USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 82 GLN : amide:sc= -0.0358 K(o=1.2,f=-0.6) USER MOD Set 1.2: A 85 GLN : amide:sc= 1.2 K(o=1.2,f=-0.29) USER MOD Set 2.1: A 77 GLN : amide:sc= -2.36! C(o=-1.6!,f=-5.5!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 162:sc= 0.756 (180deg=0) USER MOD Set 3.1: A 69 THR OG1 : rot 180:sc= -0.0566 USER MOD Set 3.2: A 72 MET CE :methyl 177:sc= -0.159 (180deg=-0.189) USER MOD Set 4.1: A 62 MET CE :methyl -160:sc= -0.0975 (180deg=-0.53) USER MOD Set 4.2: A 66 GLN : amide:sc=-0.00708 X(o=-0.1,f=-0.1) USER MOD Set 5.1: A 36 GLN : amide:sc= 0.6 K(o=1.6,f=0.65) USER MOD Set 5.2: A 43 THR OG1 : rot -43:sc= 0.978 USER MOD Set 6.1: A 6 THR OG1 : rot 180:sc= 0.138 USER MOD Set 6.2: A 9 ASN : amide:sc= 0.0961 K(o=0.23,f=-0.34) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -44:sc= 0.175 USER MOD Single : A 8 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0.00203 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0845) USER MOD Single : A 19 GLN : amide:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.417 X(o=-0.42,f=-0.0039) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.071) USER MOD Single : A 50 GLN : amide:sc= 0.832 K(o=0.83,f=-0.53) USER MOD Single : A 54 ASN : amide:sc= -0.0973 X(o=-0.097,f=-0.077) USER MOD Single : A 56 GLN : amide:sc= 0.5 K(o=0.5,f=-0.3) USER MOD Single : A 61 SER OG : rot 78:sc= 0.027 USER MOD Single : A 64 LYS NZ :NH3+ -152:sc= -0.157 (180deg=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.14 (180deg=-0.407) USER MOD Single : A 68 THR OG1 : rot 66:sc= 0.52 USER MOD Single : A 74 THR OG1 : rot 50:sc= 0.411 USER MOD Single : A 80 TYR OH : rot 118:sc= 0.457 USER MOD Single : A 84 GLN : amide:sc= -0.902 X(o=-0.9,f=-1.1) USER MOD Single : A 87 ASN : amide:sc= 1.42 K(o=1.4,f=-2.8!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= 0.0053 X(o=0.0053,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0707 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 152:sc= 0 (180deg=-0.104) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.774 17.222 10.699 1.00 5.53 N ATOM 2 CA GLY A 1 -6.872 16.367 10.234 1.00 21.14 C ATOM 3 C GLY A 1 -6.332 15.294 9.311 1.00 30.24 C ATOM 4 O GLY A 1 -6.352 15.474 8.091 1.00 3.12 O ATOM 0 H1 GLY A 1 -6.150 17.957 11.332 1.00 5.53 H new ATOM 0 H2 GLY A 1 -5.078 16.645 11.213 1.00 5.53 H new ATOM 0 H3 GLY A 1 -5.314 17.672 9.882 1.00 5.53 H new ATOM 0 HA2 GLY A 1 -7.373 15.908 11.086 1.00 21.14 H new ATOM 0 HA3 GLY A 1 -7.617 16.968 9.712 1.00 21.14 H new ATOM 8 N THR A 2 -5.803 14.198 9.864 1.00 53.11 N ATOM 9 CA THR A 2 -5.267 13.110 9.059 1.00 4.54 C ATOM 10 C THR A 2 -5.384 11.784 9.836 1.00 72.41 C ATOM 11 O THR A 2 -4.437 11.001 9.940 1.00 11.32 O ATOM 12 CB THR A 2 -3.875 13.527 8.521 1.00 21.12 C ATOM 13 OG1 THR A 2 -3.425 12.663 7.499 1.00 44.22 O ATOM 14 CG2 THR A 2 -2.801 13.738 9.589 1.00 63.33 C ATOM 0 H THR A 2 -5.737 14.046 10.870 1.00 53.11 H new ATOM 0 HA THR A 2 -5.845 12.911 8.156 1.00 4.54 H new ATOM 0 HB THR A 2 -4.038 14.516 8.093 1.00 21.12 H new ATOM 0 HG1 THR A 2 -2.545 12.959 7.184 1.00 44.22 H new ATOM 0 HG21 THR A 2 -1.865 14.027 9.111 1.00 63.33 H new ATOM 0 HG22 THR A 2 -3.118 14.525 10.273 1.00 63.33 H new ATOM 0 HG23 THR A 2 -2.654 12.812 10.145 1.00 63.33 H new ATOM 22 N ASP A 3 -6.580 11.514 10.368 1.00 63.43 N ATOM 23 CA ASP A 3 -6.965 10.201 10.902 1.00 62.42 C ATOM 24 C ASP A 3 -8.252 9.751 10.193 1.00 44.53 C ATOM 25 O ASP A 3 -8.479 10.194 9.061 1.00 24.24 O ATOM 26 CB ASP A 3 -7.020 10.204 12.437 1.00 1.53 C ATOM 27 CG ASP A 3 -6.836 8.776 12.952 1.00 23.04 C ATOM 28 OD1 ASP A 3 -5.693 8.273 12.974 1.00 11.42 O ATOM 29 OD2 ASP A 3 -7.844 8.078 13.200 1.00 2.25 O ATOM 0 H ASP A 3 -7.321 12.212 10.442 1.00 63.43 H new ATOM 0 HA ASP A 3 -6.205 9.451 10.685 1.00 62.42 H new ATOM 0 HB2 ASP A 3 -6.240 10.851 12.839 1.00 1.53 H new ATOM 0 HB3 ASP A 3 -7.974 10.605 12.777 1.00 1.53 H new ATOM 33 N PHE A 4 -9.053 8.837 10.746 1.00 63.40 N ATOM 34 CA PHE A 4 -10.259 8.332 10.093 1.00 53.13 C ATOM 35 C PHE A 4 -11.304 7.901 11.132 1.00 74.10 C ATOM 36 O PHE A 4 -11.169 8.209 12.316 1.00 12.42 O ATOM 37 CB PHE A 4 -9.883 7.211 9.101 1.00 2.34 C ATOM 38 CG PHE A 4 -10.585 7.379 7.769 1.00 31.24 C ATOM 39 CD1 PHE A 4 -10.104 8.313 6.831 1.00 10.54 C ATOM 40 CD2 PHE A 4 -11.760 6.661 7.490 1.00 54.52 C ATOM 41 CE1 PHE A 4 -10.784 8.513 5.618 1.00 61.12 C ATOM 42 CE2 PHE A 4 -12.466 6.896 6.299 1.00 61.20 C ATOM 43 CZ PHE A 4 -11.971 7.811 5.358 1.00 72.11 C ATOM 0 H PHE A 4 -8.881 8.426 11.663 1.00 63.40 H new ATOM 0 HA PHE A 4 -10.726 9.129 9.514 1.00 53.13 H new ATOM 0 HB2 PHE A 4 -8.804 7.210 8.946 1.00 2.34 H new ATOM 0 HB3 PHE A 4 -10.144 6.244 9.530 1.00 2.34 H new ATOM 0 HD1 PHE A 4 -9.209 8.878 7.045 1.00 10.54 H new ATOM 0 HD2 PHE A 4 -12.121 5.926 8.194 1.00 54.52 H new ATOM 0 HE1 PHE A 4 -10.394 9.206 4.887 1.00 61.12 H new ATOM 0 HE2 PHE A 4 -13.391 6.372 6.107 1.00 61.20 H new ATOM 0 HZ PHE A 4 -12.504 7.975 4.433 1.00 72.11 H new ATOM 52 N GLY A 5 -12.387 7.241 10.713 1.00 2.53 N ATOM 53 CA GLY A 5 -13.397 6.672 11.594 1.00 61.14 C ATOM 54 C GLY A 5 -14.129 5.535 10.890 1.00 71.04 C ATOM 55 O GLY A 5 -13.905 5.269 9.705 1.00 61.20 O ATOM 0 H GLY A 5 -12.586 7.086 9.725 1.00 2.53 H new ATOM 0 HA2 GLY A 5 -12.928 6.303 12.506 1.00 61.14 H new ATOM 0 HA3 GLY A 5 -14.108 7.443 11.891 1.00 61.14 H new ATOM 59 N THR A 6 -15.021 4.867 11.614 1.00 42.23 N ATOM 60 CA THR A 6 -15.716 3.660 11.177 1.00 24.02 C ATOM 61 C THR A 6 -17.131 3.571 11.799 1.00 11.54 C ATOM 62 O THR A 6 -17.851 2.596 11.589 1.00 51.40 O ATOM 63 CB THR A 6 -14.765 2.466 11.454 1.00 12.23 C ATOM 64 OG1 THR A 6 -15.245 1.235 10.946 1.00 21.03 O ATOM 65 CG2 THR A 6 -14.409 2.296 12.937 1.00 70.11 C ATOM 0 H THR A 6 -15.290 5.161 12.553 1.00 42.23 H new ATOM 0 HA THR A 6 -15.929 3.660 10.108 1.00 24.02 H new ATOM 0 HB THR A 6 -13.857 2.732 10.913 1.00 12.23 H new ATOM 0 HG1 THR A 6 -14.603 0.524 11.151 1.00 21.03 H new ATOM 0 HG21 THR A 6 -13.741 1.443 13.055 1.00 70.11 H new ATOM 0 HG22 THR A 6 -13.913 3.197 13.298 1.00 70.11 H new ATOM 0 HG23 THR A 6 -15.319 2.127 13.513 1.00 70.11 H new ATOM 73 N THR A 7 -17.587 4.609 12.514 1.00 44.30 N ATOM 74 CA THR A 7 -18.864 4.685 13.236 1.00 70.14 C ATOM 75 C THR A 7 -20.102 4.771 12.306 1.00 14.42 C ATOM 76 O THR A 7 -21.161 5.270 12.694 1.00 34.12 O ATOM 77 CB THR A 7 -18.749 5.831 14.269 1.00 33.41 C ATOM 78 OG1 THR A 7 -19.793 5.799 15.219 1.00 33.04 O ATOM 79 CG2 THR A 7 -18.683 7.228 13.644 1.00 65.41 C ATOM 0 H THR A 7 -17.043 5.467 12.609 1.00 44.30 H new ATOM 0 HA THR A 7 -19.046 3.751 13.767 1.00 70.14 H new ATOM 0 HB THR A 7 -17.797 5.647 14.767 1.00 33.41 H new ATOM 0 HG1 THR A 7 -20.645 5.632 14.764 1.00 33.04 H new ATOM 0 HG21 THR A 7 -18.603 7.976 14.433 1.00 65.41 H new ATOM 0 HG22 THR A 7 -17.812 7.294 12.992 1.00 65.41 H new ATOM 0 HG23 THR A 7 -19.587 7.409 13.062 1.00 65.41 H new ATOM 87 N ASN A 8 -19.990 4.318 11.055 1.00 10.44 N ATOM 88 CA ASN A 8 -21.060 4.318 10.063 1.00 32.21 C ATOM 89 C ASN A 8 -21.111 2.988 9.299 1.00 74.44 C ATOM 90 O ASN A 8 -21.567 2.955 8.151 1.00 3.25 O ATOM 91 CB ASN A 8 -20.959 5.562 9.161 1.00 72.41 C ATOM 92 CG ASN A 8 -19.698 5.636 8.312 1.00 61.21 C ATOM 93 OD1 ASN A 8 -19.209 4.644 7.782 1.00 1.34 O ATOM 94 ND2 ASN A 8 -19.136 6.823 8.172 1.00 51.33 N ATOM 0 H ASN A 8 -19.119 3.928 10.695 1.00 10.44 H new ATOM 0 HA ASN A 8 -22.022 4.392 10.570 1.00 32.21 H new ATOM 0 HB2 ASN A 8 -21.826 5.586 8.501 1.00 72.41 H new ATOM 0 HB3 ASN A 8 -21.011 6.452 9.787 1.00 72.41 H new ATOM 0 HD21 ASN A 8 -18.285 6.922 7.618 1.00 51.33 H new ATOM 0 HD22 ASN A 8 -19.553 7.640 8.618 1.00 51.33 H new ATOM 100 N ASN A 9 -20.665 1.885 9.921 1.00 12.31 N ATOM 101 CA ASN A 9 -20.781 0.528 9.375 1.00 13.41 C ATOM 102 C ASN A 9 -22.247 0.089 9.306 1.00 4.44 C ATOM 103 O ASN A 9 -22.729 -0.637 10.175 1.00 5.12 O ATOM 104 CB ASN A 9 -19.957 -0.498 10.179 1.00 32.03 C ATOM 105 CG ASN A 9 -18.477 -0.440 9.848 1.00 62.03 C ATOM 106 OD1 ASN A 9 -18.086 -0.310 8.694 1.00 63.23 O ATOM 107 ND2 ASN A 9 -17.614 -0.509 10.839 1.00 24.02 N ATOM 0 H ASN A 9 -20.207 1.914 10.832 1.00 12.31 H new ATOM 0 HA ASN A 9 -20.372 0.560 8.365 1.00 13.41 H new ATOM 0 HB2 ASN A 9 -20.095 -0.316 11.245 1.00 32.03 H new ATOM 0 HB3 ASN A 9 -20.333 -1.501 9.976 1.00 32.03 H new ATOM 0 HD21 ASN A 9 -16.613 -0.454 10.649 1.00 24.02 H new ATOM 0 HD22 ASN A 9 -17.946 -0.617 11.797 1.00 24.02 H new ATOM 113 N PHE A 10 -22.936 0.532 8.262 1.00 54.44 N ATOM 114 CA PHE A 10 -24.069 -0.082 7.586 1.00 24.01 C ATOM 115 C PHE A 10 -24.100 0.568 6.201 1.00 72.32 C ATOM 116 O PHE A 10 -23.803 1.763 6.069 1.00 52.30 O ATOM 117 CB PHE A 10 -25.403 0.173 8.311 1.00 32.34 C ATOM 118 CG PHE A 10 -25.862 -0.944 9.228 1.00 74.14 C ATOM 119 CD1 PHE A 10 -26.425 -2.112 8.681 1.00 22.15 C ATOM 120 CD2 PHE A 10 -25.778 -0.804 10.624 1.00 45.40 C ATOM 121 CE1 PHE A 10 -26.889 -3.135 9.526 1.00 2.51 C ATOM 122 CE2 PHE A 10 -26.256 -1.819 11.471 1.00 3.54 C ATOM 123 CZ PHE A 10 -26.811 -2.988 10.922 1.00 43.42 C ATOM 0 H PHE A 10 -22.689 1.420 7.825 1.00 54.44 H new ATOM 0 HA PHE A 10 -23.953 -1.165 7.553 1.00 24.01 H new ATOM 0 HB2 PHE A 10 -25.311 1.088 8.897 1.00 32.34 H new ATOM 0 HB3 PHE A 10 -26.177 0.349 7.564 1.00 32.34 H new ATOM 0 HD1 PHE A 10 -26.501 -2.223 7.609 1.00 22.15 H new ATOM 0 HD2 PHE A 10 -25.344 0.089 11.049 1.00 45.40 H new ATOM 0 HE1 PHE A 10 -27.306 -4.036 9.102 1.00 2.51 H new ATOM 0 HE2 PHE A 10 -26.197 -1.701 12.543 1.00 3.54 H new ATOM 0 HZ PHE A 10 -27.176 -3.771 11.570 1.00 43.42 H new ATOM 132 N VAL A 11 -24.480 -0.199 5.183 1.00 73.43 N ATOM 133 CA VAL A 11 -24.876 0.297 3.872 1.00 5.12 C ATOM 134 C VAL A 11 -25.809 -0.752 3.268 1.00 74.04 C ATOM 135 O VAL A 11 -25.576 -1.955 3.449 1.00 14.14 O ATOM 136 CB VAL A 11 -23.630 0.595 3.005 1.00 32.42 C ATOM 137 CG1 VAL A 11 -22.813 -0.656 2.646 1.00 23.25 C ATOM 138 CG2 VAL A 11 -24.023 1.354 1.731 1.00 11.11 C ATOM 0 H VAL A 11 -24.521 -1.216 5.252 1.00 73.43 H new ATOM 0 HA VAL A 11 -25.407 1.247 3.935 1.00 5.12 H new ATOM 0 HB VAL A 11 -22.983 1.220 3.620 1.00 32.42 H new ATOM 0 HG11 VAL A 11 -21.956 -0.368 2.037 1.00 23.25 H new ATOM 0 HG12 VAL A 11 -22.464 -1.137 3.560 1.00 23.25 H new ATOM 0 HG13 VAL A 11 -23.439 -1.351 2.086 1.00 23.25 H new ATOM 0 HG21 VAL A 11 -23.131 1.553 1.136 1.00 11.11 H new ATOM 0 HG22 VAL A 11 -24.720 0.751 1.149 1.00 11.11 H new ATOM 0 HG23 VAL A 11 -24.497 2.298 2.001 1.00 11.11 H new ATOM 148 N SER A 12 -26.857 -0.336 2.558 1.00 64.12 N ATOM 149 CA SER A 12 -27.660 -1.267 1.778 1.00 14.41 C ATOM 150 C SER A 12 -26.838 -1.791 0.586 1.00 25.23 C ATOM 151 O SER A 12 -25.942 -1.088 0.114 1.00 62.13 O ATOM 152 CB SER A 12 -28.947 -0.569 1.323 1.00 25.23 C ATOM 153 OG SER A 12 -28.660 0.674 0.718 1.00 64.02 O ATOM 0 H SER A 12 -27.166 0.635 2.509 1.00 64.12 H new ATOM 0 HA SER A 12 -27.940 -2.126 2.388 1.00 14.41 H new ATOM 0 HB2 SER A 12 -29.481 -1.206 0.618 1.00 25.23 H new ATOM 0 HB3 SER A 12 -29.605 -0.418 2.178 1.00 25.23 H new ATOM 0 HG SER A 12 -29.496 1.100 0.434 1.00 64.02 H new ATOM 158 N PRO A 13 -27.130 -2.994 0.070 1.00 64.41 N ATOM 159 CA PRO A 13 -26.451 -3.585 -1.076 1.00 51.34 C ATOM 160 C PRO A 13 -26.766 -2.836 -2.371 1.00 3.42 C ATOM 161 O PRO A 13 -27.633 -3.252 -3.143 1.00 51.52 O ATOM 162 CB PRO A 13 -26.952 -5.027 -1.145 1.00 65.40 C ATOM 163 CG PRO A 13 -28.311 -4.992 -0.451 1.00 21.01 C ATOM 164 CD PRO A 13 -28.113 -3.914 0.608 1.00 5.11 C ATOM 0 HA PRO A 13 -25.368 -3.533 -0.961 1.00 51.34 H new ATOM 0 HB2 PRO A 13 -27.042 -5.367 -2.177 1.00 65.40 H new ATOM 0 HB3 PRO A 13 -26.267 -5.710 -0.642 1.00 65.40 H new ATOM 0 HG2 PRO A 13 -29.114 -4.738 -1.143 1.00 21.01 H new ATOM 0 HG3 PRO A 13 -28.565 -5.955 -0.008 1.00 21.01 H new ATOM 0 HD2 PRO A 13 -29.051 -3.401 0.821 1.00 5.11 H new ATOM 0 HD3 PRO A 13 -27.767 -4.349 1.546 1.00 5.11 H new ATOM 169 N ASN A 14 -26.054 -1.755 -2.665 1.00 4.52 N ATOM 170 CA ASN A 14 -26.204 -1.041 -3.924 1.00 54.30 C ATOM 171 C ASN A 14 -25.054 -0.056 -4.094 1.00 23.23 C ATOM 172 O ASN A 14 -24.916 0.871 -3.292 1.00 12.54 O ATOM 173 CB ASN A 14 -27.561 -0.325 -3.945 1.00 54.10 C ATOM 174 CG ASN A 14 -28.114 -0.279 -5.356 1.00 21.13 C ATOM 175 OD1 ASN A 14 -27.692 0.525 -6.183 1.00 2.34 O ATOM 176 ND2 ASN A 14 -29.022 -1.177 -5.683 1.00 4.43 N ATOM 0 H ASN A 14 -25.358 -1.351 -2.038 1.00 4.52 H new ATOM 0 HA ASN A 14 -26.174 -1.742 -4.758 1.00 54.30 H new ATOM 0 HB2 ASN A 14 -28.262 -0.842 -3.290 1.00 54.10 H new ATOM 0 HB3 ASN A 14 -27.451 0.688 -3.558 1.00 54.10 H new ATOM 0 HD21 ASN A 14 -29.385 -1.212 -6.636 1.00 4.43 H new ATOM 0 HD22 ASN A 14 -29.361 -1.837 -4.983 1.00 4.43 H new ATOM 182 N LEU A 15 -24.220 -0.240 -5.120 1.00 10.45 N ATOM 183 CA LEU A 15 -23.043 0.592 -5.378 1.00 13.34 C ATOM 184 C LEU A 15 -23.441 1.899 -6.082 1.00 33.35 C ATOM 185 O LEU A 15 -22.817 2.317 -7.055 1.00 22.44 O ATOM 186 CB LEU A 15 -22.007 -0.217 -6.179 1.00 43.33 C ATOM 187 CG LEU A 15 -20.611 0.458 -6.220 1.00 51.41 C ATOM 188 CD1 LEU A 15 -19.541 -0.410 -5.553 1.00 12.13 C ATOM 189 CD2 LEU A 15 -20.131 0.737 -7.648 1.00 54.14 C ATOM 0 H LEU A 15 -24.346 -0.984 -5.806 1.00 10.45 H new ATOM 0 HA LEU A 15 -22.584 0.879 -4.432 1.00 13.34 H new ATOM 0 HB2 LEU A 15 -21.911 -1.210 -5.740 1.00 43.33 H new ATOM 0 HB3 LEU A 15 -22.369 -0.352 -7.198 1.00 43.33 H new ATOM 0 HG LEU A 15 -20.740 1.397 -5.682 1.00 51.41 H new ATOM 0 HD11 LEU A 15 -18.578 0.098 -5.602 1.00 12.13 H new ATOM 0 HD12 LEU A 15 -19.808 -0.580 -4.510 1.00 12.13 H new ATOM 0 HD13 LEU A 15 -19.474 -1.367 -6.071 1.00 12.13 H new ATOM 0 HD21 LEU A 15 -19.149 1.210 -7.616 1.00 54.14 H new ATOM 0 HD22 LEU A 15 -20.064 -0.201 -8.199 1.00 54.14 H new ATOM 0 HD23 LEU A 15 -20.837 1.401 -8.146 1.00 54.14 H new ATOM 200 N GLN A 16 -24.470 2.594 -5.602 1.00 13.51 N ATOM 201 CA GLN A 16 -24.953 3.807 -6.262 1.00 22.14 C ATOM 202 C GLN A 16 -24.032 5.020 -6.050 1.00 31.03 C ATOM 203 O GLN A 16 -24.428 6.148 -6.321 1.00 22.04 O ATOM 204 CB GLN A 16 -26.403 4.106 -5.840 1.00 25.14 C ATOM 205 CG GLN A 16 -26.581 4.499 -4.361 1.00 10.34 C ATOM 206 CD GLN A 16 -27.797 5.405 -4.189 1.00 1.24 C ATOM 207 OE1 GLN A 16 -27.759 6.576 -4.561 1.00 51.51 O ATOM 208 NE2 GLN A 16 -28.900 4.906 -3.659 1.00 51.32 N ATOM 0 H GLN A 16 -24.986 2.339 -4.760 1.00 13.51 H new ATOM 0 HA GLN A 16 -24.937 3.616 -7.335 1.00 22.14 H new ATOM 0 HB2 GLN A 16 -26.788 4.912 -6.464 1.00 25.14 H new ATOM 0 HB3 GLN A 16 -27.014 3.226 -6.043 1.00 25.14 H new ATOM 0 HG2 GLN A 16 -26.700 3.602 -3.753 1.00 10.34 H new ATOM 0 HG3 GLN A 16 -25.687 5.010 -4.005 1.00 10.34 H new ATOM 0 HE21 GLN A 16 -28.924 3.933 -3.353 1.00 51.32 H new ATOM 0 HE22 GLN A 16 -29.727 5.493 -3.556 1.00 51.32 H new ATOM 215 N LEU A 17 -22.834 4.822 -5.505 1.00 12.22 N ATOM 216 CA LEU A 17 -22.098 5.798 -4.722 1.00 2.53 C ATOM 217 C LEU A 17 -20.600 5.690 -5.009 1.00 24.35 C ATOM 218 O LEU A 17 -19.926 4.781 -4.526 1.00 21.12 O ATOM 219 CB LEU A 17 -22.457 5.691 -3.219 1.00 73.00 C ATOM 220 CG LEU A 17 -22.893 4.325 -2.641 1.00 34.24 C ATOM 221 CD1 LEU A 17 -21.837 3.224 -2.735 1.00 1.34 C ATOM 222 CD2 LEU A 17 -23.275 4.497 -1.170 1.00 54.11 C ATOM 0 H LEU A 17 -22.333 3.939 -5.604 1.00 12.22 H new ATOM 0 HA LEU A 17 -22.396 6.802 -5.023 1.00 2.53 H new ATOM 0 HB2 LEU A 17 -21.589 6.026 -2.650 1.00 73.00 H new ATOM 0 HB3 LEU A 17 -23.260 6.401 -3.023 1.00 73.00 H new ATOM 0 HG LEU A 17 -23.735 4.004 -3.254 1.00 34.24 H new ATOM 0 HD11 LEU A 17 -22.232 2.303 -2.305 1.00 1.34 H new ATOM 0 HD12 LEU A 17 -21.580 3.055 -3.781 1.00 1.34 H new ATOM 0 HD13 LEU A 17 -20.945 3.527 -2.186 1.00 1.34 H new ATOM 0 HD21 LEU A 17 -23.583 3.535 -0.759 1.00 54.11 H new ATOM 0 HD22 LEU A 17 -22.416 4.871 -0.613 1.00 54.11 H new ATOM 0 HD23 LEU A 17 -24.098 5.207 -1.088 1.00 54.11 H new ATOM 233 N LYS A 18 -20.076 6.598 -5.832 1.00 3.44 N ATOM 234 CA LYS A 18 -18.656 6.741 -6.181 1.00 12.14 C ATOM 235 C LYS A 18 -17.828 7.342 -5.037 1.00 51.31 C ATOM 236 O LYS A 18 -17.209 8.401 -5.178 1.00 5.24 O ATOM 237 CB LYS A 18 -18.505 7.548 -7.482 1.00 32.25 C ATOM 238 CG LYS A 18 -19.194 6.817 -8.640 1.00 71.33 C ATOM 239 CD LYS A 18 -18.717 7.292 -10.015 1.00 24.34 C ATOM 240 CE LYS A 18 -19.195 6.347 -11.124 1.00 24.25 C ATOM 241 NZ LYS A 18 -18.461 5.062 -11.122 1.00 30.13 N ATOM 0 H LYS A 18 -20.659 7.292 -6.300 1.00 3.44 H new ATOM 0 HA LYS A 18 -18.255 5.742 -6.349 1.00 12.14 H new ATOM 0 HB2 LYS A 18 -18.941 8.539 -7.357 1.00 32.25 H new ATOM 0 HB3 LYS A 18 -17.449 7.691 -7.710 1.00 32.25 H new ATOM 0 HG2 LYS A 18 -19.010 5.747 -8.547 1.00 71.33 H new ATOM 0 HG3 LYS A 18 -20.272 6.963 -8.565 1.00 71.33 H new ATOM 0 HD2 LYS A 18 -19.090 8.298 -10.205 1.00 24.34 H new ATOM 0 HD3 LYS A 18 -17.629 7.349 -10.026 1.00 24.34 H new ATOM 0 HE2 LYS A 18 -20.261 6.154 -11.000 1.00 24.25 H new ATOM 0 HE3 LYS A 18 -19.070 6.833 -12.092 1.00 24.25 H new ATOM 0 HZ1 LYS A 18 -18.682 4.535 -11.991 1.00 30.13 H new ATOM 0 HZ2 LYS A 18 -17.438 5.246 -11.079 1.00 30.13 H new ATOM 0 HZ3 LYS A 18 -18.746 4.500 -10.294 1.00 30.13 H new ATOM 251 N GLN A 19 -17.805 6.652 -3.902 1.00 44.22 N ATOM 252 CA GLN A 19 -16.943 6.952 -2.777 1.00 13.23 C ATOM 253 C GLN A 19 -15.506 6.549 -3.140 1.00 12.25 C ATOM 254 O GLN A 19 -15.246 5.915 -4.165 1.00 52.24 O ATOM 255 CB GLN A 19 -17.426 6.206 -1.515 1.00 42.22 C ATOM 256 CG GLN A 19 -18.950 6.221 -1.295 1.00 14.42 C ATOM 257 CD GLN A 19 -19.400 5.597 0.029 1.00 33.43 C ATOM 258 OE1 GLN A 19 -20.261 6.141 0.717 1.00 14.41 O ATOM 259 NE2 GLN A 19 -18.913 4.421 0.389 1.00 24.32 N ATOM 0 H GLN A 19 -18.407 5.844 -3.740 1.00 44.22 H new ATOM 0 HA GLN A 19 -16.974 8.019 -2.558 1.00 13.23 H new ATOM 0 HB2 GLN A 19 -17.092 5.170 -1.573 1.00 42.22 H new ATOM 0 HB3 GLN A 19 -16.944 6.648 -0.643 1.00 42.22 H new ATOM 0 HG2 GLN A 19 -19.301 7.252 -1.336 1.00 14.42 H new ATOM 0 HG3 GLN A 19 -19.429 5.688 -2.116 1.00 14.42 H new ATOM 0 HE21 GLN A 19 -18.198 3.969 -0.181 1.00 24.32 H new ATOM 0 HE22 GLN A 19 -19.252 3.966 1.237 1.00 24.32 H new ATOM 266 N ASN A 20 -14.570 6.905 -2.268 1.00 53.13 N ATOM 267 CA ASN A 20 -13.158 6.555 -2.347 1.00 12.55 C ATOM 268 C ASN A 20 -12.985 5.100 -1.927 1.00 33.32 C ATOM 269 O ASN A 20 -12.944 4.763 -0.739 1.00 30.32 O ATOM 270 CB ASN A 20 -12.323 7.510 -1.489 1.00 22.44 C ATOM 271 CG ASN A 20 -10.830 7.190 -1.389 1.00 4.21 C ATOM 272 OD1 ASN A 20 -10.177 7.674 -0.465 1.00 5.45 O ATOM 273 ND2 ASN A 20 -10.239 6.419 -2.288 1.00 22.24 N ATOM 0 H ASN A 20 -14.786 7.472 -1.448 1.00 53.13 H new ATOM 0 HA ASN A 20 -12.801 6.659 -3.371 1.00 12.55 H new ATOM 0 HB2 ASN A 20 -12.432 8.517 -1.891 1.00 22.44 H new ATOM 0 HB3 ASN A 20 -12.740 7.521 -0.482 1.00 22.44 H new ATOM 0 HD21 ASN A 20 -9.240 6.225 -2.216 1.00 22.24 H new ATOM 0 HD22 ASN A 20 -10.782 6.019 -3.053 1.00 22.24 H new ATOM 279 N VAL A 21 -12.973 4.230 -2.923 1.00 41.13 N ATOM 280 CA VAL A 21 -12.724 2.800 -2.786 1.00 13.22 C ATOM 281 C VAL A 21 -11.209 2.559 -2.809 1.00 62.34 C ATOM 282 O VAL A 21 -10.501 3.080 -3.677 1.00 11.53 O ATOM 283 CB VAL A 21 -13.449 2.010 -3.899 1.00 43.43 C ATOM 284 CG1 VAL A 21 -13.461 0.506 -3.592 1.00 13.45 C ATOM 285 CG2 VAL A 21 -14.911 2.446 -4.074 1.00 45.22 C ATOM 0 H VAL A 21 -13.143 4.509 -3.889 1.00 41.13 H new ATOM 0 HA VAL A 21 -13.122 2.442 -1.837 1.00 13.22 H new ATOM 0 HB VAL A 21 -12.893 2.219 -4.813 1.00 43.43 H new ATOM 0 HG11 VAL A 21 -13.978 -0.025 -4.392 1.00 13.45 H new ATOM 0 HG12 VAL A 21 -12.436 0.142 -3.517 1.00 13.45 H new ATOM 0 HG13 VAL A 21 -13.978 0.331 -2.648 1.00 13.45 H new ATOM 0 HG21 VAL A 21 -15.373 1.859 -4.868 1.00 45.22 H new ATOM 0 HG22 VAL A 21 -15.453 2.285 -3.142 1.00 45.22 H new ATOM 0 HG23 VAL A 21 -14.946 3.503 -4.336 1.00 45.22 H new ATOM 295 N LEU A 22 -10.724 1.745 -1.871 1.00 54.23 N ATOM 296 CA LEU A 22 -9.342 1.273 -1.816 1.00 25.21 C ATOM 297 C LEU A 22 -9.040 0.315 -2.983 1.00 30.12 C ATOM 298 O LEU A 22 -9.944 -0.409 -3.411 1.00 4.13 O ATOM 299 CB LEU A 22 -9.115 0.496 -0.505 1.00 2.35 C ATOM 300 CG LEU A 22 -9.051 1.362 0.764 1.00 51.23 C ATOM 301 CD1 LEU A 22 -9.149 0.476 2.009 1.00 70.24 C ATOM 302 CD2 LEU A 22 -7.740 2.148 0.861 1.00 62.21 C ATOM 0 H LEU A 22 -11.298 1.386 -1.108 1.00 54.23 H new ATOM 0 HA LEU A 22 -8.689 2.144 -1.876 1.00 25.21 H new ATOM 0 HB2 LEU A 22 -9.918 -0.232 -0.389 1.00 2.35 H new ATOM 0 HB3 LEU A 22 -8.185 -0.066 -0.590 1.00 2.35 H new ATOM 0 HG LEU A 22 -9.885 2.061 0.707 1.00 51.23 H new ATOM 0 HD11 LEU A 22 -9.103 1.098 2.903 1.00 70.24 H new ATOM 0 HD12 LEU A 22 -10.093 -0.069 1.994 1.00 70.24 H new ATOM 0 HD13 LEU A 22 -8.321 -0.233 2.017 1.00 70.24 H new ATOM 0 HD21 LEU A 22 -7.740 2.745 1.773 1.00 62.21 H new ATOM 0 HD22 LEU A 22 -6.900 1.454 0.882 1.00 62.21 H new ATOM 0 HD23 LEU A 22 -7.645 2.806 -0.003 1.00 62.21 H new ATOM 313 N PRO A 23 -7.779 0.218 -3.438 1.00 63.44 N ATOM 314 CA PRO A 23 -7.338 -0.796 -4.402 1.00 25.04 C ATOM 315 C PRO A 23 -7.426 -2.241 -3.849 1.00 62.33 C ATOM 316 O PRO A 23 -7.646 -2.443 -2.646 1.00 3.54 O ATOM 317 CB PRO A 23 -5.911 -0.384 -4.802 1.00 31.13 C ATOM 318 CG PRO A 23 -5.431 0.451 -3.628 1.00 24.21 C ATOM 319 CD PRO A 23 -6.690 1.122 -3.105 1.00 24.31 C ATOM 0 HA PRO A 23 -7.995 -0.827 -5.271 1.00 25.04 H new ATOM 0 HB2 PRO A 23 -5.274 -1.254 -4.961 1.00 31.13 H new ATOM 0 HB3 PRO A 23 -5.905 0.189 -5.729 1.00 31.13 H new ATOM 0 HG2 PRO A 23 -4.964 -0.169 -2.863 1.00 24.21 H new ATOM 0 HG3 PRO A 23 -4.689 1.186 -3.940 1.00 24.21 H new ATOM 0 HD2 PRO A 23 -6.630 1.284 -2.029 1.00 24.31 H new ATOM 0 HD3 PRO A 23 -6.835 2.098 -3.567 1.00 24.31 H new ATOM 324 N PRO A 24 -7.300 -3.258 -4.730 1.00 13.33 N ATOM 325 CA PRO A 24 -7.479 -4.674 -4.394 1.00 63.32 C ATOM 326 C PRO A 24 -6.236 -5.312 -3.736 1.00 63.44 C ATOM 327 O PRO A 24 -5.239 -4.637 -3.487 1.00 74.00 O ATOM 328 CB PRO A 24 -7.837 -5.334 -5.731 1.00 1.25 C ATOM 329 CG PRO A 24 -7.038 -4.512 -6.738 1.00 11.51 C ATOM 330 CD PRO A 24 -7.173 -3.104 -6.178 1.00 5.51 C ATOM 0 HA PRO A 24 -8.254 -4.811 -3.640 1.00 63.32 H new ATOM 0 HB2 PRO A 24 -7.553 -6.386 -5.752 1.00 1.25 H new ATOM 0 HB3 PRO A 24 -8.908 -5.289 -5.931 1.00 1.25 H new ATOM 0 HG2 PRO A 24 -5.997 -4.832 -6.791 1.00 11.51 H new ATOM 0 HG3 PRO A 24 -7.447 -4.591 -7.745 1.00 11.51 H new ATOM 0 HD2 PRO A 24 -6.303 -2.498 -6.431 1.00 5.51 H new ATOM 0 HD3 PRO A 24 -8.045 -2.600 -6.595 1.00 5.51 H new ATOM 335 N THR A 25 -6.274 -6.618 -3.436 1.00 73.00 N ATOM 336 CA THR A 25 -5.321 -7.320 -2.558 1.00 51.52 C ATOM 337 C THR A 25 -5.225 -8.820 -2.904 1.00 2.14 C ATOM 338 O THR A 25 -6.113 -9.341 -3.588 1.00 1.34 O ATOM 339 CB THR A 25 -5.803 -7.153 -1.099 1.00 54.43 C ATOM 340 OG1 THR A 25 -7.224 -7.284 -1.039 1.00 65.41 O ATOM 341 CG2 THR A 25 -5.351 -5.814 -0.505 1.00 65.23 C ATOM 0 H THR A 25 -6.993 -7.238 -3.810 1.00 73.00 H new ATOM 0 HA THR A 25 -4.329 -6.890 -2.695 1.00 51.52 H new ATOM 0 HB THR A 25 -5.349 -7.941 -0.498 1.00 54.43 H new ATOM 0 HG1 THR A 25 -7.523 -7.179 -0.112 1.00 65.41 H new ATOM 0 HG21 THR A 25 -5.708 -5.732 0.522 1.00 65.23 H new ATOM 0 HG22 THR A 25 -4.262 -5.760 -0.516 1.00 65.23 H new ATOM 0 HG23 THR A 25 -5.760 -4.996 -1.098 1.00 65.23 H new ATOM 349 N PRO A 26 -4.198 -9.554 -2.418 1.00 12.21 N ATOM 350 CA PRO A 26 -4.112 -11.007 -2.586 1.00 2.23 C ATOM 351 C PRO A 26 -5.148 -11.736 -1.715 1.00 62.01 C ATOM 352 O PRO A 26 -5.619 -11.202 -0.706 1.00 13.51 O ATOM 353 CB PRO A 26 -2.682 -11.389 -2.187 1.00 22.03 C ATOM 354 CG PRO A 26 -2.244 -10.271 -1.249 1.00 12.23 C ATOM 355 CD PRO A 26 -3.059 -9.051 -1.658 1.00 44.33 C ATOM 0 HA PRO A 26 -4.330 -11.300 -3.613 1.00 2.23 H new ATOM 0 HB2 PRO A 26 -2.653 -12.359 -1.691 1.00 22.03 H new ATOM 0 HB3 PRO A 26 -2.030 -11.456 -3.058 1.00 22.03 H new ATOM 0 HG2 PRO A 26 -2.431 -10.536 -0.208 1.00 12.23 H new ATOM 0 HG3 PRO A 26 -1.175 -10.078 -1.342 1.00 12.23 H new ATOM 0 HD2 PRO A 26 -3.392 -8.494 -0.782 1.00 44.33 H new ATOM 0 HD3 PRO A 26 -2.460 -8.368 -2.261 1.00 44.33 H new ATOM 360 N LYS A 27 -5.462 -12.992 -2.050 1.00 2.43 N ATOM 361 CA LYS A 27 -6.518 -13.797 -1.421 1.00 60.33 C ATOM 362 C LYS A 27 -6.065 -14.457 -0.116 1.00 11.44 C ATOM 363 O LYS A 27 -6.190 -15.675 0.047 1.00 43.30 O ATOM 364 CB LYS A 27 -7.095 -14.808 -2.424 1.00 72.42 C ATOM 365 CG LYS A 27 -6.037 -15.705 -3.076 1.00 54.24 C ATOM 366 CD LYS A 27 -6.677 -16.947 -3.688 1.00 1.21 C ATOM 367 CE LYS A 27 -6.961 -18.031 -2.642 1.00 64.44 C ATOM 368 NZ LYS A 27 -7.479 -19.251 -3.293 1.00 52.24 N ATOM 0 H LYS A 27 -4.973 -13.494 -2.791 1.00 2.43 H new ATOM 0 HA LYS A 27 -7.321 -13.117 -1.134 1.00 60.33 H new ATOM 0 HB2 LYS A 27 -7.825 -15.436 -1.914 1.00 72.42 H new ATOM 0 HB3 LYS A 27 -7.630 -14.267 -3.204 1.00 72.42 H new ATOM 0 HG2 LYS A 27 -5.507 -15.147 -3.848 1.00 54.24 H new ATOM 0 HG3 LYS A 27 -5.297 -16.001 -2.332 1.00 54.24 H new ATOM 0 HD2 LYS A 27 -7.608 -16.668 -4.181 1.00 1.21 H new ATOM 0 HD3 LYS A 27 -6.018 -17.351 -4.457 1.00 1.21 H new ATOM 0 HE2 LYS A 27 -6.049 -18.264 -2.093 1.00 64.44 H new ATOM 0 HE3 LYS A 27 -7.685 -17.663 -1.915 1.00 64.44 H new ATOM 0 HZ1 LYS A 27 -7.667 -19.976 -2.572 1.00 52.24 H new ATOM 0 HZ2 LYS A 27 -8.361 -19.028 -3.797 1.00 52.24 H new ATOM 0 HZ3 LYS A 27 -6.775 -19.609 -3.969 1.00 52.24 H new ATOM 378 N ASN A 28 -5.471 -13.690 0.804 1.00 40.30 N ATOM 379 CA ASN A 28 -4.799 -14.254 1.953 1.00 52.14 C ATOM 380 C ASN A 28 -4.988 -13.446 3.218 1.00 33.01 C ATOM 381 O ASN A 28 -5.155 -14.059 4.270 1.00 42.53 O ATOM 382 CB ASN A 28 -3.307 -14.398 1.653 1.00 34.02 C ATOM 383 CG ASN A 28 -3.046 -15.545 0.704 1.00 63.31 C ATOM 384 OD1 ASN A 28 -3.012 -16.694 1.129 1.00 42.51 O ATOM 385 ND2 ASN A 28 -2.837 -15.292 -0.573 1.00 60.42 N ATOM 0 H ASN A 28 -5.449 -12.671 0.764 1.00 40.30 H new ATOM 0 HA ASN A 28 -5.252 -15.228 2.135 1.00 52.14 H new ATOM 0 HB2 ASN A 28 -2.930 -13.472 1.220 1.00 34.02 H new ATOM 0 HB3 ASN A 28 -2.761 -14.561 2.582 1.00 34.02 H new ATOM 0 HD21 ASN A 28 -2.644 -16.057 -1.220 1.00 60.42 H new ATOM 0 HD22 ASN A 28 -2.868 -14.331 -0.914 1.00 60.42 H new ATOM 391 N ILE A 29 -4.863 -12.115 3.166 1.00 12.24 N ATOM 392 CA ILE A 29 -4.783 -11.295 4.368 1.00 2.12 C ATOM 393 C ILE A 29 -5.406 -9.912 4.091 1.00 10.12 C ATOM 394 O ILE A 29 -5.509 -9.529 2.922 1.00 54.21 O ATOM 395 CB ILE A 29 -3.303 -11.182 4.824 1.00 43.22 C ATOM 396 CG1 ILE A 29 -2.418 -10.233 3.991 1.00 23.24 C ATOM 397 CG2 ILE A 29 -2.582 -12.521 4.992 1.00 60.04 C ATOM 398 CD1 ILE A 29 -2.247 -10.549 2.515 1.00 13.31 C ATOM 0 H ILE A 29 -4.815 -11.585 2.296 1.00 12.24 H new ATOM 0 HA ILE A 29 -5.346 -11.759 5.178 1.00 2.12 H new ATOM 0 HB ILE A 29 -3.428 -10.730 5.808 1.00 43.22 H new ATOM 0 HG12 ILE A 29 -2.831 -9.228 4.074 1.00 23.24 H new ATOM 0 HG13 ILE A 29 -1.428 -10.209 4.447 1.00 23.24 H new ATOM 0 HG21 ILE A 29 -1.555 -12.344 5.312 1.00 60.04 H new ATOM 0 HG22 ILE A 29 -3.098 -13.120 5.742 1.00 60.04 H new ATOM 0 HG23 ILE A 29 -2.579 -13.054 4.041 1.00 60.04 H new ATOM 0 HD11 ILE A 29 -1.602 -9.801 2.055 1.00 13.31 H new ATOM 0 HD12 ILE A 29 -1.796 -11.535 2.404 1.00 13.31 H new ATOM 0 HD13 ILE A 29 -3.221 -10.538 2.025 1.00 13.31 H new ATOM 409 N PRO A 30 -5.778 -9.138 5.126 1.00 22.03 N ATOM 410 CA PRO A 30 -6.283 -7.770 4.995 1.00 11.45 C ATOM 411 C PRO A 30 -5.151 -6.791 4.647 1.00 72.33 C ATOM 412 O PRO A 30 -3.976 -7.131 4.779 1.00 74.23 O ATOM 413 CB PRO A 30 -6.918 -7.460 6.354 1.00 34.03 C ATOM 414 CG PRO A 30 -6.107 -8.297 7.333 1.00 63.40 C ATOM 415 CD PRO A 30 -5.770 -9.541 6.521 1.00 21.15 C ATOM 0 HA PRO A 30 -7.004 -7.667 4.184 1.00 11.45 H new ATOM 0 HB2 PRO A 30 -6.858 -6.398 6.591 1.00 34.03 H new ATOM 0 HB3 PRO A 30 -7.973 -7.732 6.374 1.00 34.03 H new ATOM 0 HG2 PRO A 30 -5.209 -7.775 7.663 1.00 63.40 H new ATOM 0 HG3 PRO A 30 -6.681 -8.541 8.227 1.00 63.40 H new ATOM 0 HD2 PRO A 30 -4.795 -9.937 6.805 1.00 21.15 H new ATOM 0 HD3 PRO A 30 -6.499 -10.331 6.701 1.00 21.15 H new ATOM 420 N LEU A 31 -5.472 -5.550 4.273 1.00 72.24 N ATOM 421 CA LEU A 31 -4.483 -4.496 4.011 1.00 41.52 C ATOM 422 C LEU A 31 -3.489 -4.321 5.178 1.00 54.13 C ATOM 423 O LEU A 31 -2.286 -4.451 4.944 1.00 70.11 O ATOM 424 CB LEU A 31 -5.182 -3.188 3.597 1.00 62.44 C ATOM 425 CG LEU A 31 -4.250 -2.036 3.158 1.00 22.05 C ATOM 426 CD1 LEU A 31 -3.568 -1.292 4.314 1.00 21.32 C ATOM 427 CD2 LEU A 31 -3.186 -2.478 2.149 1.00 14.11 C ATOM 0 H LEU A 31 -6.436 -5.243 4.142 1.00 72.24 H new ATOM 0 HA LEU A 31 -3.870 -4.808 3.166 1.00 41.52 H new ATOM 0 HB2 LEU A 31 -5.867 -3.408 2.778 1.00 62.44 H new ATOM 0 HB3 LEU A 31 -5.787 -2.841 4.434 1.00 62.44 H new ATOM 0 HG LEU A 31 -4.933 -1.336 2.676 1.00 22.05 H new ATOM 0 HD11 LEU A 31 -2.934 -0.501 3.914 1.00 21.32 H new ATOM 0 HD12 LEU A 31 -4.327 -0.855 4.963 1.00 21.32 H new ATOM 0 HD13 LEU A 31 -2.959 -1.991 4.887 1.00 21.32 H new ATOM 0 HD21 LEU A 31 -2.563 -1.625 1.880 1.00 14.11 H new ATOM 0 HD22 LEU A 31 -2.564 -3.255 2.593 1.00 14.11 H new ATOM 0 HD23 LEU A 31 -3.672 -2.869 1.255 1.00 14.11 H new ATOM 438 N PRO A 32 -3.921 -4.108 6.439 1.00 53.43 N ATOM 439 CA PRO A 32 -3.030 -4.037 7.604 1.00 74.22 C ATOM 440 C PRO A 32 -2.263 -5.343 7.912 1.00 45.44 C ATOM 441 O PRO A 32 -1.588 -5.433 8.938 1.00 74.44 O ATOM 442 CB PRO A 32 -3.891 -3.530 8.767 1.00 50.10 C ATOM 443 CG PRO A 32 -5.304 -3.948 8.375 1.00 64.40 C ATOM 444 CD PRO A 32 -5.282 -3.787 6.859 1.00 62.02 C ATOM 0 HA PRO A 32 -2.209 -3.349 7.403 1.00 74.22 H new ATOM 0 HB2 PRO A 32 -3.589 -3.977 9.714 1.00 50.10 H new ATOM 0 HB3 PRO A 32 -3.810 -2.449 8.884 1.00 50.10 H new ATOM 0 HG2 PRO A 32 -5.522 -4.974 8.672 1.00 64.40 H new ATOM 0 HG3 PRO A 32 -6.059 -3.315 8.840 1.00 64.40 H new ATOM 0 HD2 PRO A 32 -6.004 -4.453 6.386 1.00 62.02 H new ATOM 0 HD3 PRO A 32 -5.550 -2.770 6.571 1.00 62.02 H new ATOM 449 N ALA A 33 -2.352 -6.372 7.071 1.00 3.44 N ATOM 450 CA ALA A 33 -1.437 -7.503 7.057 1.00 51.51 C ATOM 451 C ALA A 33 -0.567 -7.490 5.804 1.00 22.23 C ATOM 452 O ALA A 33 0.641 -7.707 5.919 1.00 74.30 O ATOM 453 CB ALA A 33 -2.247 -8.775 7.171 1.00 32.21 C ATOM 0 H ALA A 33 -3.083 -6.440 6.363 1.00 3.44 H new ATOM 0 HA ALA A 33 -0.754 -7.440 7.904 1.00 51.51 H new ATOM 0 HB1 ALA A 33 -1.577 -9.635 7.162 1.00 32.21 H new ATOM 0 HB2 ALA A 33 -2.812 -8.764 8.103 1.00 32.21 H new ATOM 0 HB3 ALA A 33 -2.937 -8.844 6.330 1.00 32.21 H new ATOM 459 N PHE A 34 -1.151 -7.192 4.636 1.00 22.23 N ATOM 460 CA PHE A 34 -0.478 -7.250 3.343 1.00 5.35 C ATOM 461 C PHE A 34 0.753 -6.339 3.261 1.00 72.43 C ATOM 462 O PHE A 34 1.615 -6.562 2.417 1.00 3.11 O ATOM 463 CB PHE A 34 -1.472 -6.930 2.210 1.00 33.24 C ATOM 464 CG PHE A 34 -0.885 -7.047 0.811 1.00 34.24 C ATOM 465 CD1 PHE A 34 -0.033 -8.123 0.485 1.00 62.10 C ATOM 466 CD2 PHE A 34 -1.123 -6.040 -0.147 1.00 12.15 C ATOM 467 CE1 PHE A 34 0.633 -8.135 -0.748 1.00 64.13 C ATOM 468 CE2 PHE A 34 -0.523 -6.105 -1.414 1.00 32.21 C ATOM 469 CZ PHE A 34 0.386 -7.135 -1.700 1.00 32.15 C ATOM 0 H PHE A 34 -2.125 -6.898 4.568 1.00 22.23 H new ATOM 0 HA PHE A 34 -0.110 -8.269 3.225 1.00 5.35 H new ATOM 0 HB2 PHE A 34 -2.326 -7.603 2.291 1.00 33.24 H new ATOM 0 HB3 PHE A 34 -1.850 -5.917 2.349 1.00 33.24 H new ATOM 0 HD1 PHE A 34 0.106 -8.935 1.183 1.00 62.10 H new ATOM 0 HD2 PHE A 34 -1.772 -5.212 0.096 1.00 12.15 H new ATOM 0 HE1 PHE A 34 1.342 -8.920 -0.967 1.00 64.13 H new ATOM 0 HE2 PHE A 34 -0.760 -5.366 -2.165 1.00 32.21 H new ATOM 0 HZ PHE A 34 0.895 -7.158 -2.652 1.00 32.15 H new ATOM 478 N GLY A 35 0.874 -5.360 4.155 1.00 43.14 N ATOM 479 CA GLY A 35 2.071 -4.553 4.285 1.00 3.15 C ATOM 480 C GLY A 35 2.846 -4.893 5.547 1.00 2.34 C ATOM 481 O GLY A 35 4.036 -5.199 5.480 1.00 71.41 O ATOM 0 H GLY A 35 0.135 -5.108 4.811 1.00 43.14 H new ATOM 0 HA2 GLY A 35 2.709 -4.706 3.414 1.00 3.15 H new ATOM 0 HA3 GLY A 35 1.798 -3.498 4.299 1.00 3.15 H new ATOM 485 N GLN A 36 2.177 -4.827 6.704 1.00 25.12 N ATOM 486 CA GLN A 36 2.816 -4.798 8.021 1.00 44.31 C ATOM 487 C GLN A 36 3.685 -6.028 8.316 1.00 52.14 C ATOM 488 O GLN A 36 4.548 -5.945 9.186 1.00 22.05 O ATOM 489 CB GLN A 36 1.766 -4.635 9.137 1.00 45.43 C ATOM 490 CG GLN A 36 0.903 -3.366 9.039 1.00 72.10 C ATOM 491 CD GLN A 36 -0.016 -3.181 10.260 1.00 44.23 C ATOM 492 OE1 GLN A 36 -0.187 -4.064 11.092 1.00 71.43 O ATOM 493 NE2 GLN A 36 -0.644 -2.031 10.415 1.00 41.11 N ATOM 0 H GLN A 36 1.159 -4.792 6.750 1.00 25.12 H new ATOM 0 HA GLN A 36 3.481 -3.935 8.001 1.00 44.31 H new ATOM 0 HB2 GLN A 36 1.109 -5.505 9.126 1.00 45.43 H new ATOM 0 HB3 GLN A 36 2.278 -4.634 10.099 1.00 45.43 H new ATOM 0 HG2 GLN A 36 1.552 -2.496 8.942 1.00 72.10 H new ATOM 0 HG3 GLN A 36 0.296 -3.413 8.135 1.00 72.10 H new ATOM 0 HE21 GLN A 36 -0.515 -1.283 9.733 1.00 41.11 H new ATOM 0 HE22 GLN A 36 -1.259 -1.890 11.217 1.00 41.11 H new ATOM 500 N ARG A 37 3.470 -7.155 7.626 1.00 44.51 N ATOM 501 CA ARG A 37 4.175 -8.416 7.874 1.00 25.02 C ATOM 502 C ARG A 37 4.816 -8.977 6.603 1.00 65.02 C ATOM 503 O ARG A 37 5.161 -10.155 6.559 1.00 53.52 O ATOM 504 CB ARG A 37 3.203 -9.404 8.547 1.00 52.50 C ATOM 505 CG ARG A 37 2.765 -8.865 9.919 1.00 54.43 C ATOM 506 CD ARG A 37 2.137 -9.950 10.789 1.00 4.22 C ATOM 507 NE ARG A 37 1.700 -9.396 12.079 1.00 45.43 N ATOM 508 CZ ARG A 37 0.973 -10.030 13.003 1.00 13.25 C ATOM 509 NH1 ARG A 37 0.675 -11.317 12.858 1.00 72.23 N ATOM 510 NH2 ARG A 37 0.551 -9.358 14.065 1.00 11.23 N ATOM 0 H ARG A 37 2.790 -7.216 6.868 1.00 44.51 H new ATOM 0 HA ARG A 37 5.010 -8.238 8.552 1.00 25.02 H new ATOM 0 HB2 ARG A 37 2.330 -9.556 7.912 1.00 52.50 H new ATOM 0 HB3 ARG A 37 3.684 -10.375 8.666 1.00 52.50 H new ATOM 0 HG2 ARG A 37 3.628 -8.442 10.434 1.00 54.43 H new ATOM 0 HG3 ARG A 37 2.050 -8.055 9.778 1.00 54.43 H new ATOM 0 HD2 ARG A 37 1.286 -10.391 10.270 1.00 4.22 H new ATOM 0 HD3 ARG A 37 2.858 -10.750 10.957 1.00 4.22 H new ATOM 0 HE ARG A 37 1.978 -8.437 12.288 1.00 45.43 H new ATOM 0 HH11 ARG A 37 1.002 -11.827 12.037 1.00 72.23 H new ATOM 0 HH12 ARG A 37 0.119 -11.795 13.567 1.00 72.23 H new ATOM 0 HH21 ARG A 37 0.782 -8.370 14.168 1.00 11.23 H new ATOM 0 HH22 ARG A 37 -0.005 -9.829 14.779 1.00 11.23 H new ATOM 521 N ILE A 38 4.920 -8.156 5.554 1.00 32.31 N ATOM 522 CA ILE A 38 5.241 -8.584 4.196 1.00 52.50 C ATOM 523 C ILE A 38 6.245 -7.586 3.619 1.00 45.34 C ATOM 524 O ILE A 38 7.392 -7.933 3.349 1.00 43.13 O ATOM 525 CB ILE A 38 3.927 -8.658 3.376 1.00 13.11 C ATOM 526 CG1 ILE A 38 2.857 -9.605 3.964 1.00 73.13 C ATOM 527 CG2 ILE A 38 4.165 -8.989 1.892 1.00 1.11 C ATOM 528 CD1 ILE A 38 3.203 -11.087 3.829 1.00 41.41 C ATOM 0 H ILE A 38 4.779 -7.149 5.632 1.00 32.31 H new ATOM 0 HA ILE A 38 5.694 -9.575 4.169 1.00 52.50 H new ATOM 0 HB ILE A 38 3.526 -7.647 3.447 1.00 13.11 H new ATOM 0 HG12 ILE A 38 2.717 -9.369 5.019 1.00 73.13 H new ATOM 0 HG13 ILE A 38 1.906 -9.417 3.466 1.00 73.13 H new ATOM 0 HG21 ILE A 38 3.209 -9.027 1.370 1.00 1.11 H new ATOM 0 HG22 ILE A 38 4.793 -8.219 1.444 1.00 1.11 H new ATOM 0 HG23 ILE A 38 4.662 -9.956 1.810 1.00 1.11 H new ATOM 0 HD11 ILE A 38 2.405 -11.688 4.264 1.00 41.41 H new ATOM 0 HD12 ILE A 38 3.314 -11.340 2.775 1.00 41.41 H new ATOM 0 HD13 ILE A 38 4.137 -11.292 4.352 1.00 41.41 H new ATOM 539 N ILE A 39 5.803 -6.339 3.460 1.00 41.30 N ATOM 540 CA ILE A 39 6.552 -5.204 2.928 1.00 30.44 C ATOM 541 C ILE A 39 7.435 -4.591 4.035 1.00 32.21 C ATOM 542 O ILE A 39 8.151 -3.621 3.811 1.00 1.42 O ATOM 543 CB ILE A 39 5.526 -4.199 2.334 1.00 70.01 C ATOM 544 CG1 ILE A 39 4.477 -4.850 1.394 1.00 45.22 C ATOM 545 CG2 ILE A 39 6.172 -3.052 1.551 1.00 1.45 C ATOM 546 CD1 ILE A 39 5.023 -5.522 0.129 1.00 1.32 C ATOM 0 H ILE A 39 4.851 -6.079 3.716 1.00 41.30 H new ATOM 0 HA ILE A 39 7.234 -5.507 2.134 1.00 30.44 H new ATOM 0 HB ILE A 39 5.033 -3.814 3.226 1.00 70.01 H new ATOM 0 HG12 ILE A 39 3.922 -5.595 1.964 1.00 45.22 H new ATOM 0 HG13 ILE A 39 3.764 -4.082 1.093 1.00 45.22 H new ATOM 0 HG21 ILE A 39 5.395 -2.391 1.166 1.00 1.45 H new ATOM 0 HG22 ILE A 39 6.834 -2.489 2.209 1.00 1.45 H new ATOM 0 HG23 ILE A 39 6.748 -3.458 0.719 1.00 1.45 H new ATOM 0 HD11 ILE A 39 4.197 -5.940 -0.447 1.00 1.32 H new ATOM 0 HD12 ILE A 39 5.550 -4.785 -0.476 1.00 1.32 H new ATOM 0 HD13 ILE A 39 5.710 -6.320 0.409 1.00 1.32 H new ATOM 557 N GLY A 40 7.349 -5.104 5.270 1.00 52.14 N ATOM 558 CA GLY A 40 8.234 -4.713 6.363 1.00 61.34 C ATOM 559 C GLY A 40 8.104 -3.237 6.748 1.00 74.34 C ATOM 560 O GLY A 40 8.937 -2.704 7.477 1.00 13.24 O ATOM 0 H GLY A 40 6.658 -5.806 5.535 1.00 52.14 H new ATOM 0 HA2 GLY A 40 8.017 -5.329 7.235 1.00 61.34 H new ATOM 0 HA3 GLY A 40 9.266 -4.917 6.077 1.00 61.34 H new ATOM 564 N TRP A 41 7.062 -2.558 6.261 1.00 71.43 N ATOM 565 CA TRP A 41 6.957 -1.107 6.202 1.00 1.33 C ATOM 566 C TRP A 41 6.423 -0.496 7.498 1.00 24.34 C ATOM 567 O TRP A 41 5.823 0.583 7.460 1.00 23.24 O ATOM 568 CB TRP A 41 6.085 -0.746 4.988 1.00 22.35 C ATOM 569 CG TRP A 41 4.619 -1.082 5.061 1.00 42.21 C ATOM 570 CD1 TRP A 41 3.981 -1.683 6.092 1.00 4.22 C ATOM 571 CD2 TRP A 41 3.573 -0.769 4.097 1.00 44.34 C ATOM 572 NE1 TRP A 41 2.622 -1.643 5.901 1.00 14.51 N ATOM 573 CE2 TRP A 41 2.311 -1.109 4.675 1.00 44.11 C ATOM 574 CE3 TRP A 41 3.550 -0.185 2.811 1.00 1.42 C ATOM 575 CZ2 TRP A 41 1.094 -0.871 4.026 1.00 63.04 C ATOM 576 CZ3 TRP A 41 2.332 0.003 2.134 1.00 53.41 C ATOM 577 CH2 TRP A 41 1.108 -0.287 2.755 1.00 1.41 C ATOM 0 H TRP A 41 6.239 -3.027 5.883 1.00 71.43 H new ATOM 0 HA TRP A 41 7.953 -0.680 6.086 1.00 1.33 H new ATOM 0 HB2 TRP A 41 6.176 0.326 4.815 1.00 22.35 H new ATOM 0 HB3 TRP A 41 6.502 -1.246 4.114 1.00 22.35 H new ATOM 0 HD1 TRP A 41 4.471 -2.131 6.944 1.00 4.22 H new ATOM 0 HE1 TRP A 41 1.934 -1.967 6.581 1.00 14.51 H new ATOM 0 HE3 TRP A 41 4.475 0.119 2.344 1.00 1.42 H new ATOM 0 HZ2 TRP A 41 0.159 -1.134 4.499 1.00 63.04 H new ATOM 0 HZ3 TRP A 41 2.339 0.376 1.121 1.00 53.41 H new ATOM 0 HH2 TRP A 41 0.179 -0.060 2.253 1.00 1.41 H new ATOM 587 N GLY A 42 6.550 -1.202 8.624 1.00 2.42 N ATOM 588 CA GLY A 42 5.901 -0.900 9.888 1.00 63.21 C ATOM 589 C GLY A 42 4.438 -0.593 9.644 1.00 44.53 C ATOM 590 O GLY A 42 3.729 -1.506 9.231 1.00 71.02 O ATOM 0 H GLY A 42 7.136 -2.036 8.675 1.00 2.42 H new ATOM 0 HA2 GLY A 42 5.997 -1.745 10.570 1.00 63.21 H new ATOM 0 HA3 GLY A 42 6.388 -0.049 10.365 1.00 63.21 H new ATOM 594 N THR A 43 3.999 0.655 9.852 1.00 21.01 N ATOM 595 CA THR A 43 2.669 1.122 9.410 1.00 12.22 C ATOM 596 C THR A 43 2.433 2.638 9.515 1.00 13.34 C ATOM 597 O THR A 43 1.293 3.096 9.397 1.00 72.24 O ATOM 598 CB THR A 43 1.522 0.316 10.073 1.00 65.10 C ATOM 599 OG1 THR A 43 0.305 0.451 9.354 1.00 41.31 O ATOM 600 CG2 THR A 43 1.283 0.633 11.541 1.00 14.22 C ATOM 0 H THR A 43 4.549 1.370 10.328 1.00 21.01 H new ATOM 0 HA THR A 43 2.659 0.920 8.339 1.00 12.22 H new ATOM 0 HB THR A 43 1.867 -0.717 10.034 1.00 65.10 H new ATOM 0 HG1 THR A 43 0.178 1.389 9.099 1.00 41.31 H new ATOM 0 HG21 THR A 43 0.463 0.021 11.917 1.00 14.22 H new ATOM 0 HG22 THR A 43 2.187 0.418 12.111 1.00 14.22 H new ATOM 0 HG23 THR A 43 1.028 1.687 11.649 1.00 14.22 H new ATOM 608 N GLY A 44 3.466 3.449 9.693 1.00 53.14 N ATOM 609 CA GLY A 44 3.308 4.852 10.065 1.00 53.30 C ATOM 610 C GLY A 44 4.379 5.771 9.506 1.00 74.20 C ATOM 611 O GLY A 44 4.984 6.500 10.289 1.00 34.34 O ATOM 0 H GLY A 44 4.437 3.156 9.584 1.00 53.14 H new ATOM 0 HA2 GLY A 44 2.333 5.199 9.722 1.00 53.30 H new ATOM 0 HA3 GLY A 44 3.310 4.930 11.152 1.00 53.30 H new ATOM 615 N ALA A 45 4.609 5.763 8.186 1.00 54.54 N ATOM 616 CA ALA A 45 5.580 6.592 7.458 1.00 51.23 C ATOM 617 C ALA A 45 7.014 6.134 7.752 1.00 73.44 C ATOM 618 O ALA A 45 7.725 5.715 6.848 1.00 2.44 O ATOM 619 CB ALA A 45 5.374 8.093 7.715 1.00 11.31 C ATOM 0 H ALA A 45 4.093 5.143 7.562 1.00 54.54 H new ATOM 0 HA ALA A 45 5.405 6.450 6.392 1.00 51.23 H new ATOM 0 HB1 ALA A 45 6.115 8.663 7.155 1.00 11.31 H new ATOM 0 HB2 ALA A 45 4.374 8.383 7.393 1.00 11.31 H new ATOM 0 HB3 ALA A 45 5.486 8.299 8.780 1.00 11.31 H new ATOM 625 N GLU A 46 7.418 6.149 9.021 1.00 72.04 N ATOM 626 CA GLU A 46 8.703 5.690 9.535 1.00 51.41 C ATOM 627 C GLU A 46 8.990 4.264 9.113 1.00 44.32 C ATOM 628 O GLU A 46 10.022 4.007 8.506 1.00 65.32 O ATOM 629 CB GLU A 46 8.672 5.802 11.064 1.00 54.11 C ATOM 630 CG GLU A 46 9.348 7.102 11.491 1.00 74.01 C ATOM 631 CD GLU A 46 10.772 6.884 11.980 1.00 62.00 C ATOM 632 OE1 GLU A 46 11.514 6.031 11.448 1.00 33.33 O ATOM 633 OE2 GLU A 46 11.167 7.620 12.907 1.00 1.34 O ATOM 0 H GLU A 46 6.816 6.505 9.764 1.00 72.04 H new ATOM 0 HA GLU A 46 9.500 6.310 9.125 1.00 51.41 H new ATOM 0 HB2 GLU A 46 7.642 5.781 11.420 1.00 54.11 H new ATOM 0 HB3 GLU A 46 9.182 4.950 11.512 1.00 54.11 H new ATOM 0 HG2 GLU A 46 9.358 7.796 10.650 1.00 74.01 H new ATOM 0 HG3 GLU A 46 8.763 7.569 12.283 1.00 74.01 H new ATOM 638 N GLY A 47 8.054 3.354 9.380 1.00 52.30 N ATOM 639 CA GLY A 47 8.174 1.968 8.972 1.00 21.25 C ATOM 640 C GLY A 47 8.603 1.837 7.501 1.00 53.21 C ATOM 641 O GLY A 47 9.479 1.046 7.156 1.00 71.10 O ATOM 0 H GLY A 47 7.193 3.564 9.886 1.00 52.30 H new ATOM 0 HA2 GLY A 47 8.902 1.464 9.608 1.00 21.25 H new ATOM 0 HA3 GLY A 47 7.219 1.463 9.118 1.00 21.25 H new ATOM 645 N ALA A 48 7.970 2.628 6.628 1.00 65.02 N ATOM 646 CA ALA A 48 8.265 2.655 5.210 1.00 72.03 C ATOM 647 C ALA A 48 9.599 3.349 4.911 1.00 62.12 C ATOM 648 O ALA A 48 10.298 2.893 4.011 1.00 32.32 O ATOM 649 CB ALA A 48 7.107 3.331 4.471 1.00 1.13 C ATOM 0 H ALA A 48 7.229 3.273 6.901 1.00 65.02 H new ATOM 0 HA ALA A 48 8.370 1.629 4.857 1.00 72.03 H new ATOM 0 HB1 ALA A 48 7.322 3.355 3.403 1.00 1.13 H new ATOM 0 HB2 ALA A 48 6.188 2.770 4.644 1.00 1.13 H new ATOM 0 HB3 ALA A 48 6.985 4.350 4.840 1.00 1.13 H new ATOM 655 N ARG A 49 9.979 4.416 5.632 1.00 52.32 N ATOM 656 CA ARG A 49 11.299 5.046 5.499 1.00 54.42 C ATOM 657 C ARG A 49 12.363 3.973 5.664 1.00 22.12 C ATOM 658 O ARG A 49 13.229 3.847 4.802 1.00 42.44 O ATOM 659 CB ARG A 49 11.505 6.191 6.523 1.00 13.55 C ATOM 660 CG ARG A 49 12.880 6.893 6.382 1.00 3.24 C ATOM 661 CD ARG A 49 13.264 7.806 7.568 1.00 13.21 C ATOM 662 NE ARG A 49 14.623 8.364 7.385 1.00 3.52 N ATOM 663 CZ ARG A 49 15.400 9.009 8.275 1.00 53.23 C ATOM 664 NH1 ARG A 49 14.985 9.284 9.505 1.00 52.23 N ATOM 665 NH2 ARG A 49 16.620 9.389 7.909 1.00 11.23 N ATOM 0 H ARG A 49 9.378 4.865 6.323 1.00 52.32 H new ATOM 0 HA ARG A 49 11.375 5.501 4.511 1.00 54.42 H new ATOM 0 HB2 ARG A 49 10.713 6.929 6.398 1.00 13.55 H new ATOM 0 HB3 ARG A 49 11.411 5.789 7.532 1.00 13.55 H new ATOM 0 HG2 ARG A 49 13.651 6.132 6.263 1.00 3.24 H new ATOM 0 HG3 ARG A 49 12.877 7.489 5.469 1.00 3.24 H new ATOM 0 HD2 ARG A 49 12.542 8.618 7.656 1.00 13.21 H new ATOM 0 HD3 ARG A 49 13.221 7.239 8.498 1.00 13.21 H new ATOM 0 HE ARG A 49 15.026 8.243 6.456 1.00 3.52 H new ATOM 0 HH11 ARG A 49 14.050 9.005 9.802 1.00 52.23 H new ATOM 0 HH12 ARG A 49 15.601 9.775 10.153 1.00 52.23 H new ATOM 0 HH21 ARG A 49 16.954 9.191 6.966 1.00 11.23 H new ATOM 0 HH22 ARG A 49 17.222 9.879 8.571 1.00 11.23 H new ATOM 676 N GLN A 50 12.303 3.221 6.764 1.00 71.03 N ATOM 677 CA GLN A 50 13.375 2.338 7.156 1.00 44.43 C ATOM 678 C GLN A 50 13.567 1.272 6.088 1.00 63.02 C ATOM 679 O GLN A 50 14.706 1.011 5.715 1.00 5.51 O ATOM 680 CB GLN A 50 13.096 1.705 8.529 1.00 51.44 C ATOM 681 CG GLN A 50 12.959 2.684 9.708 1.00 32.33 C ATOM 682 CD GLN A 50 14.119 3.662 9.863 1.00 62.34 C ATOM 683 OE1 GLN A 50 15.260 3.371 9.520 1.00 65.13 O ATOM 684 NE2 GLN A 50 13.856 4.865 10.339 1.00 30.41 N ATOM 0 H GLN A 50 11.506 3.215 7.400 1.00 71.03 H new ATOM 0 HA GLN A 50 14.295 2.915 7.249 1.00 44.43 H new ATOM 0 HB2 GLN A 50 12.178 1.122 8.458 1.00 51.44 H new ATOM 0 HB3 GLN A 50 13.901 1.006 8.755 1.00 51.44 H new ATOM 0 HG2 GLN A 50 12.037 3.252 9.586 1.00 32.33 H new ATOM 0 HG3 GLN A 50 12.860 2.110 10.629 1.00 32.33 H new ATOM 0 HE21 GLN A 50 12.906 5.104 10.624 1.00 30.41 H new ATOM 0 HE22 GLN A 50 14.603 5.555 10.422 1.00 30.41 H new ATOM 691 N ARG A 51 12.496 0.640 5.586 1.00 10.33 N ATOM 692 CA ARG A 51 12.679 -0.504 4.697 1.00 61.32 C ATOM 693 C ARG A 51 12.942 -0.105 3.240 1.00 5.55 C ATOM 694 O ARG A 51 13.523 -0.889 2.491 1.00 11.13 O ATOM 695 CB ARG A 51 11.490 -1.472 4.859 1.00 71.20 C ATOM 696 CG ARG A 51 11.795 -2.927 4.469 1.00 1.11 C ATOM 697 CD ARG A 51 12.915 -3.518 5.339 1.00 1.11 C ATOM 698 NE ARG A 51 12.964 -4.985 5.251 1.00 14.35 N ATOM 699 CZ ARG A 51 12.444 -5.848 6.130 1.00 5.11 C ATOM 700 NH1 ARG A 51 11.697 -5.407 7.137 1.00 30.05 N ATOM 701 NH2 ARG A 51 12.687 -7.148 6.019 1.00 21.45 N ATOM 0 H ARG A 51 11.526 0.894 5.775 1.00 10.33 H new ATOM 0 HA ARG A 51 13.589 -1.026 4.994 1.00 61.32 H new ATOM 0 HB2 ARG A 51 11.158 -1.449 5.897 1.00 71.20 H new ATOM 0 HB3 ARG A 51 10.660 -1.113 4.251 1.00 71.20 H new ATOM 0 HG2 ARG A 51 10.893 -3.530 4.575 1.00 1.11 H new ATOM 0 HG3 ARG A 51 12.086 -2.971 3.420 1.00 1.11 H new ATOM 0 HD2 ARG A 51 13.874 -3.104 5.027 1.00 1.11 H new ATOM 0 HD3 ARG A 51 12.763 -3.222 6.377 1.00 1.11 H new ATOM 0 HE ARG A 51 13.441 -5.383 4.442 1.00 14.35 H new ATOM 0 HH11 ARG A 51 11.519 -4.408 7.241 1.00 30.05 H new ATOM 0 HH12 ARG A 51 11.302 -6.068 7.806 1.00 30.05 H new ATOM 0 HH21 ARG A 51 13.274 -7.494 5.260 1.00 21.45 H new ATOM 0 HH22 ARG A 51 12.287 -7.801 6.693 1.00 21.45 H new ATOM 712 N LEU A 52 12.533 1.105 2.843 1.00 30.02 N ATOM 713 CA LEU A 52 12.662 1.637 1.486 1.00 12.22 C ATOM 714 C LEU A 52 14.115 1.874 1.108 1.00 32.25 C ATOM 715 O LEU A 52 14.603 1.299 0.139 1.00 12.03 O ATOM 716 CB LEU A 52 11.906 2.971 1.430 1.00 74.52 C ATOM 717 CG LEU A 52 12.160 3.917 0.231 1.00 61.32 C ATOM 718 CD1 LEU A 52 12.287 3.258 -1.147 1.00 3.01 C ATOM 719 CD2 LEU A 52 11.029 4.944 0.214 1.00 31.21 C ATOM 0 H LEU A 52 12.087 1.763 3.483 1.00 30.02 H new ATOM 0 HA LEU A 52 12.251 0.912 0.783 1.00 12.22 H new ATOM 0 HB2 LEU A 52 10.839 2.748 1.456 1.00 74.52 H new ATOM 0 HB3 LEU A 52 12.139 3.522 2.341 1.00 74.52 H new ATOM 0 HG LEU A 52 13.143 4.358 0.393 1.00 61.32 H new ATOM 0 HD11 LEU A 52 12.463 4.024 -1.902 1.00 3.01 H new ATOM 0 HD12 LEU A 52 13.122 2.557 -1.140 1.00 3.01 H new ATOM 0 HD13 LEU A 52 11.366 2.723 -1.381 1.00 3.01 H new ATOM 0 HD21 LEU A 52 11.174 5.631 -0.620 1.00 31.21 H new ATOM 0 HD22 LEU A 52 10.074 4.431 0.101 1.00 31.21 H new ATOM 0 HD23 LEU A 52 11.032 5.504 1.149 1.00 31.21 H new ATOM 730 N GLU A 53 14.780 2.797 1.811 1.00 2.31 N ATOM 731 CA GLU A 53 15.956 3.499 1.278 1.00 41.30 C ATOM 732 C GLU A 53 17.131 2.543 1.025 1.00 64.53 C ATOM 733 O GLU A 53 18.059 2.859 0.275 1.00 25.12 O ATOM 734 CB GLU A 53 16.346 4.688 2.199 1.00 33.32 C ATOM 735 CG GLU A 53 15.173 5.539 2.748 1.00 63.53 C ATOM 736 CD GLU A 53 15.386 7.057 2.758 1.00 4.24 C ATOM 737 OE1 GLU A 53 16.223 7.587 3.528 1.00 23.43 O ATOM 738 OE2 GLU A 53 14.647 7.760 2.027 1.00 53.41 O ATOM 0 H GLU A 53 14.523 3.078 2.757 1.00 2.31 H new ATOM 0 HA GLU A 53 15.690 3.911 0.305 1.00 41.30 H new ATOM 0 HB2 GLU A 53 16.910 4.296 3.045 1.00 33.32 H new ATOM 0 HB3 GLU A 53 17.017 5.345 1.645 1.00 33.32 H new ATOM 0 HG2 GLU A 53 14.285 5.321 2.155 1.00 63.53 H new ATOM 0 HG3 GLU A 53 14.963 5.216 3.767 1.00 63.53 H new ATOM 743 N ASN A 54 17.044 1.344 1.601 1.00 41.40 N ATOM 744 CA ASN A 54 18.072 0.332 1.719 1.00 25.23 C ATOM 745 C ASN A 54 17.446 -1.056 1.534 1.00 14.33 C ATOM 746 O ASN A 54 17.796 -2.004 2.240 1.00 5.01 O ATOM 747 CB ASN A 54 18.808 0.472 3.065 1.00 21.33 C ATOM 748 CG ASN A 54 17.867 0.471 4.264 1.00 51.11 C ATOM 749 OD1 ASN A 54 17.820 -0.478 5.039 1.00 33.24 O ATOM 750 ND2 ASN A 54 17.128 1.563 4.440 1.00 12.41 N ATOM 0 H ASN A 54 16.172 1.038 2.032 1.00 41.40 H new ATOM 0 HA ASN A 54 18.819 0.466 0.936 1.00 25.23 H new ATOM 0 HB2 ASN A 54 19.521 -0.346 3.169 1.00 21.33 H new ATOM 0 HB3 ASN A 54 19.383 1.398 3.063 1.00 21.33 H new ATOM 0 HD21 ASN A 54 16.498 1.629 5.239 1.00 12.41 H new ATOM 0 HD22 ASN A 54 17.192 2.334 3.776 1.00 12.41 H new ATOM 756 N ILE A 55 16.476 -1.164 0.618 1.00 42.00 N ATOM 757 CA ILE A 55 15.785 -2.418 0.334 1.00 5.05 C ATOM 758 C ILE A 55 16.775 -3.475 -0.155 1.00 65.13 C ATOM 759 O ILE A 55 17.858 -3.145 -0.655 1.00 30.45 O ATOM 760 CB ILE A 55 14.642 -2.185 -0.677 1.00 41.04 C ATOM 761 CG1 ILE A 55 13.513 -3.238 -0.572 1.00 3.14 C ATOM 762 CG2 ILE A 55 15.145 -2.127 -2.133 1.00 52.00 C ATOM 763 CD1 ILE A 55 12.152 -2.548 -0.680 1.00 1.31 C ATOM 0 H ILE A 55 16.151 -0.379 0.054 1.00 42.00 H new ATOM 0 HA ILE A 55 15.336 -2.793 1.254 1.00 5.05 H new ATOM 0 HB ILE A 55 14.229 -1.213 -0.406 1.00 41.04 H new ATOM 0 HG12 ILE A 55 13.619 -3.979 -1.364 1.00 3.14 H new ATOM 0 HG13 ILE A 55 13.587 -3.771 0.376 1.00 3.14 H new ATOM 0 HG21 ILE A 55 14.301 -1.961 -2.803 1.00 52.00 H new ATOM 0 HG22 ILE A 55 15.859 -1.310 -2.239 1.00 52.00 H new ATOM 0 HG23 ILE A 55 15.631 -3.069 -2.388 1.00 52.00 H new ATOM 0 HD11 ILE A 55 11.360 -3.293 -0.606 1.00 1.31 H new ATOM 0 HD12 ILE A 55 12.046 -1.824 0.128 1.00 1.31 H new ATOM 0 HD13 ILE A 55 12.079 -2.035 -1.639 1.00 1.31 H new ATOM 774 N GLN A 56 16.370 -4.742 -0.098 1.00 5.35 N ATOM 775 CA GLN A 56 17.163 -5.852 -0.591 1.00 44.10 C ATOM 776 C GLN A 56 16.378 -6.635 -1.635 1.00 53.04 C ATOM 777 O GLN A 56 15.150 -6.700 -1.570 1.00 51.12 O ATOM 778 CB GLN A 56 17.552 -6.779 0.564 1.00 71.13 C ATOM 779 CG GLN A 56 18.179 -6.037 1.745 1.00 53.44 C ATOM 780 CD GLN A 56 19.451 -5.297 1.329 1.00 5.21 C ATOM 781 OE1 GLN A 56 20.263 -5.847 0.592 1.00 22.54 O ATOM 782 NE2 GLN A 56 19.662 -4.058 1.733 1.00 61.51 N ATOM 0 H GLN A 56 15.473 -5.023 0.297 1.00 5.35 H new ATOM 0 HA GLN A 56 18.069 -5.455 -1.049 1.00 44.10 H new ATOM 0 HB2 GLN A 56 16.666 -7.313 0.907 1.00 71.13 H new ATOM 0 HB3 GLN A 56 18.254 -7.528 0.199 1.00 71.13 H new ATOM 0 HG2 GLN A 56 17.460 -5.326 2.153 1.00 53.44 H new ATOM 0 HG3 GLN A 56 18.412 -6.746 2.539 1.00 53.44 H new ATOM 0 HE21 GLN A 56 18.988 -3.600 2.346 1.00 61.51 H new ATOM 0 HE22 GLN A 56 20.499 -3.559 1.432 1.00 61.51 H new ATOM 789 N PRO A 57 17.077 -7.345 -2.526 1.00 54.42 N ATOM 790 CA PRO A 57 16.457 -8.212 -3.510 1.00 41.24 C ATOM 791 C PRO A 57 15.804 -9.403 -2.808 1.00 14.41 C ATOM 792 O PRO A 57 14.738 -9.857 -3.220 1.00 4.15 O ATOM 793 CB PRO A 57 17.590 -8.613 -4.458 1.00 25.45 C ATOM 794 CG PRO A 57 18.871 -8.452 -3.633 1.00 74.10 C ATOM 795 CD PRO A 57 18.522 -7.428 -2.562 1.00 43.44 C ATOM 0 HA PRO A 57 15.655 -7.732 -4.071 1.00 41.24 H new ATOM 0 HB2 PRO A 57 17.470 -9.639 -4.805 1.00 25.45 H new ATOM 0 HB3 PRO A 57 17.608 -7.977 -5.343 1.00 25.45 H new ATOM 0 HG2 PRO A 57 19.176 -9.399 -3.189 1.00 74.10 H new ATOM 0 HG3 PRO A 57 19.699 -8.109 -4.253 1.00 74.10 H new ATOM 0 HD2 PRO A 57 18.917 -7.731 -1.592 1.00 43.44 H new ATOM 0 HD3 PRO A 57 18.960 -6.458 -2.796 1.00 43.44 H new ATOM 800 N ALA A 58 16.367 -9.857 -1.682 1.00 24.11 N ATOM 801 CA ALA A 58 15.768 -10.929 -0.899 1.00 15.33 C ATOM 802 C ALA A 58 14.506 -10.456 -0.169 1.00 53.22 C ATOM 803 O ALA A 58 13.734 -11.284 0.309 1.00 60.51 O ATOM 804 CB ALA A 58 16.793 -11.455 0.103 1.00 72.10 C ATOM 0 H ALA A 58 17.239 -9.493 -1.297 1.00 24.11 H new ATOM 0 HA ALA A 58 15.472 -11.728 -1.578 1.00 15.33 H new ATOM 0 HB1 ALA A 58 16.348 -12.258 0.691 1.00 72.10 H new ATOM 0 HB2 ALA A 58 17.663 -11.836 -0.432 1.00 72.10 H new ATOM 0 HB3 ALA A 58 17.101 -10.647 0.767 1.00 72.10 H new ATOM 810 N ASP A 59 14.284 -9.141 -0.065 1.00 61.31 N ATOM 811 CA ASP A 59 13.056 -8.577 0.481 1.00 25.52 C ATOM 812 C ASP A 59 11.967 -8.516 -0.589 1.00 21.43 C ATOM 813 O ASP A 59 10.784 -8.500 -0.266 1.00 10.24 O ATOM 814 CB ASP A 59 13.338 -7.175 1.030 1.00 12.35 C ATOM 815 CG ASP A 59 12.373 -6.762 2.143 1.00 33.25 C ATOM 816 OD1 ASP A 59 12.043 -7.610 3.005 1.00 54.32 O ATOM 817 OD2 ASP A 59 12.146 -5.545 2.284 1.00 34.44 O ATOM 0 H ASP A 59 14.960 -8.437 -0.361 1.00 61.31 H new ATOM 0 HA ASP A 59 12.702 -9.218 1.289 1.00 25.52 H new ATOM 0 HB2 ASP A 59 14.359 -7.139 1.410 1.00 12.35 H new ATOM 0 HB3 ASP A 59 13.275 -6.453 0.216 1.00 12.35 H new ATOM 821 N VAL A 60 12.332 -8.470 -1.873 1.00 74.34 N ATOM 822 CA VAL A 60 11.377 -8.477 -2.980 1.00 33.31 C ATOM 823 C VAL A 60 10.998 -9.926 -3.251 1.00 70.52 C ATOM 824 O VAL A 60 9.827 -10.302 -3.141 1.00 43.30 O ATOM 825 CB VAL A 60 11.968 -7.737 -4.197 1.00 12.34 C ATOM 826 CG1 VAL A 60 11.037 -7.786 -5.420 1.00 10.41 C ATOM 827 CG2 VAL A 60 12.211 -6.279 -3.769 1.00 65.44 C ATOM 0 H VAL A 60 13.306 -8.427 -2.174 1.00 74.34 H new ATOM 0 HA VAL A 60 10.463 -7.935 -2.736 1.00 33.31 H new ATOM 0 HB VAL A 60 12.895 -8.223 -4.501 1.00 12.34 H new ATOM 0 HG11 VAL A 60 11.498 -7.251 -6.250 1.00 10.41 H new ATOM 0 HG12 VAL A 60 10.867 -8.824 -5.707 1.00 10.41 H new ATOM 0 HG13 VAL A 60 10.085 -7.318 -5.171 1.00 10.41 H new ATOM 0 HG21 VAL A 60 12.630 -5.719 -4.605 1.00 65.44 H new ATOM 0 HG22 VAL A 60 11.267 -5.826 -3.467 1.00 65.44 H new ATOM 0 HG23 VAL A 60 12.908 -6.257 -2.932 1.00 65.44 H new ATOM 837 N SER A 61 11.993 -10.780 -3.485 1.00 73.40 N ATOM 838 CA SER A 61 11.813 -12.191 -3.768 1.00 73.22 C ATOM 839 C SER A 61 11.356 -13.018 -2.553 1.00 64.22 C ATOM 840 O SER A 61 11.519 -14.238 -2.562 1.00 0.12 O ATOM 841 CB SER A 61 13.108 -12.747 -4.344 1.00 24.13 C ATOM 842 OG SER A 61 13.643 -11.946 -5.392 1.00 11.31 O ATOM 0 H SER A 61 12.972 -10.495 -3.481 1.00 73.40 H new ATOM 0 HA SER A 61 11.003 -12.275 -4.492 1.00 73.22 H new ATOM 0 HB2 SER A 61 13.846 -12.832 -3.547 1.00 24.13 H new ATOM 0 HB3 SER A 61 12.928 -13.754 -4.720 1.00 24.13 H new ATOM 0 HG SER A 61 14.095 -11.165 -5.009 1.00 11.31 H new ATOM 847 N MET A 62 10.777 -12.400 -1.520 1.00 21.25 N ATOM 848 CA MET A 62 10.021 -13.055 -0.472 1.00 15.44 C ATOM 849 C MET A 62 8.532 -12.764 -0.614 1.00 14.14 C ATOM 850 O MET A 62 7.740 -13.648 -0.317 1.00 61.21 O ATOM 851 CB MET A 62 10.567 -12.730 0.916 1.00 60.44 C ATOM 852 CG MET A 62 10.346 -11.307 1.420 1.00 31.22 C ATOM 853 SD MET A 62 10.981 -11.041 3.096 1.00 54.14 S ATOM 854 CE MET A 62 9.845 -12.096 4.032 1.00 44.30 C ATOM 0 H MET A 62 10.830 -11.389 -1.394 1.00 21.25 H new ATOM 0 HA MET A 62 10.144 -14.132 -0.589 1.00 15.44 H new ATOM 0 HB2 MET A 62 10.115 -13.419 1.630 1.00 60.44 H new ATOM 0 HB3 MET A 62 11.639 -12.929 0.916 1.00 60.44 H new ATOM 0 HG2 MET A 62 10.830 -10.607 0.739 1.00 31.22 H new ATOM 0 HG3 MET A 62 9.279 -11.083 1.402 1.00 31.22 H new ATOM 0 HE1 MET A 62 9.847 -11.794 5.079 1.00 44.30 H new ATOM 0 HE2 MET A 62 8.838 -11.995 3.627 1.00 44.30 H new ATOM 0 HE3 MET A 62 10.165 -13.135 3.954 1.00 44.30 H new ATOM 862 N ILE A 63 8.130 -11.593 -1.115 1.00 43.43 N ATOM 863 CA ILE A 63 6.733 -11.169 -1.172 1.00 31.25 C ATOM 864 C ILE A 63 5.953 -12.114 -2.089 1.00 63.13 C ATOM 865 O ILE A 63 4.839 -12.532 -1.780 1.00 14.12 O ATOM 866 CB ILE A 63 6.670 -9.689 -1.633 1.00 25.32 C ATOM 867 CG1 ILE A 63 7.349 -8.746 -0.614 1.00 12.55 C ATOM 868 CG2 ILE A 63 5.222 -9.236 -1.874 1.00 34.22 C ATOM 869 CD1 ILE A 63 7.723 -7.386 -1.218 1.00 2.14 C ATOM 0 H ILE A 63 8.778 -10.904 -1.498 1.00 43.43 H new ATOM 0 HA ILE A 63 6.267 -11.222 -0.188 1.00 31.25 H new ATOM 0 HB ILE A 63 7.215 -9.631 -2.575 1.00 25.32 H new ATOM 0 HG12 ILE A 63 6.680 -8.591 0.232 1.00 12.55 H new ATOM 0 HG13 ILE A 63 8.248 -9.225 -0.226 1.00 12.55 H new ATOM 0 HG21 ILE A 63 5.215 -8.195 -2.196 1.00 34.22 H new ATOM 0 HG22 ILE A 63 4.770 -9.858 -2.647 1.00 34.22 H new ATOM 0 HG23 ILE A 63 4.652 -9.334 -0.950 1.00 34.22 H new ATOM 0 HD11 ILE A 63 8.196 -6.767 -0.456 1.00 2.14 H new ATOM 0 HD12 ILE A 63 8.416 -7.534 -2.046 1.00 2.14 H new ATOM 0 HD13 ILE A 63 6.823 -6.890 -1.582 1.00 2.14 H new ATOM 880 N LYS A 64 6.579 -12.518 -3.194 1.00 24.15 N ATOM 881 CA LYS A 64 6.037 -13.472 -4.156 1.00 0.04 C ATOM 882 C LYS A 64 5.628 -14.784 -3.485 1.00 74.14 C ATOM 883 O LYS A 64 4.615 -15.377 -3.855 1.00 53.10 O ATOM 884 CB LYS A 64 7.093 -13.727 -5.236 1.00 31.41 C ATOM 885 CG LYS A 64 7.423 -12.483 -6.081 1.00 34.24 C ATOM 886 CD LYS A 64 8.812 -12.533 -6.734 1.00 74.50 C ATOM 887 CE LYS A 64 8.915 -13.423 -7.979 1.00 61.30 C ATOM 888 NZ LYS A 64 8.655 -14.856 -7.720 1.00 53.33 N ATOM 0 H LYS A 64 7.506 -12.179 -3.451 1.00 24.15 H new ATOM 0 HA LYS A 64 5.136 -13.051 -4.602 1.00 0.04 H new ATOM 0 HB2 LYS A 64 8.006 -14.087 -4.762 1.00 31.41 H new ATOM 0 HB3 LYS A 64 6.742 -14.521 -5.895 1.00 31.41 H new ATOM 0 HG2 LYS A 64 6.669 -12.373 -6.860 1.00 34.24 H new ATOM 0 HG3 LYS A 64 7.360 -11.597 -5.449 1.00 34.24 H new ATOM 0 HD2 LYS A 64 9.105 -11.519 -7.006 1.00 74.50 H new ATOM 0 HD3 LYS A 64 9.531 -12.885 -5.995 1.00 74.50 H new ATOM 0 HE2 LYS A 64 8.208 -13.066 -8.727 1.00 61.30 H new ATOM 0 HE3 LYS A 64 9.912 -13.317 -8.407 1.00 61.30 H new ATOM 0 HZ1 LYS A 64 9.173 -15.434 -8.412 1.00 53.33 H new ATOM 0 HZ2 LYS A 64 8.973 -15.098 -6.760 1.00 53.33 H new ATOM 0 HZ3 LYS A 64 7.636 -15.045 -7.806 1.00 53.33 H new ATOM 898 N LYS A 65 6.379 -15.232 -2.476 1.00 42.41 N ATOM 899 CA LYS A 65 6.114 -16.466 -1.748 1.00 31.22 C ATOM 900 C LYS A 65 4.940 -16.334 -0.785 1.00 72.44 C ATOM 901 O LYS A 65 4.457 -17.351 -0.295 1.00 21.31 O ATOM 902 CB LYS A 65 7.369 -16.901 -0.979 1.00 35.41 C ATOM 903 CG LYS A 65 8.457 -17.458 -1.906 1.00 52.30 C ATOM 904 CD LYS A 65 9.661 -16.518 -2.007 1.00 71.42 C ATOM 905 CE LYS A 65 10.738 -16.739 -0.928 1.00 64.12 C ATOM 906 NZ LYS A 65 10.260 -16.599 0.462 1.00 35.05 N ATOM 0 H LYS A 65 7.203 -14.734 -2.139 1.00 42.41 H new ATOM 0 HA LYS A 65 5.847 -17.223 -2.485 1.00 31.22 H new ATOM 0 HB2 LYS A 65 7.767 -16.050 -0.426 1.00 35.41 H new ATOM 0 HB3 LYS A 65 7.098 -17.659 -0.245 1.00 35.41 H new ATOM 0 HG2 LYS A 65 8.786 -18.429 -1.537 1.00 52.30 H new ATOM 0 HG3 LYS A 65 8.039 -17.620 -2.900 1.00 52.30 H new ATOM 0 HD2 LYS A 65 10.119 -16.639 -2.989 1.00 71.42 H new ATOM 0 HD3 LYS A 65 9.308 -15.489 -1.944 1.00 71.42 H new ATOM 0 HE2 LYS A 65 11.159 -17.737 -1.054 1.00 64.12 H new ATOM 0 HE3 LYS A 65 11.548 -16.028 -1.092 1.00 64.12 H new ATOM 0 HZ1 LYS A 65 11.072 -16.459 1.096 1.00 35.05 H new ATOM 0 HZ2 LYS A 65 9.623 -15.780 0.529 1.00 35.05 H new ATOM 0 HZ3 LYS A 65 9.747 -17.460 0.741 1.00 35.05 H new ATOM 916 N GLN A 66 4.468 -15.113 -0.534 1.00 51.10 N ATOM 917 CA GLN A 66 3.289 -14.842 0.254 1.00 71.21 C ATOM 918 C GLN A 66 2.191 -14.407 -0.717 1.00 53.32 C ATOM 919 O GLN A 66 1.520 -13.390 -0.532 1.00 55.23 O ATOM 920 CB GLN A 66 3.619 -13.818 1.348 1.00 42.50 C ATOM 921 CG GLN A 66 4.423 -14.416 2.516 1.00 12.34 C ATOM 922 CD GLN A 66 5.927 -14.467 2.270 1.00 74.31 C ATOM 923 OE1 GLN A 66 6.512 -15.517 1.997 1.00 34.42 O ATOM 924 NE2 GLN A 66 6.595 -13.330 2.370 1.00 31.11 N ATOM 0 H GLN A 66 4.916 -14.268 -0.888 1.00 51.10 H new ATOM 0 HA GLN A 66 2.929 -15.719 0.791 1.00 71.21 H new ATOM 0 HB2 GLN A 66 4.185 -12.997 0.909 1.00 42.50 H new ATOM 0 HB3 GLN A 66 2.691 -13.396 1.733 1.00 42.50 H new ATOM 0 HG2 GLN A 66 4.232 -13.829 3.414 1.00 12.34 H new ATOM 0 HG3 GLN A 66 4.063 -15.426 2.713 1.00 12.34 H new ATOM 0 HE21 GLN A 66 6.101 -12.467 2.596 1.00 31.11 H new ATOM 0 HE22 GLN A 66 7.604 -13.316 2.221 1.00 31.11 H new ATOM 931 N GLY A 67 1.978 -15.193 -1.770 1.00 54.40 N ATOM 932 CA GLY A 67 0.731 -15.185 -2.520 1.00 31.41 C ATOM 933 C GLY A 67 0.529 -13.963 -3.394 1.00 44.53 C ATOM 934 O GLY A 67 -0.604 -13.656 -3.761 1.00 40.53 O ATOM 0 H GLY A 67 2.669 -15.854 -2.125 1.00 54.40 H new ATOM 0 HA2 GLY A 67 0.694 -16.075 -3.148 1.00 31.41 H new ATOM 0 HA3 GLY A 67 -0.100 -15.255 -1.818 1.00 31.41 H new ATOM 938 N THR A 68 1.603 -13.238 -3.694 1.00 31.31 N ATOM 939 CA THR A 68 1.520 -11.932 -4.323 1.00 52.24 C ATOM 940 C THR A 68 2.015 -12.027 -5.773 1.00 61.30 C ATOM 941 O THR A 68 2.665 -13.009 -6.151 1.00 54.50 O ATOM 942 CB THR A 68 2.294 -10.953 -3.427 1.00 33.01 C ATOM 943 OG1 THR A 68 1.750 -11.000 -2.123 1.00 24.43 O ATOM 944 CG2 THR A 68 2.201 -9.491 -3.870 1.00 33.12 C ATOM 0 H THR A 68 2.557 -13.545 -3.505 1.00 31.31 H new ATOM 0 HA THR A 68 0.500 -11.558 -4.406 1.00 52.24 H new ATOM 0 HB THR A 68 3.337 -11.266 -3.482 1.00 33.01 H new ATOM 0 HG1 THR A 68 1.922 -11.881 -1.728 1.00 24.43 H new ATOM 0 HG21 THR A 68 2.774 -8.866 -3.185 1.00 33.12 H new ATOM 0 HG22 THR A 68 2.604 -9.390 -4.878 1.00 33.12 H new ATOM 0 HG23 THR A 68 1.158 -9.174 -3.863 1.00 33.12 H new ATOM 952 N THR A 69 1.718 -11.013 -6.580 1.00 4.22 N ATOM 953 CA THR A 69 2.183 -10.811 -7.945 1.00 72.23 C ATOM 954 C THR A 69 2.614 -9.357 -8.102 1.00 1.25 C ATOM 955 O THR A 69 2.355 -8.547 -7.210 1.00 74.30 O ATOM 956 CB THR A 69 1.086 -11.207 -8.949 1.00 73.23 C ATOM 957 OG1 THR A 69 -0.200 -10.723 -8.591 1.00 61.41 O ATOM 958 CG2 THR A 69 1.028 -12.725 -9.069 1.00 0.13 C ATOM 0 H THR A 69 1.103 -10.259 -6.274 1.00 4.22 H new ATOM 0 HA THR A 69 3.041 -11.450 -8.153 1.00 72.23 H new ATOM 0 HB THR A 69 1.352 -10.748 -9.901 1.00 73.23 H new ATOM 0 HG1 THR A 69 -0.854 -11.003 -9.265 1.00 61.41 H new ATOM 0 HG21 THR A 69 0.251 -13.004 -9.780 1.00 0.13 H new ATOM 0 HG22 THR A 69 1.990 -13.099 -9.418 1.00 0.13 H new ATOM 0 HG23 THR A 69 0.801 -13.159 -8.095 1.00 0.13 H new ATOM 966 N LEU A 70 3.230 -9.031 -9.237 1.00 30.11 N ATOM 967 CA LEU A 70 3.629 -7.685 -9.613 1.00 31.13 C ATOM 968 C LEU A 70 2.457 -6.762 -9.470 1.00 53.41 C ATOM 969 O LEU A 70 2.565 -5.661 -8.952 1.00 31.15 O ATOM 970 CB LEU A 70 4.023 -7.653 -11.088 1.00 4.14 C ATOM 971 CG LEU A 70 4.854 -6.427 -11.481 1.00 42.31 C ATOM 972 CD1 LEU A 70 4.487 -5.915 -12.859 1.00 73.41 C ATOM 973 CD2 LEU A 70 5.210 -5.316 -10.484 1.00 41.40 C ATOM 0 H LEU A 70 3.472 -9.726 -9.943 1.00 30.11 H new ATOM 0 HA LEU A 70 4.461 -7.384 -8.976 1.00 31.13 H new ATOM 0 HB2 LEU A 70 4.589 -8.554 -11.323 1.00 4.14 H new ATOM 0 HB3 LEU A 70 3.119 -7.677 -11.696 1.00 4.14 H new ATOM 0 HG LEU A 70 5.839 -6.894 -11.475 1.00 42.31 H new ATOM 0 HD11 LEU A 70 5.099 -5.046 -13.099 1.00 73.41 H new ATOM 0 HD12 LEU A 70 4.663 -6.698 -13.597 1.00 73.41 H new ATOM 0 HD13 LEU A 70 3.434 -5.633 -12.874 1.00 73.41 H new ATOM 0 HD21 LEU A 70 5.803 -4.552 -10.987 1.00 41.40 H new ATOM 0 HD22 LEU A 70 4.295 -4.868 -10.097 1.00 41.40 H new ATOM 0 HD23 LEU A 70 5.785 -5.738 -9.659 1.00 41.40 H new ATOM 984 N GLU A 71 1.324 -7.258 -9.951 1.00 71.24 N ATOM 985 CA GLU A 71 0.200 -6.408 -10.257 1.00 25.35 C ATOM 986 C GLU A 71 -0.342 -5.693 -8.993 1.00 73.24 C ATOM 987 O GLU A 71 -1.108 -4.733 -9.062 1.00 63.31 O ATOM 988 CB GLU A 71 -0.946 -7.332 -10.761 1.00 52.42 C ATOM 989 CG GLU A 71 -1.282 -7.254 -12.256 1.00 70.43 C ATOM 990 CD GLU A 71 -2.642 -6.567 -12.504 1.00 12.41 C ATOM 991 OE1 GLU A 71 -3.699 -7.094 -12.084 1.00 5.51 O ATOM 992 OE2 GLU A 71 -2.660 -5.456 -13.089 1.00 45.23 O ATOM 0 H GLU A 71 1.167 -8.249 -10.135 1.00 71.24 H new ATOM 0 HA GLU A 71 0.517 -5.661 -10.985 1.00 25.35 H new ATOM 0 HB2 GLU A 71 -0.682 -8.363 -10.524 1.00 52.42 H new ATOM 0 HB3 GLU A 71 -1.848 -7.096 -10.196 1.00 52.42 H new ATOM 0 HG2 GLU A 71 -0.497 -6.705 -12.776 1.00 70.43 H new ATOM 0 HG3 GLU A 71 -1.301 -8.259 -12.677 1.00 70.43 H new ATOM 997 N MET A 72 -0.073 -6.288 -7.833 1.00 73.33 N ATOM 998 CA MET A 72 -0.364 -5.799 -6.491 1.00 1.35 C ATOM 999 C MET A 72 0.530 -4.594 -6.152 1.00 2.24 C ATOM 1000 O MET A 72 0.125 -3.616 -5.521 1.00 53.22 O ATOM 1001 CB MET A 72 -0.133 -6.948 -5.487 1.00 21.24 C ATOM 1002 CG MET A 72 -1.377 -7.335 -4.676 1.00 21.31 C ATOM 1003 SD MET A 72 -2.715 -8.179 -5.579 1.00 13.52 S ATOM 1004 CE MET A 72 -1.905 -9.770 -5.886 1.00 52.43 C ATOM 0 H MET A 72 0.391 -7.196 -7.807 1.00 73.33 H new ATOM 0 HA MET A 72 -1.401 -5.468 -6.436 1.00 1.35 H new ATOM 0 HB2 MET A 72 0.220 -7.825 -6.030 1.00 21.24 H new ATOM 0 HB3 MET A 72 0.661 -6.659 -4.798 1.00 21.24 H new ATOM 0 HG2 MET A 72 -1.061 -7.980 -3.856 1.00 21.31 H new ATOM 0 HG3 MET A 72 -1.787 -6.429 -4.229 1.00 21.31 H new ATOM 0 HE1 MET A 72 -2.601 -10.442 -6.388 1.00 52.43 H new ATOM 0 HE2 MET A 72 -1.030 -9.617 -6.517 1.00 52.43 H new ATOM 0 HE3 MET A 72 -1.596 -10.210 -4.938 1.00 52.43 H new ATOM 1012 N ILE A 73 1.795 -4.665 -6.549 1.00 71.02 N ATOM 1013 CA ILE A 73 2.825 -3.698 -6.227 1.00 61.44 C ATOM 1014 C ILE A 73 2.669 -2.440 -7.098 1.00 44.10 C ATOM 1015 O ILE A 73 3.005 -1.348 -6.638 1.00 62.04 O ATOM 1016 CB ILE A 73 4.211 -4.382 -6.347 1.00 74.53 C ATOM 1017 CG1 ILE A 73 4.291 -5.705 -5.538 1.00 32.15 C ATOM 1018 CG2 ILE A 73 5.376 -3.465 -5.949 1.00 2.41 C ATOM 1019 CD1 ILE A 73 3.830 -5.619 -4.070 1.00 64.20 C ATOM 0 H ILE A 73 2.140 -5.431 -7.127 1.00 71.02 H new ATOM 0 HA ILE A 73 2.728 -3.353 -5.198 1.00 61.44 H new ATOM 0 HB ILE A 73 4.314 -4.613 -7.407 1.00 74.53 H new ATOM 0 HG12 ILE A 73 3.687 -6.457 -6.046 1.00 32.15 H new ATOM 0 HG13 ILE A 73 5.322 -6.059 -5.556 1.00 32.15 H new ATOM 0 HG21 ILE A 73 6.317 -4.005 -6.056 1.00 2.41 H new ATOM 0 HG22 ILE A 73 5.386 -2.588 -6.596 1.00 2.41 H new ATOM 0 HG23 ILE A 73 5.254 -3.150 -4.913 1.00 2.41 H new ATOM 0 HD11 ILE A 73 3.928 -6.598 -3.600 1.00 64.20 H new ATOM 0 HD12 ILE A 73 4.448 -4.897 -3.536 1.00 64.20 H new ATOM 0 HD13 ILE A 73 2.788 -5.302 -4.034 1.00 64.20 H new ATOM 1030 N THR A 74 2.067 -2.539 -8.277 1.00 53.42 N ATOM 1031 CA THR A 74 1.660 -1.390 -9.075 1.00 73.54 C ATOM 1032 C THR A 74 0.488 -0.636 -8.425 1.00 54.40 C ATOM 1033 O THR A 74 0.546 0.588 -8.292 1.00 23.33 O ATOM 1034 CB THR A 74 1.362 -1.890 -10.504 1.00 30.21 C ATOM 1035 OG1 THR A 74 0.872 -3.216 -10.503 1.00 32.15 O ATOM 1036 CG2 THR A 74 2.649 -1.897 -11.323 1.00 43.42 C ATOM 0 H THR A 74 1.845 -3.434 -8.712 1.00 53.42 H new ATOM 0 HA THR A 74 2.461 -0.653 -9.128 1.00 73.54 H new ATOM 0 HB THR A 74 0.614 -1.219 -10.927 1.00 30.21 H new ATOM 0 HG1 THR A 74 0.139 -3.293 -9.857 1.00 32.15 H new ATOM 0 HG21 THR A 74 2.436 -2.250 -12.332 1.00 43.42 H new ATOM 0 HG22 THR A 74 3.055 -0.887 -11.371 1.00 43.42 H new ATOM 0 HG23 THR A 74 3.376 -2.559 -10.852 1.00 43.42 H new ATOM 1044 N ALA A 75 -0.566 -1.311 -7.952 1.00 45.32 N ATOM 1045 CA ALA A 75 -1.793 -0.587 -7.613 1.00 24.22 C ATOM 1046 C ALA A 75 -1.644 0.280 -6.355 1.00 54.23 C ATOM 1047 O ALA A 75 -2.022 1.451 -6.377 1.00 24.13 O ATOM 1048 CB ALA A 75 -2.968 -1.548 -7.487 1.00 4.15 C ATOM 0 H ALA A 75 -0.596 -2.319 -7.800 1.00 45.32 H new ATOM 0 HA ALA A 75 -1.993 0.100 -8.435 1.00 24.22 H new ATOM 0 HB1 ALA A 75 -3.869 -0.989 -7.235 1.00 4.15 H new ATOM 0 HB2 ALA A 75 -3.116 -2.068 -8.434 1.00 4.15 H new ATOM 0 HB3 ALA A 75 -2.760 -2.276 -6.702 1.00 4.15 H new ATOM 1054 N TRP A 76 -1.069 -0.254 -5.272 1.00 12.15 N ATOM 1055 CA TRP A 76 -0.790 0.523 -4.058 1.00 24.04 C ATOM 1056 C TRP A 76 0.480 1.359 -4.210 1.00 1.41 C ATOM 1057 O TRP A 76 0.892 2.005 -3.247 1.00 61.21 O ATOM 1058 CB TRP A 76 -0.692 -0.323 -2.771 1.00 43.21 C ATOM 1059 CG TRP A 76 -1.824 -1.230 -2.445 1.00 43.22 C ATOM 1060 CD1 TRP A 76 -1.973 -2.513 -2.843 1.00 61.33 C ATOM 1061 CD2 TRP A 76 -2.947 -0.932 -1.573 1.00 61.24 C ATOM 1062 NE1 TRP A 76 -3.169 -2.992 -2.337 1.00 22.23 N ATOM 1063 CE2 TRP A 76 -3.793 -2.073 -1.518 1.00 25.33 C ATOM 1064 CE3 TRP A 76 -3.342 0.214 -0.853 1.00 62.20 C ATOM 1065 CZ2 TRP A 76 -4.993 -2.064 -0.792 1.00 64.12 C ATOM 1066 CZ3 TRP A 76 -4.521 0.219 -0.087 1.00 63.41 C ATOM 1067 CH2 TRP A 76 -5.347 -0.921 -0.060 1.00 21.04 C ATOM 0 H TRP A 76 -0.785 -1.232 -5.211 1.00 12.15 H new ATOM 0 HA TRP A 76 -1.656 1.175 -3.944 1.00 24.04 H new ATOM 0 HB2 TRP A 76 0.212 -0.928 -2.837 1.00 43.21 H new ATOM 0 HB3 TRP A 76 -0.559 0.360 -1.932 1.00 43.21 H new ATOM 0 HD1 TRP A 76 -1.277 -3.070 -3.453 1.00 61.33 H new ATOM 0 HE1 TRP A 76 -3.545 -3.917 -2.545 1.00 22.23 H new ATOM 0 HE3 TRP A 76 -2.729 1.102 -0.890 1.00 62.20 H new ATOM 0 HZ2 TRP A 76 -5.639 -2.930 -0.797 1.00 64.12 H new ATOM 0 HZ3 TRP A 76 -4.793 1.097 0.480 1.00 63.41 H new ATOM 0 HH2 TRP A 76 -6.255 -0.915 0.525 1.00 21.04 H new ATOM 1077 N GLN A 77 1.139 1.365 -5.368 1.00 51.22 N ATOM 1078 CA GLN A 77 1.977 2.492 -5.699 1.00 63.43 C ATOM 1079 C GLN A 77 1.041 3.610 -6.116 1.00 11.15 C ATOM 1080 O GLN A 77 0.924 4.608 -5.400 1.00 70.43 O ATOM 1081 CB GLN A 77 2.993 2.129 -6.782 1.00 41.12 C ATOM 1082 CG GLN A 77 3.697 3.383 -7.299 1.00 13.15 C ATOM 1083 CD GLN A 77 5.073 3.047 -7.799 1.00 5.41 C ATOM 1084 OE1 GLN A 77 5.340 2.846 -8.974 1.00 24.52 O ATOM 1085 NE2 GLN A 77 5.993 2.947 -6.869 1.00 61.23 N ATOM 0 H GLN A 77 1.106 0.622 -6.066 1.00 51.22 H new ATOM 0 HA GLN A 77 2.579 2.810 -4.848 1.00 63.43 H new ATOM 0 HB2 GLN A 77 3.728 1.432 -6.380 1.00 41.12 H new ATOM 0 HB3 GLN A 77 2.490 1.622 -7.605 1.00 41.12 H new ATOM 0 HG2 GLN A 77 3.111 3.831 -8.102 1.00 13.15 H new ATOM 0 HG3 GLN A 77 3.764 4.124 -6.502 1.00 13.15 H new ATOM 0 HE21 GLN A 77 5.752 3.118 -5.893 1.00 61.23 H new ATOM 0 HE22 GLN A 77 6.949 2.698 -7.122 1.00 61.23 H new ATOM 1092 N ASP A 78 0.397 3.421 -7.266 1.00 53.43 N ATOM 1093 CA ASP A 78 -0.194 4.519 -8.030 1.00 54.43 C ATOM 1094 C ASP A 78 -1.271 5.227 -7.213 1.00 23.15 C ATOM 1095 O ASP A 78 -1.335 6.456 -7.190 1.00 13.21 O ATOM 1096 CB ASP A 78 -0.778 4.021 -9.362 1.00 12.14 C ATOM 1097 CG ASP A 78 -0.627 5.130 -10.414 1.00 65.32 C ATOM 1098 OD1 ASP A 78 -1.509 6.005 -10.557 1.00 53.44 O ATOM 1099 OD2 ASP A 78 0.464 5.245 -11.015 1.00 10.32 O ATOM 0 H ASP A 78 0.270 2.504 -7.694 1.00 53.43 H new ATOM 0 HA ASP A 78 0.601 5.231 -8.253 1.00 54.43 H new ATOM 0 HB2 ASP A 78 -0.260 3.119 -9.687 1.00 12.14 H new ATOM 0 HB3 ASP A 78 -1.829 3.758 -9.239 1.00 12.14 H new ATOM 1103 N PHE A 79 -2.042 4.443 -6.449 1.00 2.25 N ATOM 1104 CA PHE A 79 -3.062 4.916 -5.530 1.00 2.52 C ATOM 1105 C PHE A 79 -2.541 6.061 -4.657 1.00 23.24 C ATOM 1106 O PHE A 79 -3.163 7.124 -4.612 1.00 72.40 O ATOM 1107 CB PHE A 79 -3.553 3.733 -4.687 1.00 42.40 C ATOM 1108 CG PHE A 79 -4.558 4.101 -3.617 1.00 10.32 C ATOM 1109 CD1 PHE A 79 -5.821 4.596 -3.986 1.00 50.11 C ATOM 1110 CD2 PHE A 79 -4.241 3.938 -2.255 1.00 61.22 C ATOM 1111 CE1 PHE A 79 -6.765 4.929 -3.004 1.00 3.24 C ATOM 1112 CE2 PHE A 79 -5.188 4.269 -1.271 1.00 23.43 C ATOM 1113 CZ PHE A 79 -6.445 4.770 -1.646 1.00 41.11 C ATOM 0 H PHE A 79 -1.963 3.426 -6.461 1.00 2.25 H new ATOM 0 HA PHE A 79 -3.901 5.322 -6.096 1.00 2.52 H new ATOM 0 HB2 PHE A 79 -4.001 2.992 -5.349 1.00 42.40 H new ATOM 0 HB3 PHE A 79 -2.693 3.259 -4.213 1.00 42.40 H new ATOM 0 HD1 PHE A 79 -6.065 4.720 -5.031 1.00 50.11 H new ATOM 0 HD2 PHE A 79 -3.272 3.559 -1.967 1.00 61.22 H new ATOM 0 HE1 PHE A 79 -7.735 5.307 -3.291 1.00 3.24 H new ATOM 0 HE2 PHE A 79 -4.949 4.138 -0.226 1.00 23.43 H new ATOM 0 HZ PHE A 79 -7.168 5.034 -0.888 1.00 41.11 H new ATOM 1122 N TYR A 80 -1.407 5.859 -3.979 1.00 65.41 N ATOM 1123 CA TYR A 80 -0.833 6.845 -3.072 1.00 43.34 C ATOM 1124 C TYR A 80 -0.016 7.906 -3.796 1.00 4.52 C ATOM 1125 O TYR A 80 0.041 9.041 -3.318 1.00 34.12 O ATOM 1126 CB TYR A 80 0.079 6.154 -2.066 1.00 73.44 C ATOM 1127 CG TYR A 80 -0.625 5.239 -1.095 1.00 73.00 C ATOM 1128 CD1 TYR A 80 -1.684 5.679 -0.287 1.00 50.53 C ATOM 1129 CD2 TYR A 80 -0.190 3.917 -0.996 1.00 23.13 C ATOM 1130 CE1 TYR A 80 -2.317 4.782 0.586 1.00 41.41 C ATOM 1131 CE2 TYR A 80 -0.814 3.002 -0.141 1.00 30.05 C ATOM 1132 CZ TYR A 80 -1.909 3.428 0.635 1.00 5.51 C ATOM 1133 OH TYR A 80 -2.517 2.557 1.478 1.00 73.01 O ATOM 0 H TYR A 80 -0.862 5.000 -4.048 1.00 65.41 H new ATOM 0 HA TYR A 80 -1.672 7.335 -2.577 1.00 43.34 H new ATOM 0 HB2 TYR A 80 0.826 5.576 -2.611 1.00 73.44 H new ATOM 0 HB3 TYR A 80 0.616 6.916 -1.501 1.00 73.44 H new ATOM 0 HD1 TYR A 80 -2.011 6.707 -0.337 1.00 50.53 H new ATOM 0 HD2 TYR A 80 0.649 3.592 -1.594 1.00 23.13 H new ATOM 0 HE1 TYR A 80 -3.119 5.126 1.223 1.00 41.41 H new ATOM 0 HE2 TYR A 80 -0.461 1.983 -0.077 1.00 30.05 H new ATOM 0 HH TYR A 80 -2.949 1.847 0.959 1.00 73.01 H new ATOM 1142 N GLU A 81 0.648 7.560 -4.901 1.00 74.00 N ATOM 1143 CA GLU A 81 1.308 8.530 -5.772 1.00 50.44 C ATOM 1144 C GLU A 81 0.354 9.668 -6.117 1.00 33.20 C ATOM 1145 O GLU A 81 0.710 10.832 -5.956 1.00 31.10 O ATOM 1146 CB GLU A 81 1.823 7.870 -7.056 1.00 2.42 C ATOM 1147 CG GLU A 81 3.029 6.955 -6.823 1.00 44.23 C ATOM 1148 CD GLU A 81 3.823 6.718 -8.119 1.00 5.43 C ATOM 1149 OE1 GLU A 81 3.260 6.236 -9.125 1.00 70.43 O ATOM 1150 OE2 GLU A 81 5.041 7.006 -8.139 1.00 41.13 O ATOM 0 H GLU A 81 0.742 6.595 -5.217 1.00 74.00 H new ATOM 0 HA GLU A 81 2.165 8.932 -5.231 1.00 50.44 H new ATOM 0 HB2 GLU A 81 1.017 7.291 -7.507 1.00 2.42 H new ATOM 0 HB3 GLU A 81 2.097 8.646 -7.771 1.00 2.42 H new ATOM 0 HG2 GLU A 81 3.683 7.399 -6.072 1.00 44.23 H new ATOM 0 HG3 GLU A 81 2.689 5.999 -6.425 1.00 44.23 H new ATOM 1155 N GLN A 82 -0.864 9.347 -6.550 1.00 74.02 N ATOM 1156 CA GLN A 82 -1.820 10.360 -6.975 1.00 12.32 C ATOM 1157 C GLN A 82 -2.327 11.253 -5.838 1.00 25.23 C ATOM 1158 O GLN A 82 -2.837 12.336 -6.118 1.00 24.10 O ATOM 1159 CB GLN A 82 -2.975 9.694 -7.734 1.00 24.11 C ATOM 1160 CG GLN A 82 -2.539 9.081 -9.078 1.00 25.24 C ATOM 1161 CD GLN A 82 -1.745 10.062 -9.937 1.00 65.35 C ATOM 1162 OE1 GLN A 82 -2.301 10.902 -10.635 1.00 31.24 O ATOM 1163 NE2 GLN A 82 -0.423 10.007 -9.896 1.00 2.41 N ATOM 0 H GLN A 82 -1.210 8.390 -6.615 1.00 74.02 H new ATOM 0 HA GLN A 82 -1.290 11.038 -7.644 1.00 12.32 H new ATOM 0 HB2 GLN A 82 -3.411 8.914 -7.110 1.00 24.11 H new ATOM 0 HB3 GLN A 82 -3.757 10.432 -7.914 1.00 24.11 H new ATOM 0 HG2 GLN A 82 -1.933 8.195 -8.890 1.00 25.24 H new ATOM 0 HG3 GLN A 82 -3.421 8.753 -9.628 1.00 25.24 H new ATOM 0 HE21 GLN A 82 0.041 9.308 -9.315 1.00 2.41 H new ATOM 0 HE22 GLN A 82 0.132 10.663 -10.445 1.00 2.41 H new ATOM 1170 N GLU A 83 -2.133 10.868 -4.577 1.00 10.12 N ATOM 1171 CA GLU A 83 -2.412 11.740 -3.442 1.00 30.01 C ATOM 1172 C GLU A 83 -1.317 12.817 -3.335 1.00 2.43 C ATOM 1173 O GLU A 83 -1.575 13.924 -2.868 1.00 51.31 O ATOM 1174 CB GLU A 83 -2.473 10.940 -2.125 1.00 10.52 C ATOM 1175 CG GLU A 83 -3.306 9.645 -2.143 1.00 10.40 C ATOM 1176 CD GLU A 83 -4.829 9.838 -2.147 1.00 13.14 C ATOM 1177 OE1 GLU A 83 -5.423 10.254 -3.169 1.00 11.53 O ATOM 1178 OE2 GLU A 83 -5.459 9.627 -1.080 1.00 53.51 O ATOM 0 H GLU A 83 -1.780 9.947 -4.317 1.00 10.12 H new ATOM 0 HA GLU A 83 -3.382 12.209 -3.605 1.00 30.01 H new ATOM 0 HB2 GLU A 83 -1.454 10.686 -1.833 1.00 10.52 H new ATOM 0 HB3 GLU A 83 -2.873 11.592 -1.349 1.00 10.52 H new ATOM 0 HG2 GLU A 83 -3.028 9.067 -3.025 1.00 10.40 H new ATOM 0 HG3 GLU A 83 -3.035 9.048 -1.272 1.00 10.40 H new ATOM 1183 N GLN A 84 -0.074 12.532 -3.740 1.00 14.54 N ATOM 1184 CA GLN A 84 1.040 13.455 -3.517 1.00 2.22 C ATOM 1185 C GLN A 84 0.968 14.678 -4.426 1.00 24.44 C ATOM 1186 O GLN A 84 1.473 15.733 -4.043 1.00 13.51 O ATOM 1187 CB GLN A 84 2.381 12.734 -3.695 1.00 70.24 C ATOM 1188 CG GLN A 84 2.672 11.843 -2.484 1.00 63.31 C ATOM 1189 CD GLN A 84 3.455 10.609 -2.894 1.00 10.22 C ATOM 1190 OE1 GLN A 84 4.647 10.659 -3.167 1.00 11.33 O ATOM 1191 NE2 GLN A 84 2.806 9.462 -2.909 1.00 32.43 N ATOM 0 H GLN A 84 0.183 11.671 -4.223 1.00 14.54 H new ATOM 0 HA GLN A 84 0.961 13.811 -2.490 1.00 2.22 H new ATOM 0 HB2 GLN A 84 2.359 12.130 -4.602 1.00 70.24 H new ATOM 0 HB3 GLN A 84 3.181 13.465 -3.818 1.00 70.24 H new ATOM 0 HG2 GLN A 84 3.236 12.406 -1.741 1.00 63.31 H new ATOM 0 HG3 GLN A 84 1.735 11.544 -2.014 1.00 63.31 H new ATOM 0 HE21 GLN A 84 1.813 9.435 -2.679 1.00 32.43 H new ATOM 0 HE22 GLN A 84 3.297 8.601 -3.150 1.00 32.43 H new ATOM 1198 N GLN A 85 0.333 14.568 -5.597 1.00 12.21 N ATOM 1199 CA GLN A 85 0.215 15.702 -6.511 1.00 64.34 C ATOM 1200 C GLN A 85 -0.647 16.828 -5.926 1.00 62.03 C ATOM 1201 O GLN A 85 -0.472 17.990 -6.295 1.00 71.34 O ATOM 1202 CB GLN A 85 -0.275 15.231 -7.890 1.00 72.14 C ATOM 1203 CG GLN A 85 -1.793 15.031 -7.942 1.00 13.51 C ATOM 1204 CD GLN A 85 -2.217 14.202 -9.144 1.00 53.43 C ATOM 1205 OE1 GLN A 85 -2.045 14.606 -10.291 1.00 32.23 O ATOM 1206 NE2 GLN A 85 -2.842 13.067 -8.905 1.00 43.25 N ATOM 0 H GLN A 85 -0.104 13.709 -5.931 1.00 12.21 H new ATOM 0 HA GLN A 85 1.207 16.134 -6.647 1.00 64.34 H new ATOM 0 HB2 GLN A 85 0.017 15.962 -8.644 1.00 72.14 H new ATOM 0 HB3 GLN A 85 0.220 14.294 -8.146 1.00 72.14 H new ATOM 0 HG2 GLN A 85 -2.126 14.540 -7.027 1.00 13.51 H new ATOM 0 HG3 GLN A 85 -2.286 16.003 -7.980 1.00 13.51 H new ATOM 0 HE21 GLN A 85 -2.974 12.750 -7.945 1.00 43.25 H new ATOM 0 HE22 GLN A 85 -3.194 12.505 -9.680 1.00 43.25 H new ATOM 1213 N ARG A 86 -1.561 16.492 -5.006 1.00 62.24 N ATOM 1214 CA ARG A 86 -2.367 17.476 -4.296 1.00 42.14 C ATOM 1215 C ARG A 86 -1.694 17.882 -2.993 1.00 5.24 C ATOM 1216 O ARG A 86 -1.684 19.070 -2.680 1.00 1.12 O ATOM 1217 CB ARG A 86 -3.816 16.993 -4.103 1.00 1.12 C ATOM 1218 CG ARG A 86 -3.963 15.679 -3.340 1.00 64.41 C ATOM 1219 CD ARG A 86 -5.412 15.329 -2.974 1.00 21.20 C ATOM 1220 NE ARG A 86 -5.443 14.425 -1.807 1.00 25.14 N ATOM 1221 CZ ARG A 86 -6.079 13.250 -1.714 1.00 53.51 C ATOM 1222 NH1 ARG A 86 -7.036 12.913 -2.572 1.00 62.12 N ATOM 1223 NH2 ARG A 86 -5.745 12.403 -0.749 1.00 70.34 N ATOM 0 H ARG A 86 -1.757 15.528 -4.738 1.00 62.24 H new ATOM 0 HA ARG A 86 -2.435 18.374 -4.910 1.00 42.14 H new ATOM 0 HB2 ARG A 86 -4.373 17.767 -3.575 1.00 1.12 H new ATOM 0 HB3 ARG A 86 -4.279 16.880 -5.083 1.00 1.12 H new ATOM 0 HG2 ARG A 86 -3.546 14.872 -3.943 1.00 64.41 H new ATOM 0 HG3 ARG A 86 -3.371 15.733 -2.426 1.00 64.41 H new ATOM 0 HD2 ARG A 86 -5.968 16.240 -2.752 1.00 21.20 H new ATOM 0 HD3 ARG A 86 -5.904 14.854 -3.823 1.00 21.20 H new ATOM 0 HE ARG A 86 -4.924 14.728 -0.983 1.00 25.14 H new ATOM 0 HH11 ARG A 86 -7.299 13.554 -3.320 1.00 62.12 H new ATOM 0 HH12 ARG A 86 -7.507 12.013 -2.483 1.00 62.12 H new ATOM 0 HH21 ARG A 86 -5.010 12.649 -0.086 1.00 70.34 H new ATOM 0 HH22 ARG A 86 -6.224 11.506 -0.670 1.00 70.34 H new ATOM 1234 N ASN A 87 -1.115 16.943 -2.231 1.00 13.30 N ATOM 1235 CA ASN A 87 -0.590 17.203 -0.895 1.00 65.02 C ATOM 1236 C ASN A 87 0.800 16.591 -0.718 1.00 45.45 C ATOM 1237 O ASN A 87 0.944 15.445 -0.291 1.00 12.24 O ATOM 1238 CB ASN A 87 -1.596 16.827 0.218 1.00 4.50 C ATOM 1239 CG ASN A 87 -2.285 15.469 0.116 1.00 14.20 C ATOM 1240 OD1 ASN A 87 -3.502 15.359 0.234 1.00 70.42 O ATOM 1241 ND2 ASN A 87 -1.563 14.385 -0.066 1.00 74.14 N ATOM 0 H ASN A 87 -1.000 15.976 -2.533 1.00 13.30 H new ATOM 0 HA ASN A 87 -0.457 18.280 -0.790 1.00 65.02 H new ATOM 0 HB2 ASN A 87 -1.072 16.867 1.173 1.00 4.50 H new ATOM 0 HB3 ASN A 87 -2.369 17.595 0.246 1.00 4.50 H new ATOM 0 HD21 ASN A 87 -2.016 13.472 -0.107 1.00 74.14 H new ATOM 0 HD22 ASN A 87 -0.551 14.457 -0.166 1.00 74.14 H new ATOM 1247 N GLU A 88 1.834 17.390 -0.978 1.00 42.15 N ATOM 1248 CA GLU A 88 3.234 17.070 -0.696 1.00 13.21 C ATOM 1249 C GLU A 88 3.423 16.747 0.799 1.00 63.02 C ATOM 1250 O GLU A 88 4.205 15.866 1.179 1.00 52.21 O ATOM 1251 CB GLU A 88 4.109 18.278 -1.071 1.00 12.23 C ATOM 1252 CG GLU A 88 3.998 18.739 -2.535 1.00 11.53 C ATOM 1253 CD GLU A 88 5.298 18.493 -3.293 1.00 43.11 C ATOM 1254 OE1 GLU A 88 6.186 19.372 -3.295 1.00 4.42 O ATOM 1255 OE2 GLU A 88 5.452 17.409 -3.905 1.00 33.04 O ATOM 0 H GLU A 88 1.717 18.309 -1.405 1.00 42.15 H new ATOM 0 HA GLU A 88 3.525 16.198 -1.282 1.00 13.21 H new ATOM 0 HB2 GLU A 88 3.844 19.113 -0.423 1.00 12.23 H new ATOM 0 HB3 GLU A 88 5.150 18.031 -0.863 1.00 12.23 H new ATOM 0 HG2 GLU A 88 3.182 18.207 -3.025 1.00 11.53 H new ATOM 0 HG3 GLU A 88 3.751 19.800 -2.567 1.00 11.53 H new ATOM 1260 N ASN A 89 2.687 17.442 1.671 1.00 30.01 N ATOM 1261 CA ASN A 89 2.720 17.270 3.123 1.00 10.52 C ATOM 1262 C ASN A 89 1.877 16.049 3.537 1.00 34.20 C ATOM 1263 O ASN A 89 0.931 16.186 4.319 1.00 63.11 O ATOM 1264 CB ASN A 89 2.257 18.575 3.811 1.00 33.11 C ATOM 1265 CG ASN A 89 3.351 19.639 3.857 1.00 70.21 C ATOM 1266 OD1 ASN A 89 4.259 19.546 4.672 1.00 25.21 O ATOM 1267 ND2 ASN A 89 3.337 20.631 2.979 1.00 63.14 N ATOM 0 H ASN A 89 2.030 18.164 1.374 1.00 30.01 H new ATOM 0 HA ASN A 89 3.740 17.072 3.451 1.00 10.52 H new ATOM 0 HB2 ASN A 89 1.392 18.973 3.281 1.00 33.11 H new ATOM 0 HB3 ASN A 89 1.933 18.350 4.827 1.00 33.11 H new ATOM 0 HD21 ASN A 89 4.086 21.323 2.980 1.00 63.14 H new ATOM 0 HD22 ASN A 89 2.577 20.703 2.302 1.00 63.14 H new ATOM 1273 N ASN A 90 2.158 14.848 3.007 1.00 12.21 N ATOM 1274 CA ASN A 90 1.431 13.618 3.367 1.00 3.32 C ATOM 1275 C ASN A 90 2.359 12.388 3.335 1.00 45.51 C ATOM 1276 O ASN A 90 2.194 11.484 2.507 1.00 11.42 O ATOM 1277 CB ASN A 90 0.202 13.465 2.454 1.00 33.02 C ATOM 1278 CG ASN A 90 -0.968 12.769 3.130 1.00 63.42 C ATOM 1279 OD1 ASN A 90 -2.004 13.384 3.363 1.00 53.14 O ATOM 1280 ND2 ASN A 90 -0.856 11.495 3.448 1.00 14.13 N ATOM 0 H ASN A 90 2.895 14.701 2.317 1.00 12.21 H new ATOM 0 HA ASN A 90 1.076 13.693 4.395 1.00 3.32 H new ATOM 0 HB2 ASN A 90 -0.117 14.452 2.117 1.00 33.02 H new ATOM 0 HB3 ASN A 90 0.486 12.902 1.565 1.00 33.02 H new ATOM 0 HD21 ASN A 90 -1.635 11.010 3.893 1.00 14.13 H new ATOM 0 HD22 ASN A 90 0.010 10.994 3.249 1.00 14.13 H new ATOM 1286 N PRO A 91 3.339 12.325 4.248 1.00 32.44 N ATOM 1287 CA PRO A 91 4.509 11.450 4.165 1.00 54.24 C ATOM 1288 C PRO A 91 4.142 9.965 4.234 1.00 64.12 C ATOM 1289 O PRO A 91 4.796 9.141 3.599 1.00 32.40 O ATOM 1290 CB PRO A 91 5.360 11.839 5.379 1.00 45.34 C ATOM 1291 CG PRO A 91 4.357 12.397 6.379 1.00 71.21 C ATOM 1292 CD PRO A 91 3.381 13.113 5.465 1.00 4.40 C ATOM 0 HA PRO A 91 5.025 11.576 3.213 1.00 54.24 H new ATOM 0 HB2 PRO A 91 5.890 10.978 5.786 1.00 45.34 H new ATOM 0 HB3 PRO A 91 6.113 12.581 5.115 1.00 45.34 H new ATOM 0 HG2 PRO A 91 3.874 11.610 6.958 1.00 71.21 H new ATOM 0 HG3 PRO A 91 4.824 13.076 7.092 1.00 71.21 H new ATOM 0 HD2 PRO A 91 2.394 13.182 5.922 1.00 4.40 H new ATOM 0 HD3 PRO A 91 3.710 14.132 5.261 1.00 4.40 H new ATOM 1297 N THR A 92 3.094 9.598 4.972 1.00 43.51 N ATOM 1298 CA THR A 92 2.623 8.233 5.093 1.00 4.42 C ATOM 1299 C THR A 92 2.283 7.650 3.719 1.00 32.31 C ATOM 1300 O THR A 92 2.744 6.551 3.417 1.00 31.32 O ATOM 1301 CB THR A 92 1.426 8.169 6.063 1.00 44.43 C ATOM 1302 OG1 THR A 92 1.500 9.191 7.041 1.00 32.32 O ATOM 1303 CG2 THR A 92 1.429 6.823 6.782 1.00 61.11 C ATOM 0 H THR A 92 2.541 10.264 5.512 1.00 43.51 H new ATOM 0 HA THR A 92 3.420 7.618 5.510 1.00 4.42 H new ATOM 0 HB THR A 92 0.515 8.300 5.479 1.00 44.43 H new ATOM 0 HG1 THR A 92 0.727 9.127 7.641 1.00 32.32 H new ATOM 0 HG21 THR A 92 0.584 6.775 7.468 1.00 61.11 H new ATOM 0 HG22 THR A 92 1.348 6.019 6.050 1.00 61.11 H new ATOM 0 HG23 THR A 92 2.358 6.712 7.342 1.00 61.11 H new ATOM 1311 N ALA A 93 1.525 8.375 2.881 1.00 61.13 N ATOM 1312 CA ALA A 93 1.238 7.975 1.502 1.00 72.30 C ATOM 1313 C ALA A 93 2.544 7.953 0.694 1.00 71.11 C ATOM 1314 O ALA A 93 2.787 7.027 -0.078 1.00 70.23 O ATOM 1315 CB ALA A 93 0.233 8.963 0.891 1.00 42.51 C ATOM 0 H ALA A 93 1.093 9.260 3.147 1.00 61.13 H new ATOM 0 HA ALA A 93 0.804 6.976 1.482 1.00 72.30 H new ATOM 0 HB1 ALA A 93 0.015 8.671 -0.136 1.00 42.51 H new ATOM 0 HB2 ALA A 93 -0.688 8.953 1.475 1.00 42.51 H new ATOM 0 HB3 ALA A 93 0.658 9.967 0.901 1.00 42.51 H new ATOM 1321 N LYS A 94 3.389 8.970 0.887 1.00 65.23 N ATOM 1322 CA LYS A 94 4.620 9.172 0.136 1.00 5.30 C ATOM 1323 C LYS A 94 5.575 7.990 0.226 1.00 10.24 C ATOM 1324 O LYS A 94 5.836 7.335 -0.787 1.00 31.13 O ATOM 1325 CB LYS A 94 5.270 10.496 0.564 1.00 70.25 C ATOM 1326 CG LYS A 94 6.482 10.791 -0.317 1.00 74.33 C ATOM 1327 CD LYS A 94 6.702 12.283 -0.549 1.00 14.34 C ATOM 1328 CE LYS A 94 7.588 12.926 0.524 1.00 70.41 C ATOM 1329 NZ LYS A 94 8.248 14.171 0.067 1.00 63.31 N ATOM 0 H LYS A 94 3.227 9.691 1.590 1.00 65.23 H new ATOM 0 HA LYS A 94 4.366 9.238 -0.922 1.00 5.30 H new ATOM 0 HB2 LYS A 94 4.547 11.308 0.486 1.00 70.25 H new ATOM 0 HB3 LYS A 94 5.575 10.440 1.609 1.00 70.25 H new ATOM 0 HG2 LYS A 94 7.373 10.366 0.146 1.00 74.33 H new ATOM 0 HG3 LYS A 94 6.354 10.294 -1.279 1.00 74.33 H new ATOM 0 HD2 LYS A 94 7.159 12.431 -1.527 1.00 14.34 H new ATOM 0 HD3 LYS A 94 5.737 12.789 -0.568 1.00 14.34 H new ATOM 0 HE2 LYS A 94 6.982 13.145 1.403 1.00 70.41 H new ATOM 0 HE3 LYS A 94 8.350 12.211 0.833 1.00 70.41 H new ATOM 0 HZ1 LYS A 94 8.832 14.557 0.836 1.00 63.31 H new ATOM 0 HZ2 LYS A 94 8.851 13.963 -0.754 1.00 63.31 H new ATOM 0 HZ3 LYS A 94 7.525 14.869 -0.202 1.00 63.31 H new ATOM 1339 N TYR A 95 6.103 7.720 1.420 1.00 25.42 N ATOM 1340 CA TYR A 95 7.114 6.689 1.597 1.00 5.54 C ATOM 1341 C TYR A 95 6.593 5.344 1.103 1.00 44.44 C ATOM 1342 O TYR A 95 7.335 4.639 0.421 1.00 61.40 O ATOM 1343 CB TYR A 95 7.519 6.566 3.073 1.00 74.13 C ATOM 1344 CG TYR A 95 8.510 7.586 3.588 1.00 41.43 C ATOM 1345 CD1 TYR A 95 9.818 7.579 3.079 1.00 62.04 C ATOM 1346 CD2 TYR A 95 8.179 8.460 4.639 1.00 4.51 C ATOM 1347 CE1 TYR A 95 10.802 8.413 3.621 1.00 52.23 C ATOM 1348 CE2 TYR A 95 9.163 9.297 5.201 1.00 73.23 C ATOM 1349 CZ TYR A 95 10.485 9.271 4.697 1.00 14.31 C ATOM 1350 OH TYR A 95 11.460 10.025 5.279 1.00 51.13 O ATOM 0 H TYR A 95 5.843 8.205 2.279 1.00 25.42 H new ATOM 0 HA TYR A 95 7.989 6.976 1.013 1.00 5.54 H new ATOM 0 HB2 TYR A 95 6.617 6.630 3.681 1.00 74.13 H new ATOM 0 HB3 TYR A 95 7.939 5.573 3.230 1.00 74.13 H new ATOM 0 HD1 TYR A 95 10.068 6.922 2.259 1.00 62.04 H new ATOM 0 HD2 TYR A 95 7.167 8.490 5.016 1.00 4.51 H new ATOM 0 HE1 TYR A 95 11.803 8.401 3.217 1.00 52.23 H new ATOM 0 HE2 TYR A 95 8.908 9.958 6.016 1.00 73.23 H new ATOM 0 HH TYR A 95 11.072 10.560 6.003 1.00 51.13 H new ATOM 1359 N ARG A 96 5.346 4.963 1.424 1.00 65.04 N ATOM 1360 CA ARG A 96 4.843 3.669 0.996 1.00 30.22 C ATOM 1361 C ARG A 96 4.749 3.572 -0.528 1.00 73.01 C ATOM 1362 O ARG A 96 5.253 2.583 -1.057 1.00 44.54 O ATOM 1363 CB ARG A 96 3.579 3.279 1.772 1.00 31.35 C ATOM 1364 CG ARG A 96 2.308 4.099 1.525 1.00 64.11 C ATOM 1365 CD ARG A 96 1.266 3.886 2.641 1.00 62.23 C ATOM 1366 NE ARG A 96 0.115 4.786 2.495 1.00 3.32 N ATOM 1367 CZ ARG A 96 -0.625 5.357 3.460 1.00 41.11 C ATOM 1368 NH1 ARG A 96 -0.470 5.090 4.751 1.00 54.53 N ATOM 1369 NH2 ARG A 96 -1.543 6.251 3.127 1.00 30.21 N ATOM 0 H ARG A 96 4.689 5.525 1.966 1.00 65.04 H new ATOM 0 HA ARG A 96 5.568 2.899 1.259 1.00 30.22 H new ATOM 0 HB2 ARG A 96 3.355 2.237 1.545 1.00 31.35 H new ATOM 0 HB3 ARG A 96 3.810 3.331 2.836 1.00 31.35 H new ATOM 0 HG2 ARG A 96 2.564 5.157 1.463 1.00 64.11 H new ATOM 0 HG3 ARG A 96 1.875 3.819 0.565 1.00 64.11 H new ATOM 0 HD2 ARG A 96 0.922 2.852 2.624 1.00 62.23 H new ATOM 0 HD3 ARG A 96 1.735 4.050 3.611 1.00 62.23 H new ATOM 0 HE ARG A 96 -0.158 5.006 1.537 1.00 3.32 H new ATOM 0 HH11 ARG A 96 0.239 4.422 5.052 1.00 54.53 H new ATOM 0 HH12 ARG A 96 -1.060 5.553 5.442 1.00 54.53 H new ATOM 0 HH21 ARG A 96 -1.682 6.499 2.147 1.00 30.21 H new ATOM 0 HH22 ARG A 96 -2.111 6.692 3.850 1.00 30.21 H new ATOM 1380 N ALA A 97 4.263 4.600 -1.246 1.00 22.22 N ATOM 1381 CA ALA A 97 4.251 4.614 -2.704 1.00 65.31 C ATOM 1382 C ALA A 97 5.660 4.349 -3.237 1.00 53.42 C ATOM 1383 O ALA A 97 5.866 3.476 -4.086 1.00 3.32 O ATOM 1384 CB ALA A 97 3.749 5.971 -3.210 1.00 73.01 C ATOM 0 H ALA A 97 3.869 5.441 -0.823 1.00 22.22 H new ATOM 0 HA ALA A 97 3.581 3.832 -3.062 1.00 65.31 H new ATOM 0 HB1 ALA A 97 3.743 5.973 -4.300 1.00 73.01 H new ATOM 0 HB2 ALA A 97 2.738 6.146 -2.841 1.00 73.01 H new ATOM 0 HB3 ALA A 97 4.408 6.760 -2.849 1.00 73.01 H new ATOM 1390 N ARG A 98 6.642 5.093 -2.717 1.00 2.44 N ATOM 1391 CA ARG A 98 8.031 4.977 -3.130 1.00 4.43 C ATOM 1392 C ARG A 98 8.629 3.612 -2.830 1.00 22.14 C ATOM 1393 O ARG A 98 9.452 3.132 -3.603 1.00 2.32 O ATOM 1394 CB ARG A 98 8.857 6.085 -2.465 1.00 53.11 C ATOM 1395 CG ARG A 98 8.937 7.291 -3.395 1.00 70.44 C ATOM 1396 CD ARG A 98 9.654 8.448 -2.709 1.00 70.45 C ATOM 1397 NE ARG A 98 9.808 9.552 -3.660 1.00 41.35 N ATOM 1398 CZ ARG A 98 10.772 9.799 -4.555 1.00 25.30 C ATOM 1399 NH1 ARG A 98 11.874 9.059 -4.643 1.00 3.42 N ATOM 1400 NH2 ARG A 98 10.611 10.830 -5.367 1.00 52.33 N ATOM 0 H ARG A 98 6.487 5.795 -1.993 1.00 2.44 H new ATOM 0 HA ARG A 98 8.059 5.090 -4.214 1.00 4.43 H new ATOM 0 HB2 ARG A 98 8.402 6.373 -1.518 1.00 53.11 H new ATOM 0 HB3 ARG A 98 9.859 5.720 -2.239 1.00 53.11 H new ATOM 0 HG2 ARG A 98 9.465 7.019 -4.309 1.00 70.44 H new ATOM 0 HG3 ARG A 98 7.933 7.600 -3.687 1.00 70.44 H new ATOM 0 HD2 ARG A 98 9.087 8.778 -1.839 1.00 70.45 H new ATOM 0 HD3 ARG A 98 10.630 8.124 -2.349 1.00 70.45 H new ATOM 0 HE ARG A 98 9.059 10.244 -3.636 1.00 41.35 H new ATOM 0 HH11 ARG A 98 12.009 8.268 -4.013 1.00 3.42 H new ATOM 0 HH12 ARG A 98 12.584 9.283 -5.340 1.00 3.42 H new ATOM 0 HH21 ARG A 98 9.773 11.407 -5.299 1.00 52.33 H new ATOM 0 HH22 ARG A 98 11.325 11.048 -6.062 1.00 52.33 H new ATOM 1411 N LEU A 99 8.221 2.967 -1.739 1.00 45.00 N ATOM 1412 CA LEU A 99 8.695 1.638 -1.374 1.00 72.23 C ATOM 1413 C LEU A 99 8.417 0.669 -2.515 1.00 74.20 C ATOM 1414 O LEU A 99 9.320 -0.012 -3.000 1.00 51.42 O ATOM 1415 CB LEU A 99 8.050 1.209 -0.049 1.00 14.15 C ATOM 1416 CG LEU A 99 8.966 0.306 0.789 1.00 3.13 C ATOM 1417 CD1 LEU A 99 8.525 0.400 2.254 1.00 45.33 C ATOM 1418 CD2 LEU A 99 8.992 -1.138 0.368 1.00 1.42 C ATOM 0 H LEU A 99 7.547 3.357 -1.080 1.00 45.00 H new ATOM 0 HA LEU A 99 9.773 1.643 -1.215 1.00 72.23 H new ATOM 0 HB2 LEU A 99 7.793 2.096 0.530 1.00 14.15 H new ATOM 0 HB3 LEU A 99 7.118 0.683 -0.256 1.00 14.15 H new ATOM 0 HG LEU A 99 9.982 0.670 0.637 1.00 3.13 H new ATOM 0 HD11 LEU A 99 9.164 -0.235 2.868 1.00 45.33 H new ATOM 0 HD12 LEU A 99 8.607 1.433 2.593 1.00 45.33 H new ATOM 0 HD13 LEU A 99 7.490 0.069 2.344 1.00 45.33 H new ATOM 0 HD21 LEU A 99 9.666 -1.695 1.019 1.00 1.42 H new ATOM 0 HD22 LEU A 99 7.988 -1.557 0.442 1.00 1.42 H new ATOM 0 HD23 LEU A 99 9.340 -1.210 -0.662 1.00 1.42 H new ATOM 1429 N MET A 100 7.179 0.689 -3.008 1.00 63.10 N ATOM 1430 CA MET A 100 6.739 -0.172 -4.093 1.00 74.10 C ATOM 1431 C MET A 100 7.559 0.068 -5.370 1.00 54.11 C ATOM 1432 O MET A 100 7.809 -0.875 -6.111 1.00 43.41 O ATOM 1433 CB MET A 100 5.245 0.028 -4.372 1.00 41.21 C ATOM 1434 CG MET A 100 4.329 0.315 -3.174 1.00 33.03 C ATOM 1435 SD MET A 100 4.579 -0.649 -1.647 1.00 51.23 S ATOM 1436 CE MET A 100 3.792 -2.211 -2.101 1.00 14.34 C ATOM 0 H MET A 100 6.450 1.311 -2.659 1.00 63.10 H new ATOM 0 HA MET A 100 6.901 -1.204 -3.780 1.00 74.10 H new ATOM 0 HB2 MET A 100 5.143 0.852 -5.078 1.00 41.21 H new ATOM 0 HB3 MET A 100 4.874 -0.867 -4.871 1.00 41.21 H new ATOM 0 HG2 MET A 100 4.432 1.370 -2.922 1.00 33.03 H new ATOM 0 HG3 MET A 100 3.299 0.164 -3.498 1.00 33.03 H new ATOM 0 HE1 MET A 100 4.256 -3.027 -1.547 1.00 14.34 H new ATOM 0 HE2 MET A 100 2.730 -2.167 -1.860 1.00 14.34 H new ATOM 0 HE3 MET A 100 3.915 -2.383 -3.170 1.00 14.34 H new ATOM 1444 N LYS A 101 8.024 1.305 -5.617 1.00 32.51 N ATOM 1445 CA LYS A 101 8.849 1.657 -6.785 1.00 24.42 C ATOM 1446 C LYS A 101 10.130 0.832 -6.813 1.00 45.44 C ATOM 1447 O LYS A 101 10.611 0.468 -7.879 1.00 21.51 O ATOM 1448 CB LYS A 101 9.222 3.155 -6.749 1.00 1.24 C ATOM 1449 CG LYS A 101 9.655 3.760 -8.094 1.00 43.24 C ATOM 1450 CD LYS A 101 8.502 4.169 -9.030 1.00 44.03 C ATOM 1451 CE LYS A 101 8.211 3.111 -10.105 1.00 4.14 C ATOM 1452 NZ LYS A 101 7.144 3.536 -11.036 1.00 54.12 N ATOM 0 H LYS A 101 7.835 2.098 -5.004 1.00 32.51 H new ATOM 0 HA LYS A 101 8.264 1.444 -7.680 1.00 24.42 H new ATOM 0 HB2 LYS A 101 8.365 3.716 -6.377 1.00 1.24 H new ATOM 0 HB3 LYS A 101 10.030 3.293 -6.031 1.00 1.24 H new ATOM 0 HG2 LYS A 101 10.271 4.637 -7.898 1.00 43.24 H new ATOM 0 HG3 LYS A 101 10.285 3.038 -8.613 1.00 43.24 H new ATOM 0 HD2 LYS A 101 7.602 4.339 -8.439 1.00 44.03 H new ATOM 0 HD3 LYS A 101 8.749 5.114 -9.513 1.00 44.03 H new ATOM 0 HE2 LYS A 101 9.122 2.908 -10.668 1.00 4.14 H new ATOM 0 HE3 LYS A 101 7.920 2.178 -9.624 1.00 4.14 H new ATOM 0 HZ1 LYS A 101 7.186 2.958 -11.900 1.00 54.12 H new ATOM 0 HZ2 LYS A 101 6.217 3.412 -10.581 1.00 54.12 H new ATOM 0 HZ3 LYS A 101 7.277 4.537 -11.283 1.00 54.12 H new ATOM 1462 N LYS A 102 10.712 0.573 -5.646 1.00 70.22 N ATOM 1463 CA LYS A 102 11.928 -0.217 -5.541 1.00 3.14 C ATOM 1464 C LYS A 102 11.611 -1.706 -5.632 1.00 64.12 C ATOM 1465 O LYS A 102 12.386 -2.454 -6.219 1.00 52.32 O ATOM 1466 CB LYS A 102 12.645 0.151 -4.235 1.00 45.20 C ATOM 1467 CG LYS A 102 14.127 0.441 -4.495 1.00 33.23 C ATOM 1468 CD LYS A 102 14.775 1.129 -3.287 1.00 21.44 C ATOM 1469 CE LYS A 102 16.273 1.302 -3.538 1.00 30.24 C ATOM 1470 NZ LYS A 102 16.538 2.503 -4.356 1.00 23.32 N ATOM 0 H LYS A 102 10.353 0.905 -4.751 1.00 70.22 H new ATOM 0 HA LYS A 102 12.596 0.007 -6.373 1.00 3.14 H new ATOM 0 HB2 LYS A 102 12.171 1.025 -3.788 1.00 45.20 H new ATOM 0 HB3 LYS A 102 12.549 -0.665 -3.519 1.00 45.20 H new ATOM 0 HG2 LYS A 102 14.651 -0.490 -4.711 1.00 33.23 H new ATOM 0 HG3 LYS A 102 14.228 1.075 -5.376 1.00 33.23 H new ATOM 0 HD2 LYS A 102 14.310 2.100 -3.116 1.00 21.44 H new ATOM 0 HD3 LYS A 102 14.613 0.535 -2.387 1.00 21.44 H new ATOM 0 HE2 LYS A 102 16.798 1.383 -2.586 1.00 30.24 H new ATOM 0 HE3 LYS A 102 16.665 0.420 -4.044 1.00 30.24 H new ATOM 0 HZ1 LYS A 102 17.562 2.598 -4.512 1.00 23.32 H new ATOM 0 HZ2 LYS A 102 16.055 2.412 -5.273 1.00 23.32 H new ATOM 0 HZ3 LYS A 102 16.184 3.346 -3.860 1.00 23.32 H new ATOM 1480 N ILE A 103 10.480 -2.138 -5.075 1.00 13.35 N ATOM 1481 CA ILE A 103 10.020 -3.516 -5.177 1.00 71.22 C ATOM 1482 C ILE A 103 9.802 -3.907 -6.648 1.00 42.31 C ATOM 1483 O ILE A 103 10.319 -4.936 -7.082 1.00 31.15 O ATOM 1484 CB ILE A 103 8.778 -3.708 -4.276 1.00 62.22 C ATOM 1485 CG1 ILE A 103 9.170 -3.457 -2.803 1.00 64.32 C ATOM 1486 CG2 ILE A 103 8.193 -5.128 -4.394 1.00 3.45 C ATOM 1487 CD1 ILE A 103 7.998 -3.226 -1.853 1.00 2.45 C ATOM 0 H ILE A 103 9.856 -1.536 -4.538 1.00 13.35 H new ATOM 0 HA ILE A 103 10.782 -4.203 -4.809 1.00 71.22 H new ATOM 0 HB ILE A 103 8.020 -2.997 -4.605 1.00 62.22 H new ATOM 0 HG12 ILE A 103 9.745 -4.311 -2.445 1.00 64.32 H new ATOM 0 HG13 ILE A 103 9.828 -2.589 -2.761 1.00 64.32 H new ATOM 0 HG21 ILE A 103 7.322 -5.218 -3.744 1.00 3.45 H new ATOM 0 HG22 ILE A 103 7.896 -5.315 -5.426 1.00 3.45 H new ATOM 0 HG23 ILE A 103 8.946 -5.858 -4.095 1.00 3.45 H new ATOM 0 HD11 ILE A 103 8.375 -3.059 -0.844 1.00 2.45 H new ATOM 0 HD12 ILE A 103 7.433 -2.353 -2.178 1.00 2.45 H new ATOM 0 HD13 ILE A 103 7.348 -4.101 -1.858 1.00 2.45 H new ATOM 1498 N ALA A 104 9.045 -3.095 -7.398 1.00 52.30 N ATOM 1499 CA ALA A 104 8.695 -3.380 -8.793 1.00 53.30 C ATOM 1500 C ALA A 104 9.901 -3.313 -9.744 1.00 5.13 C ATOM 1501 O ALA A 104 9.863 -3.871 -10.841 1.00 12.32 O ATOM 1502 CB ALA A 104 7.635 -2.371 -9.241 1.00 53.31 C ATOM 0 H ALA A 104 8.657 -2.218 -7.051 1.00 52.30 H new ATOM 0 HA ALA A 104 8.318 -4.402 -8.839 1.00 53.30 H new ATOM 0 HB1 ALA A 104 7.361 -2.567 -10.278 1.00 53.31 H new ATOM 0 HB2 ALA A 104 6.752 -2.466 -8.609 1.00 53.31 H new ATOM 0 HB3 ALA A 104 8.035 -1.361 -9.156 1.00 53.31 H new ATOM 1508 N ASP A 105 10.977 -2.647 -9.314 1.00 70.41 N ATOM 1509 CA ASP A 105 12.243 -2.564 -10.049 1.00 30.51 C ATOM 1510 C ASP A 105 12.824 -3.976 -10.114 1.00 44.44 C ATOM 1511 O ASP A 105 13.020 -4.554 -11.184 1.00 63.13 O ATOM 1512 CB ASP A 105 13.216 -1.598 -9.331 1.00 24.31 C ATOM 1513 CG ASP A 105 13.541 -0.333 -10.123 1.00 54.42 C ATOM 1514 OD1 ASP A 105 12.643 0.275 -10.756 1.00 73.52 O ATOM 1515 OD2 ASP A 105 14.693 0.158 -9.997 1.00 11.05 O ATOM 0 H ASP A 105 10.993 -2.141 -8.429 1.00 70.41 H new ATOM 0 HA ASP A 105 12.084 -2.175 -11.055 1.00 30.51 H new ATOM 0 HB2 ASP A 105 12.784 -1.312 -8.372 1.00 24.31 H new ATOM 0 HB3 ASP A 105 14.144 -2.128 -9.117 1.00 24.31 H new ATOM 1519 N LEU A 106 13.007 -4.548 -8.927 1.00 34.12 N ATOM 1520 CA LEU A 106 13.633 -5.825 -8.607 1.00 1.11 C ATOM 1521 C LEU A 106 12.739 -7.032 -8.874 1.00 5.15 C ATOM 1522 O LEU A 106 13.047 -8.132 -8.400 1.00 33.15 O ATOM 1523 CB LEU A 106 14.009 -5.766 -7.119 1.00 24.44 C ATOM 1524 CG LEU A 106 15.134 -4.773 -6.797 1.00 51.12 C ATOM 1525 CD1 LEU A 106 15.199 -4.488 -5.289 1.00 4.24 C ATOM 1526 CD2 LEU A 106 16.473 -5.326 -7.286 1.00 23.23 C ATOM 0 H LEU A 106 12.687 -4.079 -8.080 1.00 34.12 H new ATOM 0 HA LEU A 106 14.500 -5.964 -9.253 1.00 1.11 H new ATOM 0 HB2 LEU A 106 13.124 -5.496 -6.542 1.00 24.44 H new ATOM 0 HB3 LEU A 106 14.312 -6.761 -6.792 1.00 24.44 H new ATOM 0 HG LEU A 106 14.923 -3.836 -7.312 1.00 51.12 H new ATOM 0 HD11 LEU A 106 16.004 -3.782 -5.087 1.00 4.24 H new ATOM 0 HD12 LEU A 106 14.252 -4.063 -4.958 1.00 4.24 H new ATOM 0 HD13 LEU A 106 15.388 -5.417 -4.751 1.00 4.24 H new ATOM 0 HD21 LEU A 106 17.267 -4.616 -7.054 1.00 23.23 H new ATOM 0 HD22 LEU A 106 16.678 -6.274 -6.789 1.00 23.23 H new ATOM 0 HD23 LEU A 106 16.430 -5.483 -8.364 1.00 23.23 H new ATOM 1537 N TRP A 107 11.618 -6.834 -9.569 1.00 44.00 N ATOM 1538 CA TRP A 107 10.681 -7.907 -9.797 1.00 10.31 C ATOM 1539 C TRP A 107 11.331 -8.990 -10.655 1.00 13.24 C ATOM 1540 O TRP A 107 11.379 -10.149 -10.186 1.00 73.23 O ATOM 1541 CB TRP A 107 9.362 -7.352 -10.362 1.00 51.14 C ATOM 1542 CG TRP A 107 8.203 -8.220 -10.000 1.00 1.25 C ATOM 1543 CD1 TRP A 107 7.399 -8.905 -10.843 1.00 43.12 C ATOM 1544 CD2 TRP A 107 7.660 -8.430 -8.662 1.00 71.42 C ATOM 1545 NE1 TRP A 107 6.501 -9.653 -10.106 1.00 64.33 N ATOM 1546 CE2 TRP A 107 6.592 -9.371 -8.758 1.00 5.35 C ATOM 1547 CE3 TRP A 107 7.936 -7.872 -7.390 1.00 74.13 C ATOM 1548 CZ2 TRP A 107 5.858 -9.778 -7.634 1.00 1.35 C ATOM 1549 CZ3 TRP A 107 7.176 -8.251 -6.260 1.00 22.44 C ATOM 1550 CH2 TRP A 107 6.135 -9.196 -6.383 1.00 72.51 C ATOM 0 H TRP A 107 11.348 -5.940 -9.978 1.00 44.00 H new ATOM 0 HA TRP A 107 10.415 -8.389 -8.856 1.00 10.31 H new ATOM 0 HB2 TRP A 107 9.197 -6.345 -9.980 1.00 51.14 H new ATOM 0 HB3 TRP A 107 9.434 -7.274 -11.447 1.00 51.14 H new ATOM 0 HD1 TRP A 107 7.450 -8.873 -11.921 1.00 43.12 H new ATOM 0 HE1 TRP A 107 5.852 -10.329 -10.508 1.00 64.33 H new ATOM 0 HE3 TRP A 107 8.733 -7.151 -7.282 1.00 74.13 H new ATOM 0 HZ2 TRP A 107 5.089 -10.530 -7.728 1.00 1.35 H new ATOM 0 HZ3 TRP A 107 7.393 -7.815 -5.296 1.00 22.44 H new ATOM 0 HH2 TRP A 107 5.551 -9.472 -5.517 1.00 72.51 H new TER 1560 TRP A 107