 -0.531 7.503 1.00 70.15 C ATOM 0 H VAL A 33 -2.285 1.563 9.395 1.00 22.11 H new ATOM 0 HA VAL A 33 -2.624 1.892 6.461 1.00 40.22 H new ATOM 0 HB VAL A 33 -4.747 1.057 8.495 1.00 51.43 H new ATOM 0 HG11 VAL A 33 -6.080 0.451 6.502 1.00 53.21 H new ATOM 0 HG12 VAL A 33 -5.668 2.182 6.525 1.00 53.21 H new ATOM 0 HG13 VAL A 33 -4.785 1.071 5.451 1.00 53.21 H new ATOM 0 HG21 VAL A 33 -4.552 -1.223 7.556 1.00 70.15 H new ATOM 0 HG22 VAL A 33 -3.165 -0.694 6.574 1.00 70.15 H new ATOM 0 HG23 VAL A 33 -3.047 -0.702 8.350 1.00 70.15 H new ATOM 563 N GLN A 34 -3.402 4.289 6.865 1.00 51.52 N ATOM 564 CA GLN A 34 -3.954 5.655 6.999 1.00 54.11 C ATOM 565 C GLN A 34 -5.189 5.796 6.102 1.00 33.52 C ATOM 566 O GLN A 34 -5.227 5.214 5.033 1.00 25.23 O ATOM 567 CB GLN A 34 -2.887 6.707 6.633 1.00 34.45 C ATOM 568 CG GLN A 34 -1.689 6.705 7.591 1.00 1.51 C ATOM 569 CD GLN A 34 -0.672 7.774 7.247 1.00 55.32 C ATOM 570 OE1 GLN A 34 -0.730 8.894 7.753 1.00 41.24 O ATOM 571 NE2 GLN A 34 0.230 7.461 6.349 1.00 61.22 N ATOM 0 H GLN A 34 -2.893 4.136 5.994 1.00 51.52 H new ATOM 0 HA GLN A 34 -4.248 5.824 8.035 1.00 54.11 H new ATOM 0 HB2 GLN A 34 -2.534 6.521 5.619 1.00 34.45 H new ATOM 0 HB3 GLN A 34 -3.345 7.696 6.635 1.00 34.45 H new ATOM 0 HG2 GLN A 34 -2.042 6.858 8.611 1.00 1.51 H new ATOM 0 HG3 GLN A 34 -1.208 5.727 7.564 1.00 1.51 H new ATOM 0 HE21 GLN A 34 0.249 6.522 5.951 1.00 61.22 H new ATOM 0 HE22 GLN A 34 0.913 8.156 6.049 1.00 61.22 H new ATOM 580 N LYS A 35 -6.186 6.573 6.542 1.00 22.24 N ATOM 581 CA LYS A 35 -7.449 6.760 5.804 1.00 5.23 C ATOM 582 C LYS A 35 -7.788 8.256 5.858 1.00 55.22 C ATOM 583 O LYS A 35 -7.975 8.809 6.943 1.00 53.03 O ATOM 584 CB LYS A 35 -8.560 5.867 6.447 1.00 74.13 C ATOM 585 CG LYS A 35 -9.845 5.629 5.602 1.00 35.55 C ATOM 586 CD LYS A 35 -10.876 6.787 5.615 1.00 63.04 C ATOM 587 CE LYS A 35 -12.196 6.401 4.913 1.00 22.23 C ATOM 588 NZ LYS A 35 -13.226 7.478 5.001 1.00 40.23 N ATOM 0 H LYS A 35 -6.144 7.091 7.419 1.00 22.24 H new ATOM 0 HA LYS A 35 -7.366 6.455 4.761 1.00 5.23 H new ATOM 0 HB2 LYS A 35 -8.123 4.896 6.681 1.00 74.13 H new ATOM 0 HB3 LYS A 35 -8.855 6.320 7.393 1.00 74.13 H new ATOM 0 HG2 LYS A 35 -9.550 5.440 4.570 1.00 35.55 H new ATOM 0 HG3 LYS A 35 -10.335 4.725 5.964 1.00 35.55 H new ATOM 0 HD2 LYS A 35 -11.085 7.073 6.646 1.00 63.04 H new ATOM 0 HD3 LYS A 35 -10.446 7.659 5.123 1.00 63.04 H new ATOM 0 HE2 LYS A 35 -11.995 6.180 3.865 1.00 22.23 H new ATOM 0 HE3 LYS A 35 -12.589 5.489 5.362 1.00 22.23 H new ATOM 0 HZ1 LYS A 35 -14.174 7.051 5.019 1.00 40.23 H new ATOM 0 HZ2 LYS A 35 -13.078 8.029 5.870 1.00 40.23 H new ATOM 0 HZ3 LYS A 35 -13.144 8.105 4.175 1.00 40.23 H new ATOM 602 N GLN A 36 -7.824 8.898 4.682 1.00 33.14 N ATOM 603 CA GLN A 36 -8.042 10.352 4.539 1.00 62.53 C ATOM 604 C GLN A 36 -9.098 10.589 3.439 1.00 33.45 C ATOM 605 O GLN A 36 -8.770 10.574 2.246 1.00 41.21 O ATOM 606 CB GLN A 36 -6.701 11.076 4.184 1.00 55.43 C ATOM 607 CG GLN A 36 -5.584 10.941 5.239 1.00 2.01 C ATOM 608 CD GLN A 36 -4.252 11.554 4.797 1.00 63.51 C ATOM 609 OE1 GLN A 36 -3.426 10.882 4.188 1.00 53.52 O ATOM 610 NE2 GLN A 36 -4.036 12.830 5.091 1.00 10.14 N ATOM 0 H GLN A 36 -7.701 8.420 3.789 1.00 33.14 H new ATOM 0 HA GLN A 36 -8.400 10.764 5.482 1.00 62.53 H new ATOM 0 HB2 GLN A 36 -6.334 10.682 3.236 1.00 55.43 H new ATOM 0 HB3 GLN A 36 -6.908 12.135 4.030 1.00 55.43 H new ATOM 0 HG2 GLN A 36 -5.907 11.421 6.163 1.00 2.01 H new ATOM 0 HG3 GLN A 36 -5.433 9.885 5.464 1.00 2.01 H new ATOM 0 HE21 GLN A 36 -4.742 13.363 5.599 1.00 10.14 H new ATOM 0 HE22 GLN A 36 -3.164 13.278 4.809 1.00 10.14 H new ATOM 619 N GLY A 37 -10.367 10.762 3.861 1.00 21.04 N ATOM 620 CA GLY A 37 -11.494 10.953 2.937 1.00 10.45 C ATOM 621 C GLY A 37 -11.802 9.691 2.133 1.00 72.53 C ATOM 622 O GLY A 37 -12.548 8.823 2.596 1.00 54.01 O ATOM 0 H GLY A 37 -10.634 10.773 4.845 1.00 21.04 H new ATOM 0 HA2 GLY A 37 -12.379 11.247 3.502 1.00 10.45 H new ATOM 0 HA3 GLY A 37 -11.266 11.771 2.253 1.00 10.45 H new ATOM 626 N ASN A 38 -11.204 9.580 0.933 1.00 71.52 N ATOM 627 CA ASN A 38 -11.303 8.382 0.066 1.00 63.23 C ATOM 628 C ASN A 38 -9.932 7.698 -0.077 1.00 75.23 C ATOM 629 O ASN A 38 -9.866 6.498 -0.358 1.00 70.01 O ATOM 630 CB ASN A 38 -11.864 8.749 -1.341 1.00 53.40 C ATOM 631 CG ASN A 38 -13.326 9.217 -1.318 1.00 11.23 C ATOM 632 OD1 ASN A 38 -14.261 8.275 -1.429 1.00 5.33 O flip ATOM 633 ND2 ASN A 38 -13.615 10.406 -1.190 1.00 65.41 N flip ATOM 0 H ASN A 38 -10.633 10.323 0.531 1.00 71.52 H new ATOM 0 HA ASN A 38 -11.996 7.688 0.542 1.00 63.23 H new ATOM 0 HB2 ASN A 38 -11.247 9.535 -1.775 1.00 53.40 H new ATOM 0 HB3 ASN A 38 -11.780 7.880 -1.994 1.00 53.40 H new ATOM 0 HD21 ASN A 38 -12.876 11.104 -1.107 1.00 65.41 H new ATOM 0 HD22 ASN A 38 -14.593 10.693 -1.167 1.00 65.41 H new ATOM 640 N THR A 39 -8.841 8.471 0.097 1.00 0.50 N ATOM 641 CA THR A 39 -7.468 7.976 -0.081 1.00 52.23 C ATOM 642 C THR A 39 -6.977 7.234 1.171 1.00 14.02 C ATOM 643 O THR A 39 -6.655 7.860 2.192 1.00 75.11 O ATOM 644 CB THR A 39 -6.468 9.135 -0.411 1.00 31.35 C ATOM 645 OG1 THR A 39 -6.989 9.944 -1.477 1.00 31.02 O ATOM 646 CG2 THR A 39 -5.078 8.596 -0.815 1.00 53.11 C ATOM 0 H THR A 39 -8.891 9.454 0.364 1.00 0.50 H new ATOM 0 HA THR A 39 -7.496 7.286 -0.924 1.00 52.23 H new ATOM 0 HB THR A 39 -6.352 9.734 0.492 1.00 31.35 H new ATOM 0 HG1 THR A 39 -6.359 10.667 -1.677 1.00 31.02 H new ATOM 0 HG21 THR A 39 -4.414 9.432 -1.036 1.00 53.11 H new ATOM 0 HG22 THR A 39 -4.663 8.009 0.005 1.00 53.11 H new ATOM 0 HG23 THR A 39 -5.175 7.966 -1.699 1.00 53.11 H new ATOM 654 N ILE A 40 -6.954 5.901 1.093 1.00 61.44 N ATOM 655 CA ILE A 40 -6.286 5.068 2.096 1.00 32.22 C ATOM 656 C ILE A 40 -4.796 4.915 1.714 1.00 1.34 C ATOM 657 O ILE A 40 -4.456 4.212 0.756 1.00 5.25 O ATOM 658 CB ILE A 40 -6.975 3.656 2.247 1.00 12.33 C ATOM 659 CG1 ILE A 40 -8.462 3.842 2.667 1.00 33.32 C ATOM 660 CG2 ILE A 40 -6.217 2.754 3.261 1.00 63.31 C ATOM 661 CD1 ILE A 40 -9.225 2.564 2.960 1.00 63.12 C ATOM 0 H ILE A 40 -7.394 5.372 0.340 1.00 61.44 H new ATOM 0 HA ILE A 40 -6.369 5.560 3.065 1.00 32.22 H new ATOM 0 HB ILE A 40 -6.938 3.150 1.282 1.00 12.33 H new ATOM 0 HG12 ILE A 40 -8.494 4.475 3.554 1.00 33.32 H new ATOM 0 HG13 ILE A 40 -8.981 4.380 1.873 1.00 33.32 H new ATOM 0 HG21 ILE A 40 -6.721 1.791 3.338 1.00 63.31 H new ATOM 0 HG22 ILE A 40 -5.194 2.602 2.918 1.00 63.31 H new ATOM 0 HG23 ILE A 40 -6.204 3.236 4.238 1.00 63.31 H new ATOM 0 HD11 ILE A 40 -10.249 2.808 3.243 1.00 63.12 H new ATOM 0 HD12 ILE A 40 -9.235 1.934 2.071 1.00 63.12 H new ATOM 0 HD13 ILE A 40 -8.740 2.030 3.778 1.00 63.12 H new ATOM 673 N ARG A 41 -3.924 5.600 2.473 1.00 1.41 N ATOM 674 CA ARG A 41 -2.471 5.521 2.295 1.00 63.53 C ATOM 675 C ARG A 41 -1.931 4.427 3.215 1.00 44.14 C ATOM 676 O ARG A 41 -1.739 4.648 4.417 1.00 73.34 O ATOM 677 CB ARG A 41 -1.801 6.882 2.630 1.00 41.10 C ATOM 678 CG ARG A 41 -2.204 8.046 1.703 1.00 41.32 C ATOM 679 CD ARG A 41 -1.451 9.342 2.047 1.00 30.22 C ATOM 680 NE ARG A 41 -1.737 10.446 1.108 1.00 30.44 N ATOM 681 CZ ARG A 41 -1.608 11.755 1.396 1.00 72.23 C ATOM 682 NH1 ARG A 41 -1.205 12.156 2.603 1.00 53.22 N ATOM 683 NH2 ARG A 41 -1.856 12.660 0.454 1.00 34.13 N ATOM 0 H ARG A 41 -4.211 6.224 3.227 1.00 1.41 H new ATOM 0 HA ARG A 41 -2.243 5.284 1.256 1.00 63.53 H new ATOM 0 HB2 ARG A 41 -2.050 7.151 3.657 1.00 41.10 H new ATOM 0 HB3 ARG A 41 -0.719 6.759 2.586 1.00 41.10 H new ATOM 0 HG2 ARG A 41 -2.001 7.772 0.668 1.00 41.32 H new ATOM 0 HG3 ARG A 41 -3.277 8.218 1.782 1.00 41.32 H new ATOM 0 HD2 ARG A 41 -1.719 9.653 3.057 1.00 30.22 H new ATOM 0 HD3 ARG A 41 -0.379 9.143 2.048 1.00 30.22 H new ATOM 0 HE ARG A 41 -2.056 10.198 0.171 1.00 30.44 H new ATOM 0 HH11 ARG A 41 -0.989 11.467 3.324 1.00 53.22 H new ATOM 0 HH12 ARG A 41 -1.112 13.151 2.805 1.00 53.22 H new ATOM 0 HH21 ARG A 41 -2.142 12.361 -0.478 1.00 34.13 H new ATOM 0 HH22 ARG A 41 -1.761 13.654 0.664 1.00 34.13 H new ATOM 697 N VAL A 42 -1.742 3.230 2.661 1.00 24.10 N ATOM 698 CA VAL A 42 -1.162 2.119 3.413 1.00 34.44 C ATOM 699 C VAL A 42 0.359 2.296 3.442 1.00 54.34 C ATOM 700 O VAL A 42 0.997 2.418 2.392 1.00 23.13 O ATOM 701 CB VAL A 42 -1.543 0.719 2.807 1.00 3.13 C ATOM 702 CG1 VAL A 42 -1.024 -0.436 3.696 1.00 24.54 C ATOM 703 CG2 VAL A 42 -3.062 0.603 2.618 1.00 4.51 C ATOM 0 H VAL A 42 -1.982 3.005 1.695 1.00 24.10 H new ATOM 0 HA VAL A 42 -1.568 2.136 4.424 1.00 34.44 H new ATOM 0 HB VAL A 42 -1.063 0.639 1.832 1.00 3.13 H new ATOM 0 HG11 VAL A 42 -1.303 -1.391 3.251 1.00 24.54 H new ATOM 0 HG12 VAL A 42 0.061 -0.375 3.774 1.00 24.54 H new ATOM 0 HG13 VAL A 42 -1.464 -0.356 4.690 1.00 24.54 H new ATOM 0 HG21 VAL A 42 -3.303 -0.373 2.198 1.00 4.51 H new ATOM 0 HG22 VAL A 42 -3.558 0.715 3.582 1.00 4.51 H new ATOM 0 HG23 VAL A 42 -3.405 1.384 1.940 1.00 4.51 H new ATOM 713 N GLU A 43 0.907 2.396 4.651 1.00 42.34 N ATOM 714 CA GLU A 43 2.350 2.360 4.886 1.00 3.31 C ATOM 715 C GLU A 43 2.764 0.890 4.979 1.00 43.30 C ATOM 716 O GLU A 43 2.292 0.172 5.866 1.00 74.53 O ATOM 717 CB GLU A 43 2.684 3.103 6.206 1.00 13.04 C ATOM 718 CG GLU A 43 2.058 4.507 6.324 1.00 34.01 C ATOM 719 CD GLU A 43 2.482 5.479 5.207 1.00 52.34 C ATOM 720 OE1 GLU A 43 3.626 5.985 5.255 1.00 51.35 O ATOM 721 OE2 GLU A 43 1.669 5.769 4.296 1.00 53.11 O ATOM 0 H GLU A 43 0.358 2.505 5.503 1.00 42.34 H new ATOM 0 HA GLU A 43 2.889 2.852 4.077 1.00 3.31 H new ATOM 0 HB2 GLU A 43 2.345 2.496 7.046 1.00 13.04 H new ATOM 0 HB3 GLU A 43 3.767 3.193 6.294 1.00 13.04 H new ATOM 0 HG2 GLU A 43 0.972 4.411 6.315 1.00 34.01 H new ATOM 0 HG3 GLU A 43 2.332 4.936 7.288 1.00 34.01 H new ATOM 728 N LEU A 44 3.585 0.420 4.039 1.00 60.42 N ATOM 729 CA LEU A 44 4.070 -0.970 4.047 1.00 50.42 C ATOM 730 C LEU A 44 5.585 -0.981 4.187 1.00 23.22 C ATOM 731 O LEU A 44 6.273 -0.144 3.616 1.00 41.25 O ATOM 732 CB LEU A 44 3.644 -1.755 2.774 1.00 30.34 C ATOM 733 CG LEU A 44 2.151 -1.605 2.322 1.00 42.34 C ATOM 734 CD1 LEU A 44 1.973 -0.393 1.393 1.00 73.50 C ATOM 735 CD2 LEU A 44 1.609 -2.881 1.655 1.00 60.44 C ATOM 0 H LEU A 44 3.931 0.979 3.259 1.00 60.42 H new ATOM 0 HA LEU A 44 3.613 -1.473 4.899 1.00 50.42 H new ATOM 0 HB2 LEU A 44 4.283 -1.439 1.949 1.00 30.34 H new ATOM 0 HB3 LEU A 44 3.844 -2.813 2.944 1.00 30.34 H new ATOM 0 HG LEU A 44 1.566 -1.440 3.227 1.00 42.34 H new ATOM 0 HD11 LEU A 44 0.928 -0.313 1.095 1.00 73.50 H new ATOM 0 HD12 LEU A 44 2.271 0.515 1.918 1.00 73.50 H new ATOM 0 HD13 LEU A 44 2.594 -0.520 0.506 1.00 73.50 H new ATOM 0 HD21 LEU A 44 0.571 -2.725 1.360 1.00 60.44 H new ATOM 0 HD22 LEU A 44 2.206 -3.112 0.773 1.00 60.44 H new ATOM 0 HD23 LEU A 44 1.665 -3.711 2.359 1.00 60.44 H new ATOM 747 N GLU A 45 6.088 -1.956 4.932 1.00 63.22 N ATOM 748 CA GLU A 45 7.507 -2.086 5.255 1.00 43.31 C ATOM 749 C GLU A 45 8.095 -3.265 4.448 1.00 11.24 C ATOM 750 O GLU A 45 7.855 -4.434 4.755 1.00 51.23 O ATOM 751 CB GLU A 45 7.608 -2.299 6.789 1.00 44.35 C ATOM 752 CG GLU A 45 9.026 -2.342 7.377 1.00 44.30 C ATOM 753 CD GLU A 45 9.003 -2.518 8.907 1.00 20.13 C ATOM 754 OE1 GLU A 45 9.088 -3.663 9.389 1.00 40.45 O ATOM 755 OE2 GLU A 45 8.866 -1.510 9.636 1.00 72.02 O ATOM 0 H GLU A 45 5.512 -2.694 5.338 1.00 63.22 H new ATOM 0 HA GLU A 45 8.081 -1.199 4.987 1.00 43.31 H new ATOM 0 HB2 GLU A 45 7.057 -1.499 7.283 1.00 44.35 H new ATOM 0 HB3 GLU A 45 7.105 -3.233 7.039 1.00 44.35 H new ATOM 0 HG2 GLU A 45 9.583 -3.163 6.925 1.00 44.30 H new ATOM 0 HG3 GLU A 45 9.553 -1.422 7.124 1.00 44.30 H new ATOM 762 N LEU A 46 8.858 -2.925 3.400 1.00 34.23 N ATOM 763 CA LEU A 46 9.443 -3.891 2.447 1.00 12.54 C ATOM 764 C LEU A 46 10.972 -3.803 2.532 1.00 44.10 C ATOM 765 O LEU A 46 11.537 -2.709 2.557 1.00 45.32 O ATOM 766 CB LEU A 46 8.898 -3.587 1.007 1.00 13.45 C ATOM 767 CG LEU A 46 9.421 -4.469 -0.197 1.00 23.34 C ATOM 768 CD1 LEU A 46 8.419 -4.498 -1.365 1.00 25.21 C ATOM 769 CD2 LEU A 46 10.783 -3.982 -0.734 1.00 60.30 C ATOM 0 H LEU A 46 9.093 -1.956 3.183 1.00 34.23 H new ATOM 0 HA LEU A 46 9.156 -4.914 2.692 1.00 12.54 H new ATOM 0 HB2 LEU A 46 7.812 -3.677 1.037 1.00 13.45 H new ATOM 0 HB3 LEU A 46 9.125 -2.546 0.779 1.00 13.45 H new ATOM 0 HG LEU A 46 9.537 -5.474 0.209 1.00 23.34 H new ATOM 0 HD11 LEU A 46 8.817 -5.115 -2.171 1.00 25.21 H new ATOM 0 HD12 LEU A 46 7.472 -4.916 -1.022 1.00 25.21 H new ATOM 0 HD13 LEU A 46 8.257 -3.484 -1.730 1.00 25.21 H new ATOM 0 HD21 LEU A 46 11.098 -4.621 -1.559 1.00 60.30 H new ATOM 0 HD22 LEU A 46 10.689 -2.954 -1.085 1.00 60.30 H new ATOM 0 HD23 LEU A 46 11.525 -4.026 0.063 1.00 60.30 H new ATOM 781 N ARG A 47 11.638 -4.964 2.566 1.00 72.11 N ATOM 782 CA ARG A 47 13.104 -5.028 2.682 1.00 12.45 C ATOM 783 C ARG A 47 13.711 -5.354 1.302 1.00 14.31 C ATOM 784 O ARG A 47 13.771 -6.517 0.912 1.00 62.32 O ATOM 785 CB ARG A 47 13.485 -6.110 3.738 1.00 73.33 C ATOM 786 CG ARG A 47 12.730 -5.979 5.083 1.00 3.14 C ATOM 787 CD ARG A 47 12.961 -7.177 6.019 1.00 4.41 C ATOM 788 NE ARG A 47 12.554 -8.456 5.402 1.00 21.21 N ATOM 789 CZ ARG A 47 12.509 -9.648 6.026 1.00 4.04 C ATOM 790 NH1 ARG A 47 12.840 -9.770 7.315 1.00 2.40 N ATOM 791 NH2 ARG A 47 12.165 -10.734 5.336 1.00 14.30 N ATOM 0 H ARG A 47 11.185 -5.876 2.515 1.00 72.11 H new ATOM 0 HA ARG A 47 13.503 -4.069 3.012 1.00 12.45 H new ATOM 0 HB2 ARG A 47 13.288 -7.096 3.318 1.00 73.33 H new ATOM 0 HB3 ARG A 47 14.557 -6.053 3.929 1.00 73.33 H new ATOM 0 HG2 ARG A 47 13.049 -5.066 5.585 1.00 3.14 H new ATOM 0 HG3 ARG A 47 11.663 -5.879 4.886 1.00 3.14 H new ATOM 0 HD2 ARG A 47 14.016 -7.226 6.290 1.00 4.41 H new ATOM 0 HD3 ARG A 47 12.402 -7.027 6.942 1.00 4.41 H new ATOM 0 HE ARG A 47 12.284 -8.434 4.419 1.00 21.21 H new ATOM 0 HH11 ARG A 47 13.134 -8.950 7.846 1.00 2.40 H new ATOM 0 HH12 ARG A 47 12.799 -10.683 7.768 1.00 2.40 H new ATOM 0 HH21 ARG A 47 11.939 -10.658 4.344 1.00 14.30 H new ATOM 0 HH22 ARG A 47 12.128 -11.642 5.799 1.00 14.30 H new ATOM 805 N THR A 48 14.168 -4.311 0.581 1.00 73.43 N ATOM 806 CA THR A 48 14.781 -4.446 -0.754 1.00 33.42 C ATOM 807 C THR A 48 16.219 -4.975 -0.615 1.00 23.24 C ATOM 808 O THR A 48 17.149 -4.205 -0.323 1.00 53.43 O ATOM 809 CB THR A 48 14.772 -3.079 -1.527 1.00 21.50 C ATOM 810 OG1 THR A 48 13.428 -2.604 -1.648 1.00 11.14 O ATOM 811 CG2 THR A 48 15.386 -3.191 -2.938 1.00 74.32 C ATOM 0 H THR A 48 14.122 -3.347 0.911 1.00 73.43 H new ATOM 0 HA THR A 48 14.191 -5.157 -1.332 1.00 33.42 H new ATOM 0 HB THR A 48 15.382 -2.384 -0.950 1.00 21.50 H new ATOM 0 HG1 THR A 48 13.417 -1.628 -1.559 1.00 11.14 H new ATOM 0 HG21 THR A 48 15.354 -2.217 -3.427 1.00 74.32 H new ATOM 0 HG22 THR A 48 16.421 -3.524 -2.859 1.00 74.32 H new ATOM 0 HG23 THR A 48 14.817 -3.911 -3.526 1.00 74.32 H new ATOM 819 N ASN A 49 16.374 -6.308 -0.771 1.00 4.45 N ATOM 820 CA ASN A 49 17.669 -7.016 -0.651 1.00 30.32 C ATOM 821 C ASN A 49 18.278 -6.843 0.767 1.00 41.51 C ATOM 822 O ASN A 49 19.501 -6.940 0.955 1.00 51.10 O ATOM 823 CB ASN A 49 18.667 -6.554 -1.761 1.00 43.31 C ATOM 824 CG ASN A 49 18.179 -6.795 -3.197 1.00 61.03 C ATOM 825 OD1 ASN A 49 16.978 -6.775 -3.485 1.00 52.14 O ATOM 826 ND2 ASN A 49 19.109 -6.995 -4.122 1.00 52.23 N ATOM 0 H ASN A 49 15.595 -6.930 -0.986 1.00 4.45 H new ATOM 0 HA ASN A 49 17.481 -8.080 -0.797 1.00 30.32 H new ATOM 0 HB2 ASN A 49 18.867 -5.490 -1.632 1.00 43.31 H new ATOM 0 HB3 ASN A 49 19.614 -7.075 -1.620 1.00 43.31 H new ATOM 0 HD21 ASN A 49 18.838 -7.136 -5.095 1.00 52.23 H new ATOM 0 HD22 ASN A 49 20.095 -7.007 -3.860 1.00 52.23 H new ATOM 833 N GLY A 50 17.387 -6.632 1.764 1.00 52.22 N ATOM 834 CA GLY A 50 17.782 -6.431 3.163 1.00 70.43 C ATOM 835 C GLY A 50 17.799 -4.971 3.591 1.00 14.33 C ATOM 836 O GLY A 50 17.981 -4.680 4.777 1.00 10.20 O ATOM 0 H GLY A 50 16.379 -6.598 1.614 1.00 52.22 H new ATOM 0 HA2 GLY A 50 17.096 -6.981 3.807 1.00 70.43 H new ATOM 0 HA3 GLY A 50 18.774 -6.857 3.316 1.00 70.43 H new ATOM 840 N LYS A 51 17.625 -4.043 2.633 1.00 70.23 N ATOM 841 CA LYS A 51 17.495 -2.608 2.939 1.00 4.24 C ATOM 842 C LYS A 51 16.035 -2.293 3.311 1.00 24.12 C ATOM 843 O LYS A 51 15.126 -2.538 2.521 1.00 63.42 O ATOM 844 CB LYS A 51 17.948 -1.750 1.722 1.00 63.43 C ATOM 845 CG LYS A 51 19.437 -1.883 1.301 1.00 31.11 C ATOM 846 CD LYS A 51 20.452 -1.224 2.288 1.00 0.53 C ATOM 847 CE LYS A 51 20.833 -2.102 3.495 1.00 52.15 C ATOM 848 NZ LYS A 51 21.813 -1.425 4.391 1.00 62.14 N ATOM 0 H LYS A 51 17.571 -4.263 1.638 1.00 70.23 H new ATOM 0 HA LYS A 51 18.138 -2.361 3.784 1.00 4.24 H new ATOM 0 HB2 LYS A 51 17.326 -2.014 0.867 1.00 63.43 H new ATOM 0 HB3 LYS A 51 17.749 -0.703 1.949 1.00 63.43 H new ATOM 0 HG2 LYS A 51 19.680 -2.941 1.203 1.00 31.11 H new ATOM 0 HG3 LYS A 51 19.564 -1.434 0.316 1.00 31.11 H new ATOM 0 HD2 LYS A 51 21.359 -0.969 1.740 1.00 0.53 H new ATOM 0 HD3 LYS A 51 20.028 -0.289 2.655 1.00 0.53 H new ATOM 0 HE2 LYS A 51 19.935 -2.349 4.061 1.00 52.15 H new ATOM 0 HE3 LYS A 51 21.255 -3.042 3.140 1.00 52.15 H new ATOM 0 HZ1 LYS A 51 22.042 -2.050 5.190 1.00 62.14 H new ATOM 0 HZ2 LYS A 51 22.680 -1.212 3.858 1.00 62.14 H new ATOM 0 HZ3 LYS A 51 21.401 -0.540 4.751 1.00 62.14 H new ATOM 862 N LYS A 52 15.829 -1.706 4.501 1.00 54.40 N ATOM 863 CA LYS A 52 14.487 -1.438 5.043 1.00 33.11 C ATOM 864 C LYS A 52 13.917 -0.151 4.434 1.00 64.44 C ATOM 865 O LYS A 52 14.400 0.954 4.717 1.00 73.21 O ATOM 866 CB LYS A 52 14.552 -1.319 6.584 1.00 24.30 C ATOM 867 CG LYS A 52 13.189 -1.051 7.256 1.00 31.20 C ATOM 868 CD LYS A 52 13.308 -0.905 8.784 1.00 33.14 C ATOM 869 CE LYS A 52 11.970 -0.571 9.441 1.00 71.32 C ATOM 870 NZ LYS A 52 12.070 -0.525 10.920 1.00 63.23 N ATOM 0 H LYS A 52 16.587 -1.404 5.114 1.00 54.40 H new ATOM 0 HA LYS A 52 13.829 -2.267 4.782 1.00 33.11 H new ATOM 0 HB2 LYS A 52 14.970 -2.240 6.991 1.00 24.30 H new ATOM 0 HB3 LYS A 52 15.238 -0.514 6.846 1.00 24.30 H new ATOM 0 HG2 LYS A 52 12.754 -0.143 6.840 1.00 31.20 H new ATOM 0 HG3 LYS A 52 12.505 -1.868 7.024 1.00 31.20 H new ATOM 0 HD2 LYS A 52 13.696 -1.832 9.206 1.00 33.14 H new ATOM 0 HD3 LYS A 52 14.030 -0.122 9.017 1.00 33.14 H new ATOM 0 HE2 LYS A 52 11.616 0.392 9.072 1.00 71.32 H new ATOM 0 HE3 LYS A 52 11.229 -1.316 9.151 1.00 71.32 H new ATOM 0 HZ1 LYS A 52 11.140 -0.295 11.324 1.00 63.23 H new ATOM 0 HZ2 LYS A 52 12.383 -1.451 11.276 1.00 63.23 H new ATOM 0 HZ3 LYS A 52 12.758 0.203 11.199 1.00 63.23 H new ATOM 884 N GLU A 53 12.903 -0.315 3.575 1.00 72.20 N ATOM 885 CA GLU A 53 12.261 0.789 2.849 1.00 50.11 C ATOM 886 C GLU A 53 10.743 0.736 3.059 1.00 1.03 C ATOM 887 O GLU A 53 10.095 -0.253 2.706 1.00 51.12 O ATOM 888 CB GLU A 53 12.596 0.710 1.333 1.00 33.34 C ATOM 889 CG GLU A 53 14.110 0.646 1.034 1.00 33.42 C ATOM 890 CD GLU A 53 14.474 0.902 -0.432 1.00 32.43 C ATOM 891 OE1 GLU A 53 13.895 0.260 -1.332 1.00 2.34 O ATOM 892 OE2 GLU A 53 15.346 1.745 -0.697 1.00 64.31 O ATOM 0 H GLU A 53 12.501 -1.228 3.362 1.00 72.20 H new ATOM 0 HA GLU A 53 12.642 1.734 3.237 1.00 50.11 H new ATOM 0 HB2 GLU A 53 12.113 -0.170 0.909 1.00 33.34 H new ATOM 0 HB3 GLU A 53 12.172 1.579 0.830 1.00 33.34 H new ATOM 0 HG2 GLU A 53 14.623 1.379 1.657 1.00 33.42 H new ATOM 0 HG3 GLU A 53 14.484 -0.336 1.323 1.00 33.42 H new ATOM 899 N ASN A 54 10.189 1.798 3.657 1.00 43.40 N ATOM 900 CA ASN A 54 8.731 1.982 3.765 1.00 32.02 C ATOM 901 C ASN A 54 8.201 2.535 2.432 1.00 5.23 C ATOM 902 O ASN A 54 8.917 3.258 1.730 1.00 51.03 O ATOM 903 CB ASN A 54 8.377 2.938 4.934 1.00 60.54 C ATOM 904 CG ASN A 54 8.858 2.406 6.285 1.00 23.45 C ATOM 905 OD1 ASN A 54 8.147 1.663 6.966 1.00 62.10 O ATOM 906 ND2 ASN A 54 10.073 2.771 6.687 1.00 5.01 N ATOM 0 H ASN A 54 10.732 2.551 4.078 1.00 43.40 H new ATOM 0 HA ASN A 54 8.261 1.021 3.976 1.00 32.02 H new ATOM 0 HB2 ASN A 54 8.825 3.915 4.750 1.00 60.54 H new ATOM 0 HB3 ASN A 54 7.297 3.084 4.967 1.00 60.54 H new ATOM 0 HD21 ASN A 54 10.438 2.435 7.578 1.00 5.01 H new ATOM 0 HD22 ASN A 54 10.640 3.387 6.104 1.00 5.01 H new ATOM 913 N TYR A 55 6.973 2.158 2.066 1.00 2.45 N ATOM 914 CA TYR A 55 6.313 2.611 0.834 1.00 51.03 C ATOM 915 C TYR A 55 4.913 3.123 1.183 1.00 2.52 C ATOM 916 O TYR A 55 4.095 2.373 1.726 1.00 55.24 O ATOM 917 CB TYR A 55 6.197 1.449 -0.192 1.00 54.35 C ATOM 918 CG TYR A 55 7.531 0.949 -0.780 1.00 43.20 C ATOM 919 CD1 TYR A 55 7.973 1.377 -2.038 1.00 42.32 C ATOM 920 CD2 TYR A 55 8.340 0.047 -0.088 1.00 32.04 C ATOM 921 CE1 TYR A 55 9.162 0.913 -2.575 1.00 42.44 C ATOM 922 CE2 TYR A 55 9.528 -0.408 -0.622 1.00 34.34 C ATOM 923 CZ TYR A 55 9.933 0.024 -1.860 1.00 44.01 C ATOM 924 OH TYR A 55 11.116 -0.450 -2.391 1.00 11.54 O ATOM 0 H TYR A 55 6.401 1.522 2.622 1.00 2.45 H new ATOM 0 HA TYR A 55 6.908 3.407 0.386 1.00 51.03 H new ATOM 0 HB2 TYR A 55 5.695 0.610 0.290 1.00 54.35 H new ATOM 0 HB3 TYR A 55 5.557 1.774 -1.012 1.00 54.35 H new ATOM 0 HD1 TYR A 55 7.376 2.081 -2.599 1.00 42.32 H new ATOM 0 HD2 TYR A 55 8.030 -0.302 0.886 1.00 32.04 H new ATOM 0 HE1 TYR A 55 9.483 1.247 -3.551 1.00 42.44 H new ATOM 0 HE2 TYR A 55 10.139 -1.104 -0.066 1.00 34.34 H new ATOM 0 HH TYR A 55 11.872 -0.071 -1.896 1.00 11.54 H new ATOM 934 N THR A 56 4.655 4.395 0.875 1.00 11.24 N ATOM 935 CA THR A 56 3.324 4.983 0.956 1.00 53.31 C ATOM 936 C THR A 56 2.587 4.693 -0.354 1.00 3.12 C ATOM 937 O THR A 56 2.838 5.345 -1.375 1.00 61.24 O ATOM 938 CB THR A 56 3.436 6.525 1.184 1.00 4.21 C ATOM 939 OG1 THR A 56 4.154 6.781 2.402 1.00 12.52 O ATOM 940 CG2 THR A 56 2.062 7.217 1.233 1.00 71.21 C ATOM 0 H THR A 56 5.372 5.048 0.560 1.00 11.24 H new ATOM 0 HA THR A 56 2.774 4.553 1.793 1.00 53.31 H new ATOM 0 HB THR A 56 3.975 6.941 0.333 1.00 4.21 H new ATOM 0 HG1 THR A 56 3.569 6.607 3.169 1.00 12.52 H new ATOM 0 HG21 THR A 56 2.199 8.286 1.393 1.00 71.21 H new ATOM 0 HG22 THR A 56 1.539 7.055 0.290 1.00 71.21 H new ATOM 0 HG23 THR A 56 1.474 6.800 2.050 1.00 71.21 H new ATOM 948 N VAL A 57 1.706 3.686 -0.338 1.00 11.51 N ATOM 949 CA VAL A 57 0.861 3.376 -1.493 1.00 14.04 C ATOM 950 C VAL A 57 -0.497 4.029 -1.259 1.00 31.30 C ATOM 951 O VAL A 57 -1.314 3.552 -0.453 1.00 14.22 O ATOM 952 CB VAL A 57 0.714 1.830 -1.749 1.00 34.15 C ATOM 953 CG1 VAL A 57 -0.102 1.550 -3.037 1.00 72.25 C ATOM 954 CG2 VAL A 57 2.098 1.155 -1.820 1.00 21.12 C ATOM 0 H VAL A 57 1.561 3.072 0.464 1.00 11.51 H new ATOM 0 HA VAL A 57 1.331 3.771 -2.393 1.00 14.04 H new ATOM 0 HB VAL A 57 0.167 1.402 -0.909 1.00 34.15 H new ATOM 0 HG11 VAL A 57 -0.187 0.474 -3.187 1.00 72.25 H new ATOM 0 HG12 VAL A 57 -1.098 1.982 -2.938 1.00 72.25 H new ATOM 0 HG13 VAL A 57 0.404 1.997 -3.893 1.00 72.25 H new ATOM 0 HG21 VAL A 57 1.973 0.087 -1.998 1.00 21.12 H new ATOM 0 HG22 VAL A 57 2.675 1.593 -2.634 1.00 21.12 H new ATOM 0 HG23 VAL A 57 2.626 1.307 -0.878 1.00 21.12 H new ATOM 964 N GLU A 58 -0.694 5.150 -1.953 1.00 73.24 N ATOM 965 CA GLU A 58 -1.913 5.949 -1.891 1.00 71.15 C ATOM 966 C GLU A 58 -2.964 5.299 -2.788 1.00 34.14 C ATOM 967 O GLU A 58 -2.879 5.402 -4.009 1.00 70.14 O ATOM 968 CB GLU A 58 -1.613 7.397 -2.371 1.00 71.55 C ATOM 969 CG GLU A 58 -0.426 8.072 -1.665 1.00 73.12 C ATOM 970 CD GLU A 58 -0.160 9.493 -2.172 1.00 73.11 C ATOM 971 OE1 GLU A 58 0.658 9.669 -3.104 1.00 11.00 O ATOM 972 OE2 GLU A 58 -0.787 10.445 -1.656 1.00 54.34 O ATOM 0 H GLU A 58 0.006 5.534 -2.587 1.00 73.24 H new ATOM 0 HA GLU A 58 -2.284 5.995 -0.867 1.00 71.15 H new ATOM 0 HB2 GLU A 58 -1.418 7.377 -3.443 1.00 71.55 H new ATOM 0 HB3 GLU A 58 -2.503 8.007 -2.220 1.00 71.55 H new ATOM 0 HG2 GLU A 58 -0.618 8.104 -0.593 1.00 73.12 H new ATOM 0 HG3 GLU A 58 0.469 7.466 -1.810 1.00 73.12 H new ATOM 979 N VAL A 59 -3.904 4.576 -2.184 1.00 32.33 N ATOM 980 CA VAL A 59 -5.003 3.934 -2.909 1.00 51.45 C ATOM 981 C VAL A 59 -6.297 4.685 -2.563 1.00 15.22 C ATOM 982 O VAL A 59 -6.783 4.608 -1.435 1.00 61.31 O ATOM 983 CB VAL A 59 -5.120 2.415 -2.534 1.00 71.01 C ATOM 984 CG1 VAL A 59 -6.129 1.698 -3.444 1.00 2.34 C ATOM 985 CG2 VAL A 59 -3.743 1.706 -2.563 1.00 1.51 C ATOM 0 H VAL A 59 -3.927 4.417 -1.177 1.00 32.33 H new ATOM 0 HA VAL A 59 -4.816 3.980 -3.982 1.00 51.45 H new ATOM 0 HB VAL A 59 -5.490 2.362 -1.510 1.00 71.01 H new ATOM 0 HG11 VAL A 59 -6.190 0.647 -3.162 1.00 2.34 H new ATOM 0 HG12 VAL A 59 -7.110 2.161 -3.335 1.00 2.34 H new ATOM 0 HG13 VAL A 59 -5.804 1.777 -4.481 1.00 2.34 H new ATOM 0 HG21 VAL A 59 -3.869 0.656 -2.297 1.00 1.51 H new ATOM 0 HG22 VAL A 59 -3.317 1.779 -3.564 1.00 1.51 H new ATOM 0 HG23 VAL A 59 -3.073 2.183 -1.848 1.00 1.51 H new ATOM 995 N GLU A 60 -6.834 5.425 -3.540 1.00 61.24 N ATOM 996 CA GLU A 60 -8.017 6.275 -3.362 1.00 31.15 C ATOM 997 C GLU A 60 -9.249 5.577 -3.946 1.00 75.41 C ATOM 998 O GLU A 60 -9.152 4.840 -4.928 1.00 44.30 O ATOM 999 CB GLU A 60 -7.772 7.638 -4.048 1.00 23.43 C ATOM 1000 CG GLU A 60 -8.930 8.658 -3.949 1.00 61.44 C ATOM 1001 CD GLU A 60 -8.601 10.002 -4.623 1.00 64.24 C ATOM 1002 OE1 GLU A 60 -8.401 11.019 -3.917 1.00 62.11 O ATOM 1003 OE2 GLU A 60 -8.526 10.047 -5.869 1.00 24.43 O ATOM 0 H GLU A 60 -6.455 5.451 -4.487 1.00 61.24 H new ATOM 0 HA GLU A 60 -8.197 6.447 -2.301 1.00 31.15 H new ATOM 0 HB2 GLU A 60 -6.879 8.087 -3.613 1.00 23.43 H new ATOM 0 HB3 GLU A 60 -7.559 7.460 -5.102 1.00 23.43 H new ATOM 0 HG2 GLU A 60 -9.822 8.234 -4.411 1.00 61.44 H new ATOM 0 HG3 GLU A 60 -9.166 8.832 -2.899 1.00 61.44 H new ATOM 1010 N ARG A 61 -10.399 5.807 -3.310 1.00 73.11 N ATOM 1011 CA ARG A 61 -11.680 5.230 -3.717 1.00 54.25 C ATOM 1012 C ARG A 61 -12.285 6.026 -4.885 1.00 3.51 C ATOM 1013 O ARG A 61 -12.676 7.189 -4.720 1.00 23.20 O ATOM 1014 CB ARG A 61 -12.628 5.237 -2.501 1.00 3.14 C ATOM 1015 CG ARG A 61 -14.003 4.603 -2.731 1.00 63.43 C ATOM 1016 CD ARG A 61 -13.942 3.121 -3.127 1.00 11.35 C ATOM 1017 NE ARG A 61 -15.262 2.504 -2.994 1.00 23.24 N ATOM 1018 CZ ARG A 61 -15.497 1.290 -2.491 1.00 61.44 C ATOM 1019 NH1 ARG A 61 -14.506 0.508 -2.082 1.00 3.10 N ATOM 1020 NH2 ARG A 61 -16.740 0.879 -2.369 1.00 20.12 N ATOM 0 H ARG A 61 -10.467 6.407 -2.488 1.00 73.11 H new ATOM 0 HA ARG A 61 -11.532 4.206 -4.060 1.00 54.25 H new ATOM 0 HB2 ARG A 61 -12.139 4.714 -1.679 1.00 3.14 H new ATOM 0 HB3 ARG A 61 -12.772 6.269 -2.181 1.00 3.14 H new ATOM 0 HG2 ARG A 61 -14.596 4.703 -1.822 1.00 63.43 H new ATOM 0 HG3 ARG A 61 -14.523 5.157 -3.512 1.00 63.43 H new ATOM 0 HD2 ARG A 61 -13.591 3.027 -4.155 1.00 11.35 H new ATOM 0 HD3 ARG A 61 -13.224 2.598 -2.495 1.00 11.35 H new ATOM 0 HE ARG A 61 -16.067 3.045 -3.311 1.00 23.24 H new ATOM 0 HH11 ARG A 61 -13.541 0.831 -2.149 1.00 3.10 H new ATOM 0 HH12 ARG A 61 -14.710 -0.416 -1.701 1.00 3.10 H new ATOM 0 HH21 ARG A 61 -17.508 1.485 -2.657 1.00 20.12 H new ATOM 0 HH22 ARG A 61 -16.936 -0.046 -1.986 1.00 20.12 H new ATOM 1034 N GLN A 62 -12.328 5.397 -6.064 1.00 51.02 N ATOM 1035 CA GLN A 62 -12.964 5.951 -7.265 1.00 0.11 C ATOM 1036 C GLN A 62 -14.286 5.200 -7.505 1.00 32.53 C ATOM 1037 O GLN A 62 -14.295 4.114 -8.099 1.00 55.23 O ATOM 1038 CB GLN A 62 -12.006 5.830 -8.486 1.00 41.15 C ATOM 1039 CG GLN A 62 -12.465 6.529 -9.786 1.00 35.40 C ATOM 1040 CD GLN A 62 -12.572 8.067 -9.706 1.00 3.03 C ATOM 1041 OE1 GLN A 62 -12.892 8.649 -8.669 1.00 43.24 O ATOM 1042 NE2 GLN A 62 -12.267 8.739 -10.808 1.00 13.42 N ATOM 0 H GLN A 62 -11.916 4.476 -6.214 1.00 51.02 H new ATOM 0 HA GLN A 62 -13.177 7.011 -7.128 1.00 0.11 H new ATOM 0 HB2 GLN A 62 -11.036 6.238 -8.202 1.00 41.15 H new ATOM 0 HB3 GLN A 62 -11.856 4.772 -8.700 1.00 41.15 H new ATOM 0 HG2 GLN A 62 -11.768 6.271 -10.583 1.00 35.40 H new ATOM 0 HG3 GLN A 62 -13.438 6.128 -10.071 1.00 35.40 H new ATOM 0 HE21 GLN A 62 -12.005 8.236 -11.656 1.00 13.42 H new ATOM 0 HE22 GLN A 62 -12.295 9.759 -10.808 1.00 13.42 H new ATOM 1051 N GLY A 63 -15.381 5.769 -6.972 1.00 43.12 N ATOM 1052 CA GLY A 63 -16.705 5.159 -7.064 1.00 32.13 C ATOM 1053 C GLY A 63 -16.810 3.892 -6.226 1.00 12.40 C ATOM 1054 O GLY A 63 -16.960 3.953 -4.997 1.00 44.45 O ATOM 0 H GLY A 63 -15.367 6.657 -6.471 1.00 43.12 H new ATOM 0 HA2 GLY A 63 -17.458 5.875 -6.734 1.00 32.13 H new ATOM 0 HA3 GLY A 63 -16.924 4.924 -8.106 1.00 32.13 H new ATOM 1058 N ASN A 64 -16.701 2.742 -6.904 1.00 53.45 N ATOM 1059 CA ASN A 64 -16.773 1.402 -6.285 1.00 11.45 C ATOM 1060 C ASN A 64 -15.375 0.757 -6.210 1.00 12.02 C ATOM 1061 O ASN A 64 -15.118 -0.095 -5.352 1.00 62.34 O ATOM 1062 CB ASN A 64 -17.733 0.492 -7.102 1.00 73.41 C ATOM 1063 CG ASN A 64 -19.162 1.038 -7.228 1.00 65.42 C ATOM 1064 OD1 ASN A 64 -19.666 1.739 -6.348 1.00 53.21 O ATOM 1065 ND2 ASN A 64 -19.825 0.717 -8.331 1.00 2.25 N ATOM 0 H ASN A 64 -16.558 2.711 -7.913 1.00 53.45 H new ATOM 0 HA ASN A 64 -17.156 1.512 -5.270 1.00 11.45 H new ATOM 0 HB2 ASN A 64 -17.320 0.352 -8.101 1.00 73.41 H new ATOM 0 HB3 ASN A 64 -17.772 -0.491 -6.632 1.00 73.41 H new ATOM 0 HD21 ASN A 64 -20.779 1.052 -8.469 1.00 2.25 H new ATOM 0 HD22 ASN A 64 -19.381 0.135 -9.042 1.00 2.25 H new ATOM 1072 N THR A 65 -14.481 1.169 -7.123 1.00 71.34 N ATOM 1073 CA THR A 65 -13.140 0.572 -7.280 1.00 73.13 C ATOM 1074 C THR A 65 -12.075 1.339 -6.466 1.00 12.21 C ATOM 1075 O THR A 65 -12.283 2.494 -6.085 1.00 70.23 O ATOM 1076 CB THR A 65 -12.733 0.545 -8.791 1.00 12.43 C ATOM 1077 OG1 THR A 65 -12.850 1.863 -9.366 1.00 72.14 O ATOM 1078 CG2 THR A 65 -13.603 -0.441 -9.595 1.00 4.21 C ATOM 0 H THR A 65 -14.667 1.929 -7.777 1.00 71.34 H new ATOM 0 HA THR A 65 -13.188 -0.447 -6.897 1.00 73.13 H new ATOM 0 HB THR A 65 -11.696 0.212 -8.843 1.00 12.43 H new ATOM 0 HG1 THR A 65 -12.591 1.832 -10.311 1.00 72.14 H new ATOM 0 HG21 THR A 65 -13.292 -0.433 -10.640 1.00 4.21 H new ATOM 0 HG22 THR A 65 -13.484 -1.446 -9.189 1.00 4.21 H new ATOM 0 HG23 THR A 65 -14.649 -0.143 -9.526 1.00 4.21 H new ATOM 1086 N TRP A 66 -10.938 0.666 -6.214 1.00 2.42 N ATOM 1087 CA TRP A 66 -9.766 1.231 -5.518 1.00 51.14 C ATOM 1088 C TRP A 66 -8.616 1.456 -6.526 1.00 44.43 C ATOM 1089 O TRP A 66 -8.024 0.494 -7.031 1.00 12.13 O ATOM 1090 CB TRP A 66 -9.317 0.275 -4.374 1.00 53.11 C ATOM 1091 CG TRP A 66 -10.252 0.261 -3.179 1.00 72.13 C ATOM 1092 CD1 TRP A 66 -11.156 -0.705 -2.836 1.00 22.11 C ATOM 1093 CD2 TRP A 66 -10.368 1.288 -2.186 1.00 33.31 C ATOM 1094 NE1 TRP A 66 -11.816 -0.341 -1.684 1.00 11.22 N ATOM 1095 CE2 TRP A 66 -11.353 0.878 -1.270 1.00 10.03 C ATOM 1096 CE3 TRP A 66 -9.728 2.518 -1.982 1.00 64.43 C ATOM 1097 CZ2 TRP A 66 -11.709 1.648 -0.170 1.00 71.51 C ATOM 1098 CZ3 TRP A 66 -10.084 3.279 -0.890 1.00 20.41 C ATOM 1099 CH2 TRP A 66 -11.072 2.845 0.000 1.00 74.41 C ATOM 0 H TRP A 66 -10.805 -0.306 -6.494 1.00 2.42 H new ATOM 0 HA TRP A 66 -10.035 2.192 -5.079 1.00 51.14 H new ATOM 0 HB2 TRP A 66 -9.236 -0.737 -4.771 1.00 53.11 H new ATOM 0 HB3 TRP A 66 -8.321 0.567 -4.040 1.00 53.11 H new ATOM 0 HD1 TRP A 66 -11.327 -1.618 -3.387 1.00 22.11 H new ATOM 0 HE1 TRP A 66 -12.535 -0.892 -1.214 1.00 11.22 H new ATOM 0 HE3 TRP A 66 -8.969 2.863 -2.669 1.00 64.43 H new ATOM 0 HZ2 TRP A 66 -12.463 1.312 0.527 1.00 71.51 H new ATOM 0 HZ3 TRP A 66 -9.593 4.225 -0.719 1.00 20.41 H new ATOM 0 HH2 TRP A 66 -11.337 3.470 0.840 1.00 74.41 H new ATOM 1110 N THR A 67 -8.322 2.735 -6.817 1.00 13.12 N ATOM 1111 CA THR A 67 -7.281 3.135 -7.779 1.00 13.45 C ATOM 1112 C THR A 67 -6.015 3.634 -7.040 1.00 71.14 C ATOM 1113 O THR A 67 -6.097 4.489 -6.154 1.00 52.44 O ATOM 1114 CB THR A 67 -7.830 4.237 -8.752 1.00 62.23 C ATOM 1115 OG1 THR A 67 -6.820 4.591 -9.714 1.00 5.33 O ATOM 1116 CG2 THR A 67 -8.324 5.507 -8.014 1.00 43.13 C ATOM 0 H THR A 67 -8.803 3.525 -6.388 1.00 13.12 H new ATOM 0 HA THR A 67 -7.004 2.262 -8.371 1.00 13.45 H new ATOM 0 HB THR A 67 -8.695 3.808 -9.257 1.00 62.23 H new ATOM 0 HG1 THR A 67 -7.171 5.278 -10.319 1.00 5.33 H new ATOM 0 HG21 THR A 67 -8.691 6.231 -8.741 1.00 43.13 H new ATOM 0 HG22 THR A 67 -9.129 5.240 -7.330 1.00 43.13 H new ATOM 0 HG23 THR A 67 -7.500 5.945 -7.451 1.00 43.13 H new ATOM 1124 N VAL A 68 -4.845 3.067 -7.390 1.00 64.01 N ATOM 1125 CA VAL A 68 -3.553 3.493 -6.826 1.00 52.50 C ATOM 1126 C VAL A 68 -3.101 4.804 -7.500 1.00 5.24 C ATOM 1127 O VAL A 68 -2.787 4.824 -8.699 1.00 41.43 O ATOM 1128 CB VAL A 68 -2.448 2.376 -6.990 1.00 1.43 C ATOM 1129 CG1 VAL A 68 -1.090 2.832 -6.396 1.00 61.25 C ATOM 1130 CG2 VAL A 68 -2.920 1.037 -6.366 1.00 60.24 C ATOM 0 H VAL A 68 -4.770 2.307 -8.066 1.00 64.01 H new ATOM 0 HA VAL A 68 -3.686 3.662 -5.757 1.00 52.50 H new ATOM 0 HB VAL A 68 -2.294 2.211 -8.056 1.00 1.43 H new ATOM 0 HG11 VAL A 68 -0.352 2.040 -6.525 1.00 61.25 H new ATOM 0 HG12 VAL A 68 -0.751 3.731 -6.911 1.00 61.25 H new ATOM 0 HG13 VAL A 68 -1.211 3.045 -5.334 1.00 61.25 H new ATOM 0 HG21 VAL A 68 -2.143 0.283 -6.491 1.00 60.24 H new ATOM 0 HG22 VAL A 68 -3.119 1.181 -5.304 1.00 60.24 H new ATOM 0 HG23 VAL A 68 -3.831 0.705 -6.864 1.00 60.24 H new ATOM 1140 N LYS A 69 -3.129 5.903 -6.727 1.00 74.11 N ATOM 1141 CA LYS A 69 -2.696 7.229 -7.191 1.00 14.41 C ATOM 1142 C LYS A 69 -1.172 7.255 -7.405 1.00 30.14 C ATOM 1143 O LYS A 69 -0.696 7.673 -8.471 1.00 52.23 O ATOM 1144 CB LYS A 69 -3.130 8.334 -6.187 1.00 72.44 C ATOM 1145 CG LYS A 69 -4.628 8.307 -5.792 1.00 64.54 C ATOM 1146 CD LYS A 69 -5.604 8.382 -6.997 1.00 44.23 C ATOM 1147 CE LYS A 69 -5.519 9.704 -7.784 1.00 55.10 C ATOM 1148 NZ LYS A 69 -5.897 10.882 -6.960 1.00 33.12 N ATOM 0 H LYS A 69 -3.454 5.895 -5.760 1.00 74.11 H new ATOM 0 HA LYS A 69 -3.180 7.432 -8.146 1.00 14.41 H new ATOM 0 HB2 LYS A 69 -2.529 8.238 -5.282 1.00 72.44 H new ATOM 0 HB3 LYS A 69 -2.901 9.308 -6.620 1.00 72.44 H new ATOM 0 HG2 LYS A 69 -4.828 7.393 -5.232 1.00 64.54 H new ATOM 0 HG3 LYS A 69 -4.831 9.142 -5.122 1.00 64.54 H new ATOM 0 HD2 LYS A 69 -5.396 7.553 -7.674 1.00 44.23 H new ATOM 0 HD3 LYS A 69 -6.624 8.250 -6.636 1.00 44.23 H new ATOM 0 HE2 LYS A 69 -4.503 9.836 -8.157 1.00 55.10 H new ATOM 0 HE3 LYS A 69 -6.173 9.648 -8.654 1.00 55.10 H new ATOM 0 HZ1 LYS A 69 -5.955 11.725 -7.566 1.00 33.12 H new ATOM 0 HZ2 LYS A 69 -6.821 10.712 -6.514 1.00 33.12 H new ATOM 0 HZ3 LYS A 69 -5.180 11.034 -6.223 1.00 33.12 H new ATOM 1162 N ARG A 70 -0.419 6.781 -6.393 1.00 42.54 N ATOM 1163 CA ARG A 70 1.045 6.690 -6.468 1.00 51.23 C ATOM 1164 C ARG A 70 1.614 5.825 -5.333 1.00 73.20 C ATOM 1165 O ARG A 70 1.106 5.837 -4.213 1.00 24.13 O ATOM 1166 CB ARG A 70 1.703 8.103 -6.419 1.00 51.51 C ATOM 1167 CG ARG A 70 3.243 8.089 -6.543 1.00 12.02 C ATOM 1168 CD ARG A 70 3.877 9.486 -6.527 1.00 70.34 C ATOM 1169 NE ARG A 70 5.346 9.406 -6.454 1.00 23.53 N ATOM 1170 CZ ARG A 70 6.184 10.449 -6.502 1.00 20.33 C ATOM 1171 NH1 ARG A 70 5.732 11.698 -6.639 1.00 31.51 N ATOM 1172 NH2 ARG A 70 7.486 10.234 -6.401 1.00 1.34 N ATOM 0 H ARG A 70 -0.809 6.454 -5.509 1.00 42.54 H new ATOM 0 HA ARG A 70 1.283 6.220 -7.422 1.00 51.23 H new ATOM 0 HB2 ARG A 70 1.290 8.712 -7.224 1.00 51.51 H new ATOM 0 HB3 ARG A 70 1.430 8.587 -5.481 1.00 51.51 H new ATOM 0 HG2 ARG A 70 3.659 7.502 -5.724 1.00 12.02 H new ATOM 0 HG3 ARG A 70 3.519 7.585 -7.469 1.00 12.02 H new ATOM 0 HD2 ARG A 70 3.584 10.031 -7.425 1.00 70.34 H new ATOM 0 HD3 ARG A 70 3.498 10.050 -5.674 1.00 70.34 H new ATOM 0 HE ARG A 70 5.759 8.478 -6.359 1.00 23.53 H new ATOM 0 HH11 ARG A 70 4.730 11.873 -6.709 1.00 31.51 H new ATOM 0 HH12 ARG A 70 6.389 12.477 -6.673 1.00 31.51 H new ATOM 0 HH21 ARG A 70 7.839 9.284 -6.288 1.00 1.34 H new ATOM 0 HH22 ARG A 70 8.137 11.019 -6.436 1.00 1.34 H new ATOM 1186 N ILE A 71 2.663 5.066 -5.673 1.00 21.34 N ATOM 1187 CA ILE A 71 3.542 4.385 -4.716 1.00 70.41 C ATOM 1188 C ILE A 71 4.792 5.264 -4.519 1.00 61.52 C ATOM 1189 O ILE A 71 5.622 5.374 -5.426 1.00 31.15 O ATOM 1190 CB ILE A 71 3.999 2.986 -5.264 1.00 13.15 C ATOM 1191 CG1 ILE A 71 2.774 2.123 -5.679 1.00 73.13 C ATOM 1192 CG2 ILE A 71 4.886 2.247 -4.230 1.00 52.12 C ATOM 1193 CD1 ILE A 71 3.144 0.869 -6.434 1.00 63.32 C ATOM 0 H ILE A 71 2.930 4.905 -6.644 1.00 21.34 H new ATOM 0 HA ILE A 71 3.003 4.231 -3.781 1.00 70.41 H new ATOM 0 HB ILE A 71 4.602 3.154 -6.156 1.00 13.15 H new ATOM 0 HG12 ILE A 71 2.215 1.847 -4.785 1.00 73.13 H new ATOM 0 HG13 ILE A 71 2.109 2.726 -6.297 1.00 73.13 H new ATOM 0 HG21 ILE A 71 5.189 1.281 -4.635 1.00 52.12 H new ATOM 0 HG22 ILE A 71 5.772 2.845 -4.017 1.00 52.12 H new ATOM 0 HG23 ILE A 71 4.322 2.094 -3.310 1.00 52.12 H new ATOM 0 HD11 ILE A 71 2.239 0.318 -6.690 1.00 63.32 H new ATOM 0 HD12 ILE A 71 3.676 1.137 -7.347 1.00 63.32 H new ATOM 0 HD13 ILE A 71 3.785 0.245 -5.811 1.00 63.32 H new ATOM 1205 N THR A 72 4.898 5.917 -3.364 1.00 43.50 N ATOM 1206 CA THR A 72 6.041 6.769 -3.023 1.00 23.24 C ATOM 1207 C THR A 72 6.972 6.016 -2.055 1.00 51.01 C ATOM 1208 O THR A 72 6.542 5.613 -0.972 1.00 42.12 O ATOM 1209 CB THR A 72 5.529 8.101 -2.382 1.00 44.51 C ATOM 1210 OG1 THR A 72 4.571 8.720 -3.261 1.00 24.32 O ATOM 1211 CG2 THR A 72 6.676 9.095 -2.102 1.00 75.41 C ATOM 0 H THR A 72 4.190 5.871 -2.631 1.00 43.50 H new ATOM 0 HA THR A 72 6.603 7.014 -3.924 1.00 23.24 H new ATOM 0 HB THR A 72 5.068 7.848 -1.427 1.00 44.51 H new ATOM 0 HG1 THR A 72 4.249 9.554 -2.859 1.00 24.32 H new ATOM 0 HG21 THR A 72 6.270 10.004 -1.657 1.00 75.41 H new ATOM 0 HG22 THR A 72 7.390 8.642 -1.414 1.00 75.41 H new ATOM 0 HG23 THR A 72 7.179 9.342 -3.037 1.00 75.41 H new ATOM 1219 N ARG A 73 8.236 5.799 -2.463 1.00 30.13 N ATOM 1220 CA ARG A 73 9.245 5.150 -1.608 1.00 24.40 C ATOM 1221 C ARG A 73 9.737 6.157 -0.542 1.00 2.00 C ATOM 1222 O ARG A 73 9.780 7.368 -0.811 1.00 3.13 O ATOM 1223 CB ARG A 73 10.419 4.611 -2.477 1.00 30.22 C ATOM 1224 CG ARG A 73 11.477 3.810 -1.683 1.00 42.21 C ATOM 1225 CD ARG A 73 12.412 2.983 -2.580 1.00 43.21 C ATOM 1226 NE ARG A 73 13.256 3.804 -3.456 1.00 30.11 N ATOM 1227 CZ ARG A 73 14.449 3.435 -3.944 1.00 64.32 C ATOM 1228 NH1 ARG A 73 14.984 2.245 -3.653 1.00 15.42 N ATOM 1229 NH2 ARG A 73 15.125 4.288 -4.694 1.00 74.43 N ATOM 0 H ARG A 73 8.583 6.065 -3.384 1.00 30.13 H new ATOM 0 HA ARG A 73 8.802 4.297 -1.094 1.00 24.40 H new ATOM 0 HB2 ARG A 73 10.012 3.975 -3.263 1.00 30.22 H new ATOM 0 HB3 ARG A 73 10.909 5.452 -2.968 1.00 30.22 H new ATOM 0 HG2 ARG A 73 12.074 4.501 -1.087 1.00 42.21 H new ATOM 0 HG3 ARG A 73 10.970 3.143 -0.986 1.00 42.21 H new ATOM 0 HD2 ARG A 73 13.050 2.361 -1.952 1.00 43.21 H new ATOM 0 HD3 ARG A 73 11.813 2.309 -3.192 1.00 43.21 H new ATOM 0 HE ARG A 73 12.908 4.727 -3.714 1.00 30.11 H new ATOM 0 HH11 ARG A 73 14.483 1.595 -3.047 1.00 15.42 H new ATOM 0 HH12 ARG A 73 15.893 1.987 -4.037 1.00 15.42 H new ATOM 0 HH21 ARG A 73 14.737 5.210 -4.893 1.00 74.43 H new ATOM 0 HH22 ARG A 73 16.034 4.024 -5.074 1.00 74.43 H new ATOM 1243 N THR A 74 10.096 5.639 0.650 1.00 2.52 N ATOM 1244 CA THR A 74 10.451 6.444 1.837 1.00 24.21 C ATOM 1245 C THR A 74 11.568 7.468 1.547 1.00 22.33 C ATOM 1246 O THR A 74 12.548 7.158 0.843 1.00 42.45 O ATOM 1247 CB THR A 74 10.883 5.520 3.033 1.00 64.01 C ATOM 1248 OG1 THR A 74 11.181 6.301 4.201 1.00 54.23 O ATOM 1249 CG2 THR A 74 12.098 4.623 2.673 1.00 71.14 C ATOM 0 H THR A 74 10.148 4.634 0.818 1.00 2.52 H new ATOM 0 HA THR A 74 9.553 6.999 2.110 1.00 24.21 H new ATOM 0 HB THR A 74 10.038 4.865 3.245 1.00 64.01 H new ATOM 0 HG1 THR A 74 11.446 5.706 4.933 1.00 54.23 H new ATOM 0 HG21 THR A 74 12.359 4.003 3.531 1.00 71.14 H new ATOM 0 HG22 THR A 74 11.841 3.984 1.828 1.00 71.14 H new ATOM 0 HG23 THR A 74 12.948 5.251 2.407 1.00 71.14 H new ATOM 1257 N VAL A 75 11.379 8.695 2.075 1.00 33.53 N ATOM 1258 CA VAL A 75 12.362 9.784 1.969 1.00 63.13 C ATOM 1259 C VAL A 75 13.590 9.434 2.828 1.00 33.33 C ATOM 1260 O VAL A 75 13.550 9.502 4.066 1.00 22.54 O ATOM 1261 CB VAL A 75 11.745 11.168 2.394 1.00 51.31 C ATOM 1262 CG1 VAL A 75 12.759 12.325 2.196 1.00 13.12 C ATOM 1263 CG2 VAL A 75 10.424 11.433 1.625 1.00 43.04 C ATOM 0 H VAL A 75 10.537 8.955 2.588 1.00 33.53 H new ATOM 0 HA VAL A 75 12.666 9.886 0.927 1.00 63.13 H new ATOM 0 HB VAL A 75 11.514 11.124 3.458 1.00 51.31 H new ATOM 0 HG11 VAL A 75 12.301 13.266 2.499 1.00 13.12 H new ATOM 0 HG12 VAL A 75 13.645 12.140 2.804 1.00 13.12 H new ATOM 0 HG13 VAL A 75 13.045 12.382 1.146 1.00 13.12 H new ATOM 0 HG21 VAL A 75 10.011 12.394 1.931 1.00 43.04 H new ATOM 0 HG22 VAL A 75 10.624 11.449 0.554 1.00 43.04 H new ATOM 0 HG23 VAL A 75 9.708 10.643 1.849 1.00 43.04 H new ATOM 1273 N GLY A 76 14.652 9.015 2.144 1.00 13.15 N ATOM 1274 CA GLY A 76 15.861 8.493 2.768 1.00 4.35 C ATOM 1275 C GLY A 76 16.683 7.751 1.734 1.00 75.22 C ATOM 1276 O GLY A 76 17.920 7.821 1.726 1.00 63.42 O ATOM 0 H GLY A 76 14.695 9.030 1.125 1.00 13.15 H new ATOM 0 HA2 GLY A 76 16.444 9.309 3.195 1.00 4.35 H new ATOM 0 HA3 GLY A 76 15.600 7.825 3.589 1.00 4.35 H new ATOM 1280 N SER A 77 15.966 7.037 0.843 1.00 15.12 N ATOM 1281 CA SER A 77 16.550 6.382 -0.335 1.00 31.15 C ATOM 1282 C SER A 77 16.580 7.369 -1.526 1.00 52.52 C ATOM 1283 O SER A 77 16.112 8.506 -1.405 1.00 63.41 O ATOM 1284 CB SER A 77 15.729 5.122 -0.687 1.00 30.34 C ATOM 1285 OG SER A 77 16.372 4.359 -1.698 1.00 10.23 O ATOM 0 H SER A 77 14.959 6.900 0.925 1.00 15.12 H new ATOM 0 HA SER A 77 17.574 6.080 -0.115 1.00 31.15 H new ATOM 0 HB2 SER A 77 15.595 4.510 0.205 1.00 30.34 H new ATOM 0 HB3 SER A 77 14.735 5.415 -1.025 1.00 30.34 H new ATOM 0 HG SER A 77 16.184 3.407 -1.559 1.00 10.23 H new ATOM 1291 N LEU A 78 17.128 6.927 -2.673 1.00 1.23 N ATOM 1292 CA LEU A 78 17.276 7.774 -3.871 1.00 5.51 C ATOM 1293 C LEU A 78 16.856 6.946 -5.098 1.00 21.32 C ATOM 1294 O LEU A 78 17.479 5.919 -5.402 1.00 70.35 O ATOM 1295 CB LEU A 78 18.760 8.262 -4.006 1.00 15.14 C ATOM 1296 CG LEU A 78 19.031 9.608 -4.776 1.00 2.22 C ATOM 1297 CD1 LEU A 78 20.543 9.937 -4.770 1.00 45.51 C ATOM 1298 CD2 LEU A 78 18.477 9.605 -6.219 1.00 51.22 C ATOM 0 H LEU A 78 17.479 5.977 -2.795 1.00 1.23 H new ATOM 0 HA LEU A 78 16.644 8.658 -3.793 1.00 5.51 H new ATOM 0 HB2 LEU A 78 19.170 8.364 -3.001 1.00 15.14 H new ATOM 0 HB3 LEU A 78 19.326 7.474 -4.503 1.00 15.14 H new ATOM 0 HG LEU A 78 18.490 10.389 -4.242 1.00 2.22 H new ATOM 0 HD11 LEU A 78 20.714 10.870 -5.306 1.00 45.51 H new ATOM 0 HD12 LEU A 78 20.889 10.041 -3.741 1.00 45.51 H new ATOM 0 HD13 LEU A 78 21.092 9.132 -5.258 1.00 45.51 H new ATOM 0 HD21 LEU A 78 18.696 10.561 -6.695 1.00 51.22 H new ATOM 0 HD22 LEU A 78 18.945 8.801 -6.787 1.00 51.22 H new ATOM 0 HD23 LEU A 78 17.398 9.451 -6.194 1.00 51.22 H new ATOM 1310 N GLU A 79 15.803 7.400 -5.785 1.00 11.10 N ATOM 1311 CA GLU A 79 15.379 6.828 -7.070 1.00 13.42 C ATOM 1312 C GLU A 79 16.290 7.405 -8.172 1.00 30.14 C ATOM 1313 O GLU A 79 16.082 8.535 -8.622 1.00 33.13 O ATOM 1314 CB GLU A 79 13.880 7.149 -7.356 1.00 3.51 C ATOM 1315 CG GLU A 79 12.863 6.559 -6.344 1.00 30.13 C ATOM 1316 CD GLU A 79 12.858 7.261 -4.972 1.00 3.25 C ATOM 1317 OE1 GLU A 79 13.435 6.723 -4.000 1.00 1.35 O ATOM 1318 OE2 GLU A 79 12.296 8.367 -4.869 1.00 13.03 O ATOM 0 H GLU A 79 15.220 8.174 -5.467 1.00 11.10 H new ATOM 0 HA GLU A 79 15.471 5.742 -7.044 1.00 13.42 H new ATOM 0 HB2 GLU A 79 13.757 8.232 -7.378 1.00 3.51 H new ATOM 0 HB3 GLU A 79 13.631 6.780 -8.351 1.00 3.51 H new ATOM 0 HG2 GLU A 79 11.863 6.619 -6.774 1.00 30.13 H new ATOM 0 HG3 GLU A 79 13.084 5.502 -6.198 1.00 30.13 H new ATOM 1325 N HIS A 80 17.330 6.636 -8.562 1.00 32.11 N ATOM 1326 CA HIS A 80 18.404 7.131 -9.457 1.00 2.22 C ATOM 1327 C HIS A 80 17.865 7.473 -10.864 1.00 35.54 C ATOM 1328 O HIS A 80 16.853 6.912 -11.310 1.00 44.20 O ATOM 1329 CB HIS A 80 19.587 6.119 -9.542 1.00 74.01 C ATOM 1330 CG HIS A 80 19.302 4.820 -10.267 1.00 13.31 C ATOM 1331 ND1 HIS A 80 19.436 4.673 -11.634 1.00 70.41 N ATOM 1332 CD2 HIS A 80 18.923 3.603 -9.802 1.00 5.33 C ATOM 1333 CE1 HIS A 80 19.158 3.430 -11.973 1.00 63.21 C ATOM 1334 NE2 HIS A 80 18.842 2.763 -10.883 1.00 63.54 N ATOM 0 H HIS A 80 17.450 5.666 -8.271 1.00 32.11 H new ATOM 0 HA HIS A 80 18.785 8.054 -9.019 1.00 2.22 H new ATOM 0 HB2 HIS A 80 20.425 6.611 -10.036 1.00 74.01 H new ATOM 0 HB3 HIS A 80 19.910 5.882 -8.528 1.00 74.01 H new ATOM 0 HD1 HIS A 80 19.708 5.413 -12.281 1.00 70.41 H new ATOM 0 HD2 HIS A 80 18.723 3.344 -8.773 1.00 5.33 H new ATOM 0 HE1 HIS A 80 19.185 3.027 -12.975 1.00 63.21 H new ATOM 1343 N HIS A 81 18.567 8.393 -11.549 1.00 54.12 N ATOM 1344 CA HIS A 81 18.167 8.902 -12.874 1.00 72.43 C ATOM 1345 C HIS A 81 18.324 7.827 -13.957 1.00 25.43 C ATOM 1346 O HIS A 81 19.138 6.910 -13.829 1.00 32.15 O ATOM 1347 CB HIS A 81 18.963 10.183 -13.248 1.00 43.34 C ATOM 1348 CG HIS A 81 18.594 11.377 -12.408 1.00 11.53 C ATOM 1349 ND1 HIS A 81 17.722 12.353 -12.839 1.00 14.52 N ATOM 1350 CD2 HIS A 81 18.968 11.743 -11.160 1.00 22.32 C ATOM 1351 CE1 HIS A 81 17.579 13.263 -11.901 1.00 3.43 C ATOM 1352 NE2 HIS A 81 18.320 12.916 -10.871 1.00 44.33 N ATOM 0 H HIS A 81 19.431 8.806 -11.198 1.00 54.12 H new ATOM 0 HA HIS A 81 17.111 9.166 -12.817 1.00 72.43 H new ATOM 0 HB2 HIS A 81 20.029 9.985 -13.138 1.00 43.34 H new ATOM 0 HB3 HIS A 81 18.789 10.418 -14.298 1.00 43.34 H new ATOM 0 HD2 HIS A 81 19.649 11.211 -10.513 1.00 22.32 H new ATOM 0 HE1 HIS A 81 16.959 14.145 -11.965 1.00 3.43 H new ATOM 0 HE2 HIS A 81 18.400 13.436 -9.997 1.00 44.33 H new ATOM 1361 N HIS A 82 17.520 7.965 -15.011 1.00 42.52 N ATOM 1362 CA HIS A 82 17.440 6.998 -16.117 1.00 43.31 C ATOM 1363 C HIS A 82 18.337 7.477 -17.265 1.00 30.13 C ATOM 1364 O HIS A 82 18.136 8.587 -17.778 1.00 15.10 O ATOM 1365 CB HIS A 82 15.971 6.875 -16.597 1.00 43.34 C ATOM 1366 CG HIS A 82 15.005 6.394 -15.535 1.00 31.22 C ATOM 1367 ND1 HIS A 82 14.379 5.165 -15.587 1.00 45.40 N ATOM 1368 CD2 HIS A 82 14.543 6.996 -14.403 1.00 35.41 C ATOM 1369 CE1 HIS A 82 13.576 5.037 -14.552 1.00 60.43 C ATOM 1370 NE2 HIS A 82 13.660 6.128 -13.819 1.00 3.23 N ATOM 0 H HIS A 82 16.894 8.762 -15.127 1.00 42.52 H new ATOM 0 HA HIS A 82 17.779 6.019 -15.780 1.00 43.31 H new ATOM 0 HB2 HIS A 82 15.638 7.847 -16.961 1.00 43.34 H new ATOM 0 HB3 HIS A 82 15.934 6.188 -17.443 1.00 43.34 H new ATOM 0 HD2 HIS A 82 14.821 7.973 -14.036 1.00 35.41 H new ATOM 0 HE1 HIS A 82 12.953 4.181 -14.339 1.00 60.43 H new ATOM 0 HE2 HIS A 82 13.148 6.299 -12.953 1.00 3.23 H new ATOM 1379 N HIS A 83 19.349 6.670 -17.631 1.00 33.44 N ATOM 1380 CA HIS A 83 20.205 6.953 -18.792 1.00 70.02 C ATOM 1381 C HIS A 83 19.376 6.753 -20.073 1.00 24.03 C ATOM 1382 O HIS A 83 19.039 5.613 -20.416 1.00 0.11 O ATOM 1383 CB HIS A 83 21.470 6.047 -18.798 1.00 73.23 C ATOM 1384 CG HIS A 83 22.424 6.339 -19.935 1.00 5.12 C ATOM 1385 ND1 HIS A 83 23.505 7.180 -19.812 1.00 62.24 N ATOM 1386 CD2 HIS A 83 22.433 5.910 -21.226 1.00 30.23 C ATOM 1387 CE1 HIS A 83 24.134 7.260 -20.970 1.00 14.41 C ATOM 1388 NE2 HIS A 83 23.505 6.501 -21.839 1.00 54.21 N ATOM 0 H HIS A 83 19.593 5.813 -17.135 1.00 33.44 H new ATOM 0 HA HIS A 83 20.556 7.984 -18.739 1.00 70.02 H new ATOM 0 HB2 HIS A 83 21.998 6.170 -17.852 1.00 73.23 H new ATOM 0 HB3 HIS A 83 21.158 5.004 -18.856 1.00 73.23 H new ATOM 0 HD2 HIS A 83 21.727 5.231 -21.682 1.00 30.23 H new ATOM 0 HE1 HIS A 83 25.017 7.850 -21.169 1.00 14.41 H new ATOM 0 HE2 HIS A 83 23.773 6.373 -22.815 1.00 54.21 H new ATOM 1397 N HIS A 84 19.025 7.859 -20.754 1.00 60.12 N ATOM 1398 CA HIS A 84 18.161 7.818 -21.946 1.00 31.42 C ATOM 1399 C HIS A 84 18.892 7.115 -23.111 1.00 35.12 C ATOM 1400 O HIS A 84 20.036 7.467 -23.447 1.00 44.53 O ATOM 1401 CB HIS A 84 17.670 9.241 -22.358 1.00 32.32 C ATOM 1402 CG HIS A 84 18.680 10.103 -23.071 1.00 62.11 C ATOM 1403 ND1 HIS A 84 18.761 10.163 -24.447 1.00 21.22 N ATOM 1404 CD2 HIS A 84 19.635 10.943 -22.607 1.00 13.00 C ATOM 1405 CE1 HIS A 84 19.714 10.998 -24.793 1.00 3.42 C ATOM 1406 NE2 HIS A 84 20.262 11.485 -23.697 1.00 40.54 N ATOM 0 H HIS A 84 19.329 8.798 -20.496 1.00 60.12 H new ATOM 0 HA HIS A 84 17.271 7.240 -21.697 1.00 31.42 H new ATOM 0 HB2 HIS A 84 16.796 9.131 -23.000 1.00 32.32 H new ATOM 0 HB3 HIS A 84 17.342 9.765 -21.461 1.00 32.32 H new ATOM 0 HD2 HIS A 84 19.860 11.147 -21.571 1.00 13.00 H new ATOM 0 HE1 HIS A 84 20.001 11.244 -25.805 1.00 3.42 H new ATOM 0 HE2 HIS A 84 21.029 12.157 -23.666 1.00 40.54 H new ATOM 1415 N HIS A 85 18.245 6.085 -23.676 1.00 44.23 N ATOM 1416 CA HIS A 85 18.744 5.384 -24.876 1.00 20.43 C ATOM 1417 C HIS A 85 18.488 6.250 -26.136 1.00 52.33 C ATOM 1418 O HIS A 85 17.366 6.780 -26.293 1.00 12.34 O ATOM 1419 CB HIS A 85 18.115 3.967 -25.022 1.00 55.21 C ATOM 1420 CG HIS A 85 16.609 3.920 -24.988 1.00 71.41 C ATOM 1421 ND1 HIS A 85 15.816 4.329 -26.038 1.00 24.31 N ATOM 1422 CD2 HIS A 85 15.753 3.505 -24.024 1.00 41.14 C ATOM 1423 CE1 HIS A 85 14.550 4.169 -25.720 1.00 4.41 C ATOM 1424 NE2 HIS A 85 14.483 3.667 -24.504 1.00 73.04 N ATOM 1425 OXT HIS A 85 19.411 6.409 -26.955 1.00 37.06 O ATOM 0 H HIS A 85 17.365 5.713 -23.319 1.00 44.23 H new ATOM 0 HA HIS A 85 19.818 5.238 -24.765 1.00 20.43 H new ATOM 0 HB2 HIS A 85 18.454 3.533 -25.963 1.00 55.21 H new ATOM 0 HB3 HIS A 85 18.499 3.334 -24.222 1.00 55.21 H new ATOM 0 HD2 HIS A 85 16.024 3.117 -23.053 1.00 41.14 H new ATOM 0 HE1 HIS A 85 13.706 4.409 -26.350 1.00 4.41 H new ATOM 0 HE2 HIS A 85 13.625 3.437 -24.003 1.00 73.04 H new TER 1434 HIS A 85