USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot -94:sc= 0.621 USER MOD Set 1.2: A 112 THR OG1 : rot 176:sc= 0.56 USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.122 USER MOD Single : A 4 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.51) USER MOD Single : A 8 GLN : amide:sc= -0.0658 K(o=-0.066,f=-1.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.0792 USER MOD Single : A 13 THR OG1 : rot -61:sc= 0.837 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -109:sc= -0.46 (180deg=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.834 K(o=-0.83,f=-2.4!) USER MOD Single : A 31 CYS SG : rot 79:sc= -1.15 USER MOD Single : A 32 LYS NZ :NH3+ -143:sc= -0.304 (180deg=-2.57!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.028) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.7) USER MOD Single : A 40 SER OG : rot 14:sc= 1.23 USER MOD Single : A 46 ASN : amide:sc= -0.704 K(o=-0.7,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= -1.16 (180deg=-3.22!) USER MOD Single : A 50 ASN : amide:sc= -0.779 K(o=-0.78,f=-4.2!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.32) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc=-5.92e-05 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 81 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.89) USER MOD Single : A 83 SER OG : rot -160:sc= -0.703 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0475 K(o=-0.047,f=-1.1) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc=-1.93e-05 X(o=-1.9e-05,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.69) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -2.183 -1.314 -3.649 1.00 14.15 N ATOM 2 CA GLN A 1 -2.210 -0.179 -2.733 1.00 34.40 C ATOM 3 C GLN A 1 -0.900 0.599 -2.791 1.00 70.35 C ATOM 4 O GLN A 1 0.117 0.163 -2.251 1.00 74.12 O ATOM 5 CB GLN A 1 -2.470 -0.657 -1.303 1.00 54.12 C ATOM 6 CG GLN A 1 -3.904 -0.448 -0.843 1.00 73.44 C ATOM 7 CD GLN A 1 -4.163 -1.017 0.538 1.00 61.53 C ATOM 8 OE1 GLN A 1 -3.545 -2.003 0.941 1.00 21.04 O ATOM 9 NE2 GLN A 1 -5.080 -0.398 1.271 1.00 34.22 N ATOM 0 H1 GLN A 1 -3.085 -1.828 -3.592 1.00 14.15 H new ATOM 0 H2 GLN A 1 -2.040 -0.972 -4.621 1.00 14.15 H new ATOM 0 H3 GLN A 1 -1.404 -1.952 -3.388 1.00 14.15 H new ATOM 0 HA GLN A 1 -3.019 0.484 -3.040 1.00 34.40 H new ATOM 0 HB2 GLN A 1 -2.226 -1.717 -1.233 1.00 54.12 H new ATOM 0 HB3 GLN A 1 -1.799 -0.130 -0.625 1.00 54.12 H new ATOM 0 HG2 GLN A 1 -4.129 0.619 -0.840 1.00 73.44 H new ATOM 0 HG3 GLN A 1 -4.582 -0.915 -1.557 1.00 73.44 H new ATOM 0 HE21 GLN A 1 -5.568 0.416 0.897 1.00 34.22 H new ATOM 0 HE22 GLN A 1 -5.297 -0.736 2.209 1.00 34.22 H new ATOM 18 N SER A 2 -0.931 1.752 -3.451 1.00 14.30 N ATOM 19 CA SER A 2 0.255 2.589 -3.584 1.00 3.43 C ATOM 20 C SER A 2 -0.125 4.066 -3.634 1.00 44.12 C ATOM 21 O SER A 2 -1.250 4.442 -3.303 1.00 31.40 O ATOM 22 CB SER A 2 1.036 2.209 -4.843 1.00 74.53 C ATOM 23 OG SER A 2 2.409 2.532 -4.710 1.00 13.50 O ATOM 0 H SER A 2 -1.765 2.128 -3.902 1.00 14.30 H new ATOM 0 HA SER A 2 0.886 2.423 -2.711 1.00 3.43 H new ATOM 0 HB2 SER A 2 0.927 1.141 -5.033 1.00 74.53 H new ATOM 0 HB3 SER A 2 0.619 2.730 -5.704 1.00 74.53 H new ATOM 0 HG SER A 2 2.886 2.277 -5.528 1.00 13.50 H new ATOM 29 N LEU A 3 0.822 4.900 -4.051 1.00 20.13 N ATOM 30 CA LEU A 3 0.588 6.337 -4.145 1.00 65.23 C ATOM 31 C LEU A 3 -0.553 6.641 -5.111 1.00 23.43 C ATOM 32 O LEU A 3 -1.095 5.740 -5.749 1.00 63.24 O ATOM 33 CB LEU A 3 1.862 7.051 -4.602 1.00 13.44 C ATOM 34 CG LEU A 3 2.526 7.963 -3.569 1.00 64.05 C ATOM 35 CD1 LEU A 3 1.569 9.060 -3.131 1.00 51.10 C ATOM 36 CD2 LEU A 3 2.999 7.155 -2.370 1.00 64.30 C ATOM 0 H LEU A 3 1.758 4.606 -4.329 1.00 20.13 H new ATOM 0 HA LEU A 3 0.309 6.701 -3.156 1.00 65.23 H new ATOM 0 HB2 LEU A 3 2.586 6.297 -4.911 1.00 13.44 H new ATOM 0 HB3 LEU A 3 1.625 7.646 -5.484 1.00 13.44 H new ATOM 0 HG LEU A 3 3.395 8.431 -4.032 1.00 64.05 H new ATOM 0 HD11 LEU A 3 2.059 9.698 -2.396 1.00 51.10 H new ATOM 0 HD12 LEU A 3 1.280 9.657 -3.996 1.00 51.10 H new ATOM 0 HD13 LEU A 3 0.680 8.612 -2.687 1.00 51.10 H new ATOM 0 HD21 LEU A 3 3.469 7.820 -1.645 1.00 64.30 H new ATOM 0 HD22 LEU A 3 2.147 6.658 -1.907 1.00 64.30 H new ATOM 0 HD23 LEU A 3 3.721 6.407 -2.697 1.00 64.30 H new ATOM 48 N ASN A 4 -0.911 7.917 -5.213 1.00 24.51 N ATOM 49 CA ASN A 4 -1.986 8.340 -6.102 1.00 74.31 C ATOM 50 C ASN A 4 -1.657 8.003 -7.553 1.00 44.53 C ATOM 51 O ASN A 4 -0.496 7.841 -7.930 1.00 60.45 O ATOM 52 CB ASN A 4 -2.233 9.843 -5.959 1.00 33.25 C ATOM 53 CG ASN A 4 -0.943 10.637 -5.895 1.00 11.23 C ATOM 54 OD1 ASN A 4 -0.217 10.744 -6.883 1.00 54.13 O ATOM 55 ND2 ASN A 4 -0.652 11.199 -4.727 1.00 64.12 N ATOM 0 H ASN A 4 -0.472 8.676 -4.691 1.00 24.51 H new ATOM 0 HA ASN A 4 -2.890 7.802 -5.819 1.00 74.31 H new ATOM 0 HB2 ASN A 4 -2.830 10.192 -6.802 1.00 33.25 H new ATOM 0 HB3 ASN A 4 -2.816 10.028 -5.057 1.00 33.25 H new ATOM 0 HD21 ASN A 4 0.203 11.746 -4.623 1.00 64.12 H new ATOM 0 HD22 ASN A 4 -1.283 11.084 -3.934 1.00 64.12 H new ATOM 62 N PRO A 5 -2.701 7.897 -8.388 1.00 50.51 N ATOM 63 CA PRO A 5 -2.548 7.581 -9.811 1.00 40.13 C ATOM 64 C PRO A 5 -1.913 8.725 -10.594 1.00 42.04 C ATOM 65 O PRO A 5 -1.287 8.508 -11.632 1.00 34.54 O ATOM 66 CB PRO A 5 -3.986 7.347 -10.279 1.00 74.42 C ATOM 67 CG PRO A 5 -4.826 8.129 -9.329 1.00 51.14 C ATOM 68 CD PRO A 5 -4.112 8.079 -8.007 1.00 62.21 C ATOM 0 HA PRO A 5 -1.889 6.727 -9.970 1.00 40.13 H new ATOM 0 HB2 PRO A 5 -4.128 7.686 -11.305 1.00 74.42 H new ATOM 0 HB3 PRO A 5 -4.243 6.288 -10.255 1.00 74.42 H new ATOM 0 HG2 PRO A 5 -4.945 9.158 -9.669 1.00 51.14 H new ATOM 0 HG3 PRO A 5 -5.826 7.702 -9.249 1.00 51.14 H new ATOM 0 HD2 PRO A 5 -4.259 8.996 -7.436 1.00 62.21 H new ATOM 0 HD3 PRO A 5 -4.470 7.257 -7.388 1.00 62.21 H new ATOM 76 N ALA A 6 -2.077 9.944 -10.091 1.00 33.23 N ATOM 77 CA ALA A 6 -1.518 11.122 -10.742 1.00 64.51 C ATOM 78 C ALA A 6 -1.976 11.216 -12.194 1.00 25.34 C ATOM 79 O ALA A 6 -1.277 11.775 -13.041 1.00 35.15 O ATOM 80 CB ALA A 6 0.002 11.094 -10.667 1.00 12.43 C ATOM 0 H ALA A 6 -2.593 10.141 -9.234 1.00 33.23 H new ATOM 0 HA ALA A 6 -1.881 12.005 -10.216 1.00 64.51 H new ATOM 0 HB1 ALA A 6 0.407 11.980 -11.157 1.00 12.43 H new ATOM 0 HB2 ALA A 6 0.315 11.082 -9.623 1.00 12.43 H new ATOM 0 HB3 ALA A 6 0.375 10.200 -11.167 1.00 12.43 H new ATOM 86 N LEU A 7 -3.151 10.665 -12.475 1.00 13.21 N ATOM 87 CA LEU A 7 -3.703 10.687 -13.825 1.00 64.44 C ATOM 88 C LEU A 7 -4.830 11.708 -13.937 1.00 74.40 C ATOM 89 O LEU A 7 -4.923 12.438 -14.923 1.00 3.20 O ATOM 90 CB LEU A 7 -4.216 9.298 -14.210 1.00 14.03 C ATOM 91 CG LEU A 7 -3.151 8.271 -14.596 1.00 52.54 C ATOM 92 CD1 LEU A 7 -3.733 6.867 -14.582 1.00 34.33 C ATOM 93 CD2 LEU A 7 -2.570 8.596 -15.965 1.00 31.40 C ATOM 0 H LEU A 7 -3.740 10.197 -11.786 1.00 13.21 H new ATOM 0 HA LEU A 7 -2.907 10.977 -14.511 1.00 64.44 H new ATOM 0 HB2 LEU A 7 -4.789 8.900 -13.373 1.00 14.03 H new ATOM 0 HB3 LEU A 7 -4.907 9.407 -15.046 1.00 14.03 H new ATOM 0 HG LEU A 7 -2.347 8.315 -13.861 1.00 52.54 H new ATOM 0 HD11 LEU A 7 -2.960 6.150 -14.859 1.00 34.33 H new ATOM 0 HD12 LEU A 7 -4.101 6.636 -13.582 1.00 34.33 H new ATOM 0 HD13 LEU A 7 -4.556 6.807 -15.294 1.00 34.33 H new ATOM 0 HD21 LEU A 7 -1.814 7.855 -16.224 1.00 31.40 H new ATOM 0 HD22 LEU A 7 -3.365 8.580 -16.711 1.00 31.40 H new ATOM 0 HD23 LEU A 7 -2.115 9.586 -15.941 1.00 31.40 H new ATOM 105 N GLN A 8 -5.684 11.753 -12.919 1.00 63.20 N ATOM 106 CA GLN A 8 -6.804 12.686 -12.903 1.00 72.40 C ATOM 107 C GLN A 8 -7.010 13.265 -11.507 1.00 73.03 C ATOM 108 O GLN A 8 -8.103 13.185 -10.948 1.00 13.32 O ATOM 109 CB GLN A 8 -8.082 11.989 -13.373 1.00 32.44 C ATOM 110 CG GLN A 8 -8.022 11.515 -14.816 1.00 50.50 C ATOM 111 CD GLN A 8 -9.110 10.513 -15.147 1.00 62.15 C ATOM 112 OE1 GLN A 8 -9.673 9.874 -14.258 1.00 61.13 O ATOM 113 NE2 GLN A 8 -9.412 10.370 -16.433 1.00 22.14 N ATOM 0 H GLN A 8 -5.621 11.155 -12.095 1.00 63.20 H new ATOM 0 HA GLN A 8 -6.573 13.504 -13.585 1.00 72.40 H new ATOM 0 HB2 GLN A 8 -8.278 11.134 -12.726 1.00 32.44 H new ATOM 0 HB3 GLN A 8 -8.922 12.674 -13.259 1.00 32.44 H new ATOM 0 HG2 GLN A 8 -8.110 12.374 -15.481 1.00 50.50 H new ATOM 0 HG3 GLN A 8 -7.048 11.064 -15.006 1.00 50.50 H new ATOM 0 HE21 GLN A 8 -8.920 10.920 -17.137 1.00 22.14 H new ATOM 0 HE22 GLN A 8 -10.136 9.710 -16.716 1.00 22.14 H new ATOM 122 N GLU A 9 -5.952 13.847 -10.951 1.00 54.24 N ATOM 123 CA GLU A 9 -6.018 14.439 -9.620 1.00 74.41 C ATOM 124 C GLU A 9 -5.678 15.925 -9.668 1.00 2.33 C ATOM 125 O GLU A 9 -4.790 16.394 -8.955 1.00 14.14 O ATOM 126 CB GLU A 9 -5.063 13.715 -8.669 1.00 1.44 C ATOM 127 CG GLU A 9 -3.629 13.666 -9.168 1.00 24.12 C ATOM 128 CD GLU A 9 -2.662 13.157 -8.116 1.00 72.42 C ATOM 129 OE1 GLU A 9 -3.130 12.601 -7.100 1.00 75.04 O ATOM 130 OE2 GLU A 9 -1.438 13.314 -8.308 1.00 75.34 O ATOM 0 H GLU A 9 -5.040 13.921 -11.401 1.00 54.24 H new ATOM 0 HA GLU A 9 -7.038 14.330 -9.251 1.00 74.41 H new ATOM 0 HB2 GLU A 9 -5.084 14.211 -7.699 1.00 1.44 H new ATOM 0 HB3 GLU A 9 -5.420 12.697 -8.514 1.00 1.44 H new ATOM 0 HG2 GLU A 9 -3.576 13.023 -10.047 1.00 24.12 H new ATOM 0 HG3 GLU A 9 -3.324 14.664 -9.484 1.00 24.12 H new ATOM 137 N LYS A 10 -6.389 16.662 -10.514 1.00 12.30 N ATOM 138 CA LYS A 10 -6.165 18.096 -10.656 1.00 43.01 C ATOM 139 C LYS A 10 -6.824 18.866 -9.516 1.00 25.42 C ATOM 140 O LYS A 10 -7.677 19.723 -9.745 1.00 71.11 O ATOM 141 CB LYS A 10 -6.710 18.588 -11.999 1.00 64.30 C ATOM 142 CG LYS A 10 -5.744 18.393 -13.155 1.00 71.22 C ATOM 143 CD LYS A 10 -6.423 18.627 -14.494 1.00 71.13 C ATOM 144 CE LYS A 10 -6.730 17.315 -15.200 1.00 40.14 C ATOM 145 NZ LYS A 10 -5.595 16.866 -16.054 1.00 33.12 N ATOM 0 H LYS A 10 -7.126 16.290 -11.113 1.00 12.30 H new ATOM 0 HA LYS A 10 -5.090 18.275 -10.619 1.00 43.01 H new ATOM 0 HB2 LYS A 10 -7.639 18.062 -12.220 1.00 64.30 H new ATOM 0 HB3 LYS A 10 -6.956 19.647 -11.916 1.00 64.30 H new ATOM 0 HG2 LYS A 10 -4.903 19.078 -13.048 1.00 71.22 H new ATOM 0 HG3 LYS A 10 -5.337 17.382 -13.124 1.00 71.22 H new ATOM 0 HD2 LYS A 10 -7.347 19.185 -14.342 1.00 71.13 H new ATOM 0 HD3 LYS A 10 -5.781 19.240 -15.126 1.00 71.13 H new ATOM 0 HE2 LYS A 10 -6.953 16.547 -14.459 1.00 40.14 H new ATOM 0 HE3 LYS A 10 -7.622 17.433 -15.815 1.00 40.14 H new ATOM 0 HZ1 LYS A 10 -5.843 15.969 -16.518 1.00 33.12 H new ATOM 0 HZ2 LYS A 10 -5.398 17.587 -16.777 1.00 33.12 H new ATOM 0 HZ3 LYS A 10 -4.750 16.728 -15.464 1.00 33.12 H new ATOM 159 N ILE A 11 -6.421 18.555 -8.288 1.00 61.12 N ATOM 160 CA ILE A 11 -6.971 19.220 -7.113 1.00 62.43 C ATOM 161 C ILE A 11 -6.894 20.736 -7.253 1.00 42.12 C ATOM 162 O ILE A 11 -5.847 21.286 -7.594 1.00 64.11 O ATOM 163 CB ILE A 11 -6.233 18.796 -5.830 1.00 21.43 C ATOM 164 CG1 ILE A 11 -6.863 19.467 -4.608 1.00 31.13 C ATOM 165 CG2 ILE A 11 -4.755 19.144 -5.929 1.00 32.43 C ATOM 166 CD1 ILE A 11 -8.276 19.006 -4.326 1.00 60.44 C ATOM 0 H ILE A 11 -5.716 17.847 -8.081 1.00 61.12 H new ATOM 0 HA ILE A 11 -8.015 18.917 -7.039 1.00 62.43 H new ATOM 0 HB ILE A 11 -6.325 17.716 -5.716 1.00 21.43 H new ATOM 0 HG12 ILE A 11 -6.243 19.267 -3.734 1.00 31.13 H new ATOM 0 HG13 ILE A 11 -6.865 20.547 -4.757 1.00 31.13 H new ATOM 0 HG21 ILE A 11 -4.247 18.838 -5.014 1.00 32.43 H new ATOM 0 HG22 ILE A 11 -4.315 18.624 -6.780 1.00 32.43 H new ATOM 0 HG23 ILE A 11 -4.643 20.220 -6.064 1.00 32.43 H new ATOM 0 HD11 ILE A 11 -8.659 19.523 -3.446 1.00 60.44 H new ATOM 0 HD12 ILE A 11 -8.910 19.231 -5.184 1.00 60.44 H new ATOM 0 HD13 ILE A 11 -8.279 17.931 -4.145 1.00 60.44 H new ATOM 178 N SER A 12 -8.010 21.407 -6.986 1.00 23.00 N ATOM 179 CA SER A 12 -8.070 22.861 -7.084 1.00 23.41 C ATOM 180 C SER A 12 -7.804 23.320 -8.514 1.00 54.23 C ATOM 181 O SER A 12 -6.662 23.331 -8.974 1.00 71.14 O ATOM 182 CB SER A 12 -7.054 23.499 -6.134 1.00 53.23 C ATOM 183 OG SER A 12 -6.447 24.634 -6.726 1.00 4.51 O ATOM 0 H SER A 12 -8.885 20.967 -6.700 1.00 23.00 H new ATOM 0 HA SER A 12 -9.073 23.179 -6.799 1.00 23.41 H new ATOM 0 HB2 SER A 12 -7.550 23.789 -5.208 1.00 53.23 H new ATOM 0 HB3 SER A 12 -6.289 22.769 -5.871 1.00 53.23 H new ATOM 0 HG SER A 12 -5.803 25.025 -6.099 1.00 4.51 H new ATOM 189 N THR A 13 -8.869 23.700 -9.214 1.00 41.03 N ATOM 190 CA THR A 13 -8.753 24.160 -10.592 1.00 71.45 C ATOM 191 C THR A 13 -9.599 25.405 -10.830 1.00 10.55 C ATOM 192 O THR A 13 -10.367 25.471 -11.788 1.00 55.23 O ATOM 193 CB THR A 13 -9.182 23.065 -11.588 1.00 21.13 C ATOM 194 OG1 THR A 13 -9.061 23.549 -12.930 1.00 74.40 O ATOM 195 CG2 THR A 13 -10.616 22.628 -11.327 1.00 43.43 C ATOM 0 H THR A 13 -9.821 23.698 -8.849 1.00 41.03 H new ATOM 0 HA THR A 13 -7.703 24.401 -10.757 1.00 71.45 H new ATOM 0 HB THR A 13 -8.527 22.204 -11.453 1.00 21.13 H new ATOM 0 HG1 THR A 13 -9.650 24.323 -13.053 1.00 74.40 H new ATOM 0 HG21 THR A 13 -10.897 21.855 -12.042 1.00 43.43 H new ATOM 0 HG22 THR A 13 -10.697 22.233 -10.314 1.00 43.43 H new ATOM 0 HG23 THR A 13 -11.283 23.483 -11.437 1.00 43.43 H new ATOM 203 N GLU A 14 -9.452 26.392 -9.950 1.00 65.52 N ATOM 204 CA GLU A 14 -10.203 27.636 -10.065 1.00 73.43 C ATOM 205 C GLU A 14 -9.899 28.566 -8.894 1.00 62.35 C ATOM 206 O GLU A 14 -9.960 29.789 -9.026 1.00 71.11 O ATOM 207 CB GLU A 14 -11.705 27.347 -10.124 1.00 63.42 C ATOM 208 CG GLU A 14 -12.352 27.752 -11.438 1.00 3.42 C ATOM 209 CD GLU A 14 -12.769 29.210 -11.457 1.00 35.15 C ATOM 210 OE1 GLU A 14 -13.894 29.511 -11.004 1.00 44.44 O ATOM 211 OE2 GLU A 14 -11.971 30.049 -11.924 1.00 11.24 O ATOM 0 H GLU A 14 -8.820 26.353 -9.150 1.00 65.52 H new ATOM 0 HA GLU A 14 -9.898 28.130 -10.987 1.00 73.43 H new ATOM 0 HB2 GLU A 14 -11.868 26.282 -9.962 1.00 63.42 H new ATOM 0 HB3 GLU A 14 -12.200 27.873 -9.308 1.00 63.42 H new ATOM 0 HG2 GLU A 14 -11.654 27.567 -12.255 1.00 3.42 H new ATOM 0 HG3 GLU A 14 -13.226 27.126 -11.617 1.00 3.42 H new ATOM 218 N LEU A 15 -9.571 27.978 -7.749 1.00 72.53 N ATOM 219 CA LEU A 15 -9.257 28.752 -6.554 1.00 13.23 C ATOM 220 C LEU A 15 -10.528 29.121 -5.795 1.00 1.32 C ATOM 221 O LEU A 15 -10.495 29.360 -4.589 1.00 21.05 O ATOM 222 CB LEU A 15 -8.488 30.020 -6.931 1.00 34.34 C ATOM 223 CG LEU A 15 -7.459 30.508 -5.911 1.00 41.51 C ATOM 224 CD1 LEU A 15 -6.109 29.854 -6.160 1.00 42.52 C ATOM 225 CD2 LEU A 15 -7.337 32.024 -5.961 1.00 43.53 C ATOM 0 H LEU A 15 -9.516 26.967 -7.623 1.00 72.53 H new ATOM 0 HA LEU A 15 -8.634 28.136 -5.905 1.00 13.23 H new ATOM 0 HB2 LEU A 15 -7.977 29.843 -7.877 1.00 34.34 H new ATOM 0 HB3 LEU A 15 -9.208 30.820 -7.103 1.00 34.34 H new ATOM 0 HG LEU A 15 -7.799 30.223 -4.915 1.00 41.51 H new ATOM 0 HD11 LEU A 15 -5.389 30.213 -5.424 1.00 42.52 H new ATOM 0 HD12 LEU A 15 -6.207 28.772 -6.073 1.00 42.52 H new ATOM 0 HD13 LEU A 15 -5.761 30.107 -7.162 1.00 42.52 H new ATOM 0 HD21 LEU A 15 -6.600 32.354 -5.229 1.00 43.53 H new ATOM 0 HD22 LEU A 15 -7.020 32.331 -6.958 1.00 43.53 H new ATOM 0 HD23 LEU A 15 -8.303 32.474 -5.733 1.00 43.53 H new ATOM 237 N ASN A 16 -11.647 29.164 -6.510 1.00 51.05 N ATOM 238 CA ASN A 16 -12.930 29.502 -5.904 1.00 44.30 C ATOM 239 C ASN A 16 -13.716 28.242 -5.557 1.00 13.14 C ATOM 240 O ASN A 16 -14.267 28.124 -4.463 1.00 30.10 O ATOM 241 CB ASN A 16 -13.748 30.383 -6.850 1.00 51.30 C ATOM 242 CG ASN A 16 -14.118 31.715 -6.225 1.00 62.32 C ATOM 243 OD1 ASN A 16 -15.268 31.937 -5.847 1.00 1.34 O ATOM 244 ND2 ASN A 16 -13.141 32.608 -6.115 1.00 32.21 N ATOM 0 H ASN A 16 -11.692 28.969 -7.510 1.00 51.05 H new ATOM 0 HA ASN A 16 -12.735 30.052 -4.983 1.00 44.30 H new ATOM 0 HB2 ASN A 16 -13.178 30.559 -7.762 1.00 51.30 H new ATOM 0 HB3 ASN A 16 -14.657 29.855 -7.139 1.00 51.30 H new ATOM 0 HD21 ASN A 16 -13.329 33.522 -5.703 1.00 32.21 H new ATOM 0 HD22 ASN A 16 -12.202 32.380 -6.442 1.00 32.21 H new ATOM 251 N ASN A 17 -13.763 27.303 -6.496 1.00 34.33 N ATOM 252 CA ASN A 17 -14.482 26.051 -6.289 1.00 74.22 C ATOM 253 C ASN A 17 -13.676 25.099 -5.411 1.00 61.23 C ATOM 254 O ASN A 17 -14.230 24.199 -4.780 1.00 21.41 O ATOM 255 CB ASN A 17 -14.789 25.387 -7.633 1.00 71.11 C ATOM 256 CG ASN A 17 -15.441 26.342 -8.614 1.00 72.13 C ATOM 257 OD1 ASN A 17 -14.939 26.553 -9.718 1.00 55.35 O ATOM 258 ND2 ASN A 17 -16.566 26.924 -8.214 1.00 45.43 N ATOM 0 H ASN A 17 -13.312 27.385 -7.407 1.00 34.33 H new ATOM 0 HA ASN A 17 -15.419 26.279 -5.781 1.00 74.22 H new ATOM 0 HB2 ASN A 17 -13.865 25.002 -8.064 1.00 71.11 H new ATOM 0 HB3 ASN A 17 -15.446 24.532 -7.471 1.00 71.11 H new ATOM 0 HD21 ASN A 17 -17.050 27.576 -8.831 1.00 45.43 H new ATOM 0 HD22 ASN A 17 -16.946 26.719 -7.290 1.00 45.43 H new ATOM 265 N LYS A 18 -12.364 25.304 -5.376 1.00 4.14 N ATOM 266 CA LYS A 18 -11.479 24.467 -4.574 1.00 72.52 C ATOM 267 C LYS A 18 -11.968 24.383 -3.132 1.00 35.41 C ATOM 268 O LYS A 18 -11.831 23.348 -2.480 1.00 62.33 O ATOM 269 CB LYS A 18 -10.052 25.017 -4.608 1.00 42.55 C ATOM 270 CG LYS A 18 -9.891 26.336 -3.871 1.00 61.34 C ATOM 271 CD LYS A 18 -9.381 26.124 -2.456 1.00 11.44 C ATOM 272 CE LYS A 18 -7.947 25.618 -2.449 1.00 42.24 C ATOM 273 NZ LYS A 18 -6.995 26.655 -1.963 1.00 20.24 N ATOM 0 H LYS A 18 -11.889 26.043 -5.894 1.00 4.14 H new ATOM 0 HA LYS A 18 -11.485 23.464 -5.000 1.00 72.52 H new ATOM 0 HB2 LYS A 18 -9.377 24.281 -4.170 1.00 42.55 H new ATOM 0 HB3 LYS A 18 -9.748 25.151 -5.646 1.00 42.55 H new ATOM 0 HG2 LYS A 18 -9.198 26.977 -4.417 1.00 61.34 H new ATOM 0 HG3 LYS A 18 -10.849 26.856 -3.840 1.00 61.34 H new ATOM 0 HD2 LYS A 18 -9.440 27.061 -1.903 1.00 11.44 H new ATOM 0 HD3 LYS A 18 -10.022 25.409 -1.940 1.00 11.44 H new ATOM 0 HE2 LYS A 18 -7.877 24.735 -1.814 1.00 42.24 H new ATOM 0 HE3 LYS A 18 -7.666 25.310 -3.456 1.00 42.24 H new ATOM 0 HZ1 LYS A 18 -6.029 26.271 -1.973 1.00 20.24 H new ATOM 0 HZ2 LYS A 18 -7.043 27.488 -2.583 1.00 20.24 H new ATOM 0 HZ3 LYS A 18 -7.248 26.931 -0.993 1.00 20.24 H new ATOM 287 N GLN A 19 -12.541 25.477 -2.641 1.00 42.23 N ATOM 288 CA GLN A 19 -13.051 25.526 -1.276 1.00 60.52 C ATOM 289 C GLN A 19 -14.203 24.543 -1.091 1.00 0.54 C ATOM 290 O GLN A 19 -14.256 23.813 -0.101 1.00 64.30 O ATOM 291 CB GLN A 19 -13.513 26.943 -0.932 1.00 24.43 C ATOM 292 CG GLN A 19 -13.456 27.256 0.555 1.00 42.43 C ATOM 293 CD GLN A 19 -12.960 28.661 0.836 1.00 44.00 C ATOM 294 OE1 GLN A 19 -13.360 29.618 0.172 1.00 31.15 O ATOM 295 NE2 GLN A 19 -12.082 28.792 1.824 1.00 15.43 N ATOM 0 H GLN A 19 -12.664 26.341 -3.168 1.00 42.23 H new ATOM 0 HA GLN A 19 -12.243 25.242 -0.602 1.00 60.52 H new ATOM 0 HB2 GLN A 19 -12.892 27.660 -1.470 1.00 24.43 H new ATOM 0 HB3 GLN A 19 -14.535 27.079 -1.285 1.00 24.43 H new ATOM 0 HG2 GLN A 19 -14.449 27.132 0.987 1.00 42.43 H new ATOM 0 HG3 GLN A 19 -12.801 26.538 1.049 1.00 42.43 H new ATOM 0 HE21 GLN A 19 -11.778 27.972 2.348 1.00 15.43 H new ATOM 0 HE22 GLN A 19 -11.712 29.713 2.058 1.00 15.43 H new ATOM 304 N TYR A 20 -15.124 24.532 -2.048 1.00 1.13 N ATOM 305 CA TYR A 20 -16.277 23.642 -1.988 1.00 70.33 C ATOM 306 C TYR A 20 -15.856 22.191 -2.201 1.00 75.34 C ATOM 307 O TYR A 20 -16.276 21.298 -1.466 1.00 22.31 O ATOM 308 CB TYR A 20 -17.313 24.044 -3.039 1.00 61.35 C ATOM 309 CG TYR A 20 -17.862 25.439 -2.846 1.00 12.03 C ATOM 310 CD1 TYR A 20 -18.259 25.883 -1.590 1.00 65.13 C ATOM 311 CD2 TYR A 20 -17.984 26.314 -3.918 1.00 62.14 C ATOM 312 CE1 TYR A 20 -18.762 27.157 -1.409 1.00 24.40 C ATOM 313 CE2 TYR A 20 -18.484 27.590 -3.746 1.00 74.01 C ATOM 314 CZ TYR A 20 -18.872 28.006 -2.490 1.00 13.43 C ATOM 315 OH TYR A 20 -19.372 29.276 -2.313 1.00 44.50 O ATOM 0 H TYR A 20 -15.095 25.129 -2.874 1.00 1.13 H new ATOM 0 HA TYR A 20 -16.722 23.731 -0.997 1.00 70.33 H new ATOM 0 HB2 TYR A 20 -16.860 23.974 -4.028 1.00 61.35 H new ATOM 0 HB3 TYR A 20 -18.138 23.332 -3.015 1.00 61.35 H new ATOM 0 HD1 TYR A 20 -18.173 25.221 -0.741 1.00 65.13 H new ATOM 0 HD2 TYR A 20 -17.683 25.991 -4.903 1.00 62.14 H new ATOM 0 HE1 TYR A 20 -19.067 27.486 -0.427 1.00 24.40 H new ATOM 0 HE2 TYR A 20 -18.571 28.258 -4.590 1.00 74.01 H new ATOM 0 HH TYR A 20 -19.383 29.746 -3.173 1.00 44.50 H new ATOM 325 N GLU A 21 -15.024 21.965 -3.213 1.00 54.03 N ATOM 326 CA GLU A 21 -14.547 20.623 -3.524 1.00 23.21 C ATOM 327 C GLU A 21 -13.726 20.056 -2.369 1.00 12.44 C ATOM 328 O GLU A 21 -13.915 18.909 -1.962 1.00 0.23 O ATOM 329 CB GLU A 21 -13.705 20.640 -4.801 1.00 61.14 C ATOM 330 CG GLU A 21 -14.530 20.558 -6.075 1.00 24.41 C ATOM 331 CD GLU A 21 -13.828 21.182 -7.266 1.00 31.14 C ATOM 332 OE1 GLU A 21 -12.697 20.757 -7.578 1.00 65.32 O ATOM 333 OE2 GLU A 21 -14.412 22.096 -7.885 1.00 1.12 O ATOM 0 H GLU A 21 -14.667 22.694 -3.831 1.00 54.03 H new ATOM 0 HA GLU A 21 -15.416 19.983 -3.678 1.00 23.21 H new ATOM 0 HB2 GLU A 21 -13.110 21.553 -4.822 1.00 61.14 H new ATOM 0 HB3 GLU A 21 -13.006 19.804 -4.776 1.00 61.14 H new ATOM 0 HG2 GLU A 21 -14.750 19.513 -6.294 1.00 24.41 H new ATOM 0 HG3 GLU A 21 -15.485 21.059 -5.918 1.00 24.41 H new ATOM 340 N LEU A 22 -12.815 20.868 -1.845 1.00 5.24 N ATOM 341 CA LEU A 22 -11.964 20.449 -0.736 1.00 43.32 C ATOM 342 C LEU A 22 -12.781 20.264 0.538 1.00 13.52 C ATOM 343 O LEU A 22 -12.476 19.405 1.365 1.00 23.01 O ATOM 344 CB LEU A 22 -10.856 21.478 -0.500 1.00 72.15 C ATOM 345 CG LEU A 22 -9.785 21.089 0.519 1.00 41.01 C ATOM 346 CD1 LEU A 22 -8.402 21.461 0.008 1.00 43.01 C ATOM 347 CD2 LEU A 22 -10.057 21.756 1.859 1.00 33.35 C ATOM 0 H LEU A 22 -12.646 21.820 -2.170 1.00 5.24 H new ATOM 0 HA LEU A 22 -11.513 19.492 -0.998 1.00 43.32 H new ATOM 0 HB2 LEU A 22 -10.366 21.680 -1.453 1.00 72.15 H new ATOM 0 HB3 LEU A 22 -11.317 22.411 -0.175 1.00 72.15 H new ATOM 0 HG LEU A 22 -9.820 20.009 0.659 1.00 41.01 H new ATOM 0 HD11 LEU A 22 -7.653 21.177 0.747 1.00 43.01 H new ATOM 0 HD12 LEU A 22 -8.207 20.937 -0.928 1.00 43.01 H new ATOM 0 HD13 LEU A 22 -8.354 22.537 -0.162 1.00 43.01 H new ATOM 0 HD21 LEU A 22 -9.285 21.468 2.572 1.00 33.35 H new ATOM 0 HD22 LEU A 22 -10.050 22.839 1.734 1.00 33.35 H new ATOM 0 HD23 LEU A 22 -11.031 21.440 2.232 1.00 33.35 H new ATOM 359 N PHE A 23 -13.823 21.075 0.689 1.00 13.23 N ATOM 360 CA PHE A 23 -14.686 21.000 1.862 1.00 13.44 C ATOM 361 C PHE A 23 -15.277 19.602 2.015 1.00 63.30 C ATOM 362 O PHE A 23 -15.203 18.999 3.085 1.00 33.04 O ATOM 363 CB PHE A 23 -15.811 22.033 1.761 1.00 72.31 C ATOM 364 CG PHE A 23 -15.632 23.207 2.680 1.00 45.33 C ATOM 365 CD1 PHE A 23 -14.401 23.833 2.793 1.00 3.20 C ATOM 366 CD2 PHE A 23 -16.694 23.685 3.430 1.00 4.14 C ATOM 367 CE1 PHE A 23 -14.232 24.915 3.637 1.00 30.43 C ATOM 368 CE2 PHE A 23 -16.531 24.766 4.276 1.00 51.21 C ATOM 369 CZ PHE A 23 -15.299 25.381 4.380 1.00 24.15 C ATOM 0 H PHE A 23 -14.090 21.791 0.014 1.00 13.23 H new ATOM 0 HA PHE A 23 -14.080 21.217 2.742 1.00 13.44 H new ATOM 0 HB2 PHE A 23 -15.872 22.392 0.734 1.00 72.31 H new ATOM 0 HB3 PHE A 23 -16.761 21.547 1.986 1.00 72.31 H new ATOM 0 HD1 PHE A 23 -13.563 23.471 2.215 1.00 3.20 H new ATOM 0 HD2 PHE A 23 -17.660 23.208 3.353 1.00 4.14 H new ATOM 0 HE1 PHE A 23 -13.268 25.395 3.715 1.00 30.43 H new ATOM 0 HE2 PHE A 23 -17.367 25.129 4.855 1.00 51.21 H new ATOM 0 HZ PHE A 23 -15.170 26.225 5.041 1.00 24.15 H new ATOM 379 N MET A 24 -15.862 19.092 0.936 1.00 15.32 N ATOM 380 CA MET A 24 -16.465 17.764 0.950 1.00 52.44 C ATOM 381 C MET A 24 -15.392 16.680 0.934 1.00 13.21 C ATOM 382 O MET A 24 -15.537 15.640 1.577 1.00 43.11 O ATOM 383 CB MET A 24 -17.398 17.592 -0.251 1.00 10.32 C ATOM 384 CG MET A 24 -18.854 17.389 0.135 1.00 31.14 C ATOM 385 SD MET A 24 -19.618 18.890 0.780 1.00 22.42 S ATOM 386 CE MET A 24 -19.732 18.490 2.522 1.00 20.24 C ATOM 0 H MET A 24 -15.931 19.578 0.042 1.00 15.32 H new ATOM 0 HA MET A 24 -17.044 17.664 1.868 1.00 52.44 H new ATOM 0 HB2 MET A 24 -17.319 18.471 -0.891 1.00 10.32 H new ATOM 0 HB3 MET A 24 -17.064 16.738 -0.841 1.00 10.32 H new ATOM 0 HG2 MET A 24 -19.413 17.047 -0.736 1.00 31.14 H new ATOM 0 HG3 MET A 24 -18.920 16.601 0.885 1.00 31.14 H new ATOM 0 HE1 MET A 24 -20.775 18.321 2.789 1.00 20.24 H new ATOM 0 HE2 MET A 24 -19.155 17.588 2.727 1.00 20.24 H new ATOM 0 HE3 MET A 24 -19.335 19.316 3.112 1.00 20.24 H new ATOM 396 N LYS A 25 -14.316 16.930 0.196 1.00 71.41 N ATOM 397 CA LYS A 25 -13.218 15.976 0.097 1.00 63.20 C ATOM 398 C LYS A 25 -12.615 15.695 1.470 1.00 14.20 C ATOM 399 O LYS A 25 -12.431 14.540 1.853 1.00 13.02 O ATOM 400 CB LYS A 25 -12.137 16.507 -0.847 1.00 2.51 C ATOM 401 CG LYS A 25 -10.859 15.686 -0.833 1.00 33.11 C ATOM 402 CD LYS A 25 -9.691 16.481 -0.275 1.00 41.23 C ATOM 403 CE LYS A 25 -9.057 17.362 -1.341 1.00 60.01 C ATOM 404 NZ LYS A 25 -7.753 17.924 -0.893 1.00 10.25 N ATOM 0 H LYS A 25 -14.181 17.786 -0.343 1.00 71.41 H new ATOM 0 HA LYS A 25 -13.616 15.043 -0.303 1.00 63.20 H new ATOM 0 HB2 LYS A 25 -12.533 16.530 -1.862 1.00 2.51 H new ATOM 0 HB3 LYS A 25 -11.901 17.535 -0.573 1.00 2.51 H new ATOM 0 HG2 LYS A 25 -11.009 14.788 -0.233 1.00 33.11 H new ATOM 0 HG3 LYS A 25 -10.626 15.357 -1.846 1.00 33.11 H new ATOM 0 HD2 LYS A 25 -10.034 17.100 0.554 1.00 41.23 H new ATOM 0 HD3 LYS A 25 -8.943 15.797 0.126 1.00 41.23 H new ATOM 0 HE2 LYS A 25 -8.908 16.781 -2.251 1.00 60.01 H new ATOM 0 HE3 LYS A 25 -9.737 18.177 -1.590 1.00 60.01 H new ATOM 0 HZ1 LYS A 25 -7.354 18.518 -1.647 1.00 10.25 H new ATOM 0 HZ2 LYS A 25 -7.898 18.500 -0.039 1.00 10.25 H new ATOM 0 HZ3 LYS A 25 -7.095 17.147 -0.679 1.00 10.25 H new ATOM 418 N SER A 26 -12.312 16.759 2.207 1.00 41.13 N ATOM 419 CA SER A 26 -11.728 16.627 3.537 1.00 73.25 C ATOM 420 C SER A 26 -12.685 15.904 4.480 1.00 10.42 C ATOM 421 O SER A 26 -12.262 15.126 5.336 1.00 70.32 O ATOM 422 CB SER A 26 -11.379 18.004 4.103 1.00 42.54 C ATOM 423 OG SER A 26 -10.249 17.934 4.955 1.00 33.14 O ATOM 0 H SER A 26 -12.461 17.722 1.906 1.00 41.13 H new ATOM 0 HA SER A 26 -10.816 16.037 3.450 1.00 73.25 H new ATOM 0 HB2 SER A 26 -11.179 18.697 3.285 1.00 42.54 H new ATOM 0 HB3 SER A 26 -12.231 18.400 4.656 1.00 42.54 H new ATOM 0 HG SER A 26 -10.045 18.827 5.302 1.00 33.14 H new ATOM 429 N LEU A 27 -13.977 16.168 4.318 1.00 1.14 N ATOM 430 CA LEU A 27 -14.996 15.544 5.155 1.00 21.12 C ATOM 431 C LEU A 27 -15.124 14.057 4.840 1.00 43.13 C ATOM 432 O LEU A 27 -15.103 13.218 5.740 1.00 23.44 O ATOM 433 CB LEU A 27 -16.344 16.237 4.954 1.00 54.43 C ATOM 434 CG LEU A 27 -16.706 17.312 5.979 1.00 13.23 C ATOM 435 CD1 LEU A 27 -15.714 18.463 5.919 1.00 53.31 C ATOM 436 CD2 LEU A 27 -18.124 17.815 5.748 1.00 61.42 C ATOM 0 H LEU A 27 -14.344 16.810 3.615 1.00 1.14 H new ATOM 0 HA LEU A 27 -14.691 15.651 6.196 1.00 21.12 H new ATOM 0 HB2 LEU A 27 -16.352 16.691 3.963 1.00 54.43 H new ATOM 0 HB3 LEU A 27 -17.125 15.477 4.963 1.00 54.43 H new ATOM 0 HG LEU A 27 -16.657 16.869 6.974 1.00 13.23 H new ATOM 0 HD11 LEU A 27 -15.988 19.218 6.656 1.00 53.31 H new ATOM 0 HD12 LEU A 27 -14.712 18.092 6.135 1.00 53.31 H new ATOM 0 HD13 LEU A 27 -15.730 18.905 4.923 1.00 53.31 H new ATOM 0 HD21 LEU A 27 -18.364 18.579 6.487 1.00 61.42 H new ATOM 0 HD22 LEU A 27 -18.201 18.241 4.748 1.00 61.42 H new ATOM 0 HD23 LEU A 27 -18.824 16.985 5.844 1.00 61.42 H new ATOM 448 N ILE A 28 -15.254 13.739 3.556 1.00 22.13 N ATOM 449 CA ILE A 28 -15.381 12.353 3.122 1.00 13.24 C ATOM 450 C ILE A 28 -14.109 11.566 3.417 1.00 32.42 C ATOM 451 O ILE A 28 -14.167 10.422 3.867 1.00 65.33 O ATOM 452 CB ILE A 28 -15.691 12.261 1.617 1.00 54.13 C ATOM 453 CG1 ILE A 28 -17.026 12.941 1.306 1.00 14.11 C ATOM 454 CG2 ILE A 28 -15.714 10.807 1.169 1.00 55.33 C ATOM 455 CD1 ILE A 28 -18.221 12.224 1.895 1.00 11.20 C ATOM 0 H ILE A 28 -15.274 14.422 2.799 1.00 22.13 H new ATOM 0 HA ILE A 28 -16.210 11.921 3.682 1.00 13.24 H new ATOM 0 HB ILE A 28 -14.905 12.778 1.067 1.00 54.13 H new ATOM 0 HG12 ILE A 28 -17.002 13.962 1.686 1.00 14.11 H new ATOM 0 HG13 ILE A 28 -17.148 13.006 0.225 1.00 14.11 H new ATOM 0 HG21 ILE A 28 -15.934 10.758 0.103 1.00 55.33 H new ATOM 0 HG22 ILE A 28 -14.742 10.352 1.360 1.00 55.33 H new ATOM 0 HG23 ILE A 28 -16.482 10.268 1.723 1.00 55.33 H new ATOM 0 HD11 ILE A 28 -19.133 12.762 1.635 1.00 11.20 H new ATOM 0 HD12 ILE A 28 -18.271 11.211 1.496 1.00 11.20 H new ATOM 0 HD13 ILE A 28 -18.122 12.182 2.980 1.00 11.20 H new ATOM 467 N GLU A 29 -12.962 12.187 3.162 1.00 12.42 N ATOM 468 CA GLU A 29 -11.676 11.544 3.402 1.00 43.15 C ATOM 469 C GLU A 29 -11.485 11.245 4.886 1.00 61.44 C ATOM 470 O GLU A 29 -10.884 10.236 5.254 1.00 40.32 O ATOM 471 CB GLU A 29 -10.535 12.431 2.898 1.00 12.43 C ATOM 472 CG GLU A 29 -10.205 12.224 1.430 1.00 52.03 C ATOM 473 CD GLU A 29 -11.423 11.859 0.604 1.00 35.30 C ATOM 474 OE1 GLU A 29 -11.773 10.660 0.561 1.00 4.31 O ATOM 475 OE2 GLU A 29 -12.027 12.770 0.001 1.00 52.21 O ATOM 0 H GLU A 29 -12.897 13.134 2.789 1.00 12.42 H new ATOM 0 HA GLU A 29 -11.663 10.601 2.855 1.00 43.15 H new ATOM 0 HB2 GLU A 29 -10.801 13.476 3.058 1.00 12.43 H new ATOM 0 HB3 GLU A 29 -9.643 12.234 3.493 1.00 12.43 H new ATOM 0 HG2 GLU A 29 -9.759 13.135 1.030 1.00 52.03 H new ATOM 0 HG3 GLU A 29 -9.458 11.436 1.337 1.00 52.03 H new ATOM 482 N ASN A 30 -12.001 12.129 5.733 1.00 41.21 N ATOM 483 CA ASN A 30 -11.887 11.961 7.177 1.00 23.10 C ATOM 484 C ASN A 30 -12.786 10.829 7.666 1.00 45.05 C ATOM 485 O ASN A 30 -12.326 9.902 8.334 1.00 40.13 O ATOM 486 CB ASN A 30 -12.252 13.263 7.894 1.00 61.45 C ATOM 487 CG ASN A 30 -11.151 14.302 7.801 1.00 32.32 C ATOM 488 OD1 ASN A 30 -10.022 13.994 7.419 1.00 31.11 O ATOM 489 ND2 ASN A 30 -11.476 15.540 8.152 1.00 14.51 N ATOM 0 H ASN A 30 -12.502 12.969 5.444 1.00 41.21 H new ATOM 0 HA ASN A 30 -10.853 11.705 7.407 1.00 23.10 H new ATOM 0 HB2 ASN A 30 -13.167 13.668 7.463 1.00 61.45 H new ATOM 0 HB3 ASN A 30 -12.460 13.051 8.943 1.00 61.45 H new ATOM 0 HD21 ASN A 30 -10.777 16.282 8.111 1.00 14.51 H new ATOM 0 HD22 ASN A 30 -12.425 15.750 8.463 1.00 14.51 H new ATOM 496 N CYS A 31 -14.067 10.911 7.327 1.00 14.23 N ATOM 497 CA CYS A 31 -15.032 9.894 7.731 1.00 24.14 C ATOM 498 C CYS A 31 -14.676 8.538 7.129 1.00 12.44 C ATOM 499 O CYS A 31 -14.672 7.521 7.822 1.00 34.43 O ATOM 500 CB CYS A 31 -16.443 10.301 7.305 1.00 63.12 C ATOM 501 SG CYS A 31 -17.026 11.839 8.056 1.00 73.32 S ATOM 0 H CYS A 31 -14.462 11.671 6.773 1.00 14.23 H new ATOM 0 HA CYS A 31 -15.000 9.809 8.817 1.00 24.14 H new ATOM 0 HB2 CYS A 31 -16.467 10.407 6.220 1.00 63.12 H new ATOM 0 HB3 CYS A 31 -17.134 9.499 7.562 1.00 63.12 H new ATOM 0 HG CYS A 31 -16.496 12.852 7.437 1.00 73.32 H new ATOM 507 N LYS A 32 -14.379 8.532 5.834 1.00 32.43 N ATOM 508 CA LYS A 32 -14.023 7.302 5.137 1.00 23.20 C ATOM 509 C LYS A 32 -12.762 6.684 5.733 1.00 4.40 C ATOM 510 O LYS A 32 -12.598 5.464 5.739 1.00 14.14 O ATOM 511 CB LYS A 32 -13.812 7.579 3.647 1.00 74.23 C ATOM 512 CG LYS A 32 -13.420 6.348 2.849 1.00 62.53 C ATOM 513 CD LYS A 32 -12.597 6.715 1.625 1.00 24.15 C ATOM 514 CE LYS A 32 -12.364 5.510 0.727 1.00 34.43 C ATOM 515 NZ LYS A 32 -12.502 5.857 -0.714 1.00 50.21 N ATOM 0 H LYS A 32 -14.378 9.365 5.246 1.00 32.43 H new ATOM 0 HA LYS A 32 -14.844 6.595 5.257 1.00 23.20 H new ATOM 0 HB2 LYS A 32 -14.729 7.995 3.230 1.00 74.23 H new ATOM 0 HB3 LYS A 32 -13.037 8.337 3.533 1.00 74.23 H new ATOM 0 HG2 LYS A 32 -12.849 5.669 3.482 1.00 62.53 H new ATOM 0 HG3 LYS A 32 -14.318 5.814 2.538 1.00 62.53 H new ATOM 0 HD2 LYS A 32 -13.109 7.496 1.062 1.00 24.15 H new ATOM 0 HD3 LYS A 32 -11.638 7.126 1.940 1.00 24.15 H new ATOM 0 HE2 LYS A 32 -11.367 5.108 0.910 1.00 34.43 H new ATOM 0 HE3 LYS A 32 -13.076 4.725 0.981 1.00 34.43 H new ATOM 0 HZ1 LYS A 32 -12.951 5.067 -1.220 1.00 50.21 H new ATOM 0 HZ2 LYS A 32 -13.090 6.709 -0.811 1.00 50.21 H new ATOM 0 HZ3 LYS A 32 -11.561 6.038 -1.119 1.00 50.21 H new ATOM 529 N LYS A 33 -11.872 7.535 6.235 1.00 73.34 N ATOM 530 CA LYS A 33 -10.627 7.073 6.836 1.00 44.50 C ATOM 531 C LYS A 33 -10.902 6.144 8.014 1.00 54.51 C ATOM 532 O LYS A 33 -10.038 5.367 8.419 1.00 2.42 O ATOM 533 CB LYS A 33 -9.788 8.267 7.299 1.00 25.52 C ATOM 534 CG LYS A 33 -8.568 8.526 6.431 1.00 14.23 C ATOM 535 CD LYS A 33 -7.279 8.214 7.173 1.00 73.43 C ATOM 536 CE LYS A 33 -6.915 9.322 8.149 1.00 61.14 C ATOM 537 NZ LYS A 33 -5.440 9.492 8.269 1.00 54.42 N ATOM 0 H LYS A 33 -11.991 8.548 6.237 1.00 73.34 H new ATOM 0 HA LYS A 33 -10.072 6.517 6.080 1.00 44.50 H new ATOM 0 HB2 LYS A 33 -10.414 9.159 7.307 1.00 25.52 H new ATOM 0 HB3 LYS A 33 -9.464 8.096 8.326 1.00 25.52 H new ATOM 0 HG2 LYS A 33 -8.626 7.917 5.529 1.00 14.23 H new ATOM 0 HG3 LYS A 33 -8.562 9.568 6.112 1.00 14.23 H new ATOM 0 HD2 LYS A 33 -7.387 7.273 7.713 1.00 73.43 H new ATOM 0 HD3 LYS A 33 -6.469 8.079 6.456 1.00 73.43 H new ATOM 0 HE2 LYS A 33 -7.363 10.259 7.818 1.00 61.14 H new ATOM 0 HE3 LYS A 33 -7.336 9.096 9.129 1.00 61.14 H new ATOM 0 HZ1 LYS A 33 -5.232 10.256 8.943 1.00 54.42 H new ATOM 0 HZ2 LYS A 33 -5.015 8.606 8.609 1.00 54.42 H new ATOM 0 HZ3 LYS A 33 -5.042 9.733 7.339 1.00 54.42 H new ATOM 551 N ARG A 34 -12.112 6.229 8.558 1.00 1.31 N ATOM 552 CA ARG A 34 -12.501 5.396 9.689 1.00 21.22 C ATOM 553 C ARG A 34 -13.062 4.059 9.212 1.00 0.32 C ATOM 554 O ARG A 34 -13.568 3.268 10.007 1.00 51.40 O ATOM 555 CB ARG A 34 -13.539 6.119 10.550 1.00 63.23 C ATOM 556 CG ARG A 34 -13.041 6.464 11.944 1.00 65.53 C ATOM 557 CD ARG A 34 -12.649 7.929 12.049 1.00 43.14 C ATOM 558 NE ARG A 34 -12.976 8.491 13.356 1.00 23.25 N ATOM 559 CZ ARG A 34 -12.350 8.153 14.479 1.00 75.33 C ATOM 560 NH1 ARG A 34 -11.370 7.261 14.452 1.00 31.43 N ATOM 561 NH2 ARG A 34 -12.705 8.708 15.630 1.00 33.04 N ATOM 0 H ARG A 34 -12.839 6.866 8.234 1.00 1.31 H new ATOM 0 HA ARG A 34 -11.612 5.204 10.289 1.00 21.22 H new ATOM 0 HB2 ARG A 34 -13.843 7.036 10.045 1.00 63.23 H new ATOM 0 HB3 ARG A 34 -14.427 5.493 10.635 1.00 63.23 H new ATOM 0 HG2 ARG A 34 -13.818 6.241 12.675 1.00 65.53 H new ATOM 0 HG3 ARG A 34 -12.183 5.838 12.190 1.00 65.53 H new ATOM 0 HD2 ARG A 34 -11.579 8.032 11.868 1.00 43.14 H new ATOM 0 HD3 ARG A 34 -13.160 8.497 11.272 1.00 43.14 H new ATOM 0 HE ARG A 34 -13.726 9.181 13.411 1.00 23.25 H new ATOM 0 HH11 ARG A 34 -11.095 6.832 13.568 1.00 31.43 H new ATOM 0 HH12 ARG A 34 -10.891 7.003 15.315 1.00 31.43 H new ATOM 0 HH21 ARG A 34 -13.459 9.395 15.654 1.00 33.04 H new ATOM 0 HH22 ARG A 34 -12.224 8.448 16.491 1.00 33.04 H new ATOM 575 N ASN A 35 -12.968 3.815 7.909 1.00 15.40 N ATOM 576 CA ASN A 35 -13.468 2.575 7.326 1.00 43.42 C ATOM 577 C ASN A 35 -12.442 1.972 6.371 1.00 72.11 C ATOM 578 O ASN A 35 -11.927 0.880 6.607 1.00 24.13 O ATOM 579 CB ASN A 35 -14.783 2.829 6.586 1.00 22.41 C ATOM 580 CG ASN A 35 -15.588 1.559 6.388 1.00 53.12 C ATOM 581 OD1 ASN A 35 -15.980 1.228 5.269 1.00 71.32 O ATOM 582 ND2 ASN A 35 -15.840 0.842 7.477 1.00 64.11 N ATOM 0 H ASN A 35 -12.551 4.459 7.237 1.00 15.40 H new ATOM 0 HA ASN A 35 -13.646 1.867 8.135 1.00 43.42 H new ATOM 0 HB2 ASN A 35 -15.379 3.550 7.146 1.00 22.41 H new ATOM 0 HB3 ASN A 35 -14.570 3.276 5.615 1.00 22.41 H new ATOM 0 HD21 ASN A 35 -16.378 -0.021 7.406 1.00 64.11 H new ATOM 0 HD22 ASN A 35 -15.495 1.155 8.385 1.00 64.11 H new ATOM 589 N MET A 36 -12.151 2.691 5.292 1.00 53.40 N ATOM 590 CA MET A 36 -11.186 2.228 4.302 1.00 21.42 C ATOM 591 C MET A 36 -10.350 3.389 3.772 1.00 33.53 C ATOM 592 O MET A 36 -10.577 3.898 2.674 1.00 30.54 O ATOM 593 CB MET A 36 -11.904 1.531 3.145 1.00 54.11 C ATOM 594 CG MET A 36 -12.101 0.040 3.362 1.00 74.55 C ATOM 595 SD MET A 36 -13.416 -0.644 2.334 1.00 14.25 S ATOM 596 CE MET A 36 -13.113 -2.399 2.520 1.00 71.33 C ATOM 0 H MET A 36 -12.570 3.597 5.081 1.00 53.40 H new ATOM 0 HA MET A 36 -10.519 1.516 4.788 1.00 21.42 H new ATOM 0 HB2 MET A 36 -12.877 2.000 2.997 1.00 54.11 H new ATOM 0 HB3 MET A 36 -11.333 1.684 2.229 1.00 54.11 H new ATOM 0 HG2 MET A 36 -11.168 -0.481 3.146 1.00 74.55 H new ATOM 0 HG3 MET A 36 -12.333 -0.143 4.411 1.00 74.55 H new ATOM 0 HE1 MET A 36 -13.848 -2.958 1.941 1.00 71.33 H new ATOM 0 HE2 MET A 36 -12.111 -2.635 2.161 1.00 71.33 H new ATOM 0 HE3 MET A 36 -13.195 -2.673 3.572 1.00 71.33 H new ATOM 606 N PRO A 37 -9.361 3.819 4.569 1.00 63.31 N ATOM 607 CA PRO A 37 -8.471 4.924 4.200 1.00 15.32 C ATOM 608 C PRO A 37 -7.527 4.553 3.062 1.00 5.43 C ATOM 609 O PRO A 37 -7.020 3.432 3.003 1.00 41.22 O ATOM 610 CB PRO A 37 -7.683 5.189 5.485 1.00 10.12 C ATOM 611 CG PRO A 37 -7.711 3.894 6.220 1.00 24.43 C ATOM 612 CD PRO A 37 -9.033 3.259 5.891 1.00 72.42 C ATOM 0 HA PRO A 37 -9.025 5.790 3.838 1.00 15.32 H new ATOM 0 HB2 PRO A 37 -6.661 5.498 5.266 1.00 10.12 H new ATOM 0 HB3 PRO A 37 -8.139 5.987 6.071 1.00 10.12 H new ATOM 0 HG2 PRO A 37 -6.884 3.254 5.914 1.00 24.43 H new ATOM 0 HG3 PRO A 37 -7.611 4.053 7.294 1.00 24.43 H new ATOM 0 HD2 PRO A 37 -8.960 2.172 5.860 1.00 72.42 H new ATOM 0 HD3 PRO A 37 -9.793 3.506 6.632 1.00 72.42 H new ATOM 620 N LEU A 38 -7.293 5.501 2.161 1.00 23.12 N ATOM 621 CA LEU A 38 -6.407 5.274 1.024 1.00 32.23 C ATOM 622 C LEU A 38 -4.945 5.385 1.443 1.00 64.25 C ATOM 623 O LEU A 38 -4.627 5.376 2.632 1.00 55.24 O ATOM 624 CB LEU A 38 -6.708 6.277 -0.090 1.00 54.23 C ATOM 625 CG LEU A 38 -7.209 5.686 -1.408 1.00 74.15 C ATOM 626 CD1 LEU A 38 -6.219 4.665 -1.946 1.00 61.21 C ATOM 627 CD2 LEU A 38 -8.581 5.054 -1.222 1.00 53.34 C ATOM 0 H LEU A 38 -7.704 6.434 2.196 1.00 23.12 H new ATOM 0 HA LEU A 38 -6.584 4.265 0.653 1.00 32.23 H new ATOM 0 HB2 LEU A 38 -7.454 6.982 0.276 1.00 54.23 H new ATOM 0 HB3 LEU A 38 -5.802 6.848 -0.292 1.00 54.23 H new ATOM 0 HG LEU A 38 -7.298 6.493 -2.135 1.00 74.15 H new ATOM 0 HD11 LEU A 38 -6.593 4.255 -2.884 1.00 61.21 H new ATOM 0 HD12 LEU A 38 -5.257 5.147 -2.118 1.00 61.21 H new ATOM 0 HD13 LEU A 38 -6.097 3.860 -1.222 1.00 61.21 H new ATOM 0 HD21 LEU A 38 -8.922 4.639 -2.170 1.00 53.34 H new ATOM 0 HD22 LEU A 38 -8.518 4.259 -0.479 1.00 53.34 H new ATOM 0 HD23 LEU A 38 -9.288 5.812 -0.883 1.00 53.34 H new ATOM 639 N GLN A 39 -4.059 5.491 0.457 1.00 11.01 N ATOM 640 CA GLN A 39 -2.630 5.606 0.724 1.00 72.52 C ATOM 641 C GLN A 39 -2.291 6.979 1.294 1.00 32.22 C ATOM 642 O GLN A 39 -1.382 7.114 2.113 1.00 15.44 O ATOM 643 CB GLN A 39 -1.830 5.360 -0.556 1.00 43.13 C ATOM 644 CG GLN A 39 -0.540 4.588 -0.329 1.00 2.42 C ATOM 645 CD GLN A 39 0.248 5.106 0.858 1.00 3.13 C ATOM 646 OE1 GLN A 39 0.272 4.485 1.921 1.00 31.31 O ATOM 647 NE2 GLN A 39 0.900 6.250 0.683 1.00 14.04 N ATOM 0 H GLN A 39 -4.306 5.500 -0.533 1.00 11.01 H new ATOM 0 HA GLN A 39 -2.362 4.851 1.463 1.00 72.52 H new ATOM 0 HB2 GLN A 39 -2.452 4.812 -1.263 1.00 43.13 H new ATOM 0 HB3 GLN A 39 -1.593 6.319 -1.017 1.00 43.13 H new ATOM 0 HG2 GLN A 39 -0.774 3.535 -0.174 1.00 2.42 H new ATOM 0 HG3 GLN A 39 0.078 4.649 -1.225 1.00 2.42 H new ATOM 0 HE21 GLN A 39 0.853 6.732 -0.215 1.00 14.04 H new ATOM 0 HE22 GLN A 39 1.448 6.647 1.446 1.00 14.04 H new ATOM 656 N SER A 40 -3.027 7.995 0.855 1.00 35.42 N ATOM 657 CA SER A 40 -2.802 9.359 1.319 1.00 60.40 C ATOM 658 C SER A 40 -3.995 10.250 0.986 1.00 64.23 C ATOM 659 O SER A 40 -4.812 10.561 1.852 1.00 31.24 O ATOM 660 CB SER A 40 -1.531 9.931 0.688 1.00 72.20 C ATOM 661 OG SER A 40 -0.374 9.469 1.363 1.00 10.23 O ATOM 0 H SER A 40 -3.784 7.899 0.179 1.00 35.42 H new ATOM 0 HA SER A 40 -2.682 9.333 2.402 1.00 60.40 H new ATOM 0 HB2 SER A 40 -1.482 9.644 -0.362 1.00 72.20 H new ATOM 0 HB3 SER A 40 -1.564 11.020 0.720 1.00 72.20 H new ATOM 0 HG SER A 40 -0.612 8.713 1.939 1.00 10.23 H new ATOM 667 N ILE A 41 -4.087 10.657 -0.276 1.00 5.03 N ATOM 668 CA ILE A 41 -5.179 11.511 -0.724 1.00 41.35 C ATOM 669 C ILE A 41 -5.944 10.867 -1.875 1.00 63.35 C ATOM 670 O ILE A 41 -5.533 10.923 -3.035 1.00 34.11 O ATOM 671 CB ILE A 41 -4.666 12.892 -1.174 1.00 3.24 C ATOM 672 CG1 ILE A 41 -3.834 13.537 -0.063 1.00 41.31 C ATOM 673 CG2 ILE A 41 -5.831 13.791 -1.560 1.00 32.43 C ATOM 674 CD1 ILE A 41 -4.612 13.779 1.212 1.00 65.24 C ATOM 0 H ILE A 41 -3.419 10.409 -1.005 1.00 5.03 H new ATOM 0 HA ILE A 41 -5.848 11.640 0.127 1.00 41.35 H new ATOM 0 HB ILE A 41 -4.030 12.759 -2.049 1.00 3.24 H new ATOM 0 HG12 ILE A 41 -2.980 12.897 0.158 1.00 41.31 H new ATOM 0 HG13 ILE A 41 -3.437 14.486 -0.422 1.00 41.31 H new ATOM 0 HG21 ILE A 41 -5.452 14.763 -1.876 1.00 32.43 H new ATOM 0 HG22 ILE A 41 -6.387 13.335 -2.379 1.00 32.43 H new ATOM 0 HG23 ILE A 41 -6.491 13.920 -0.702 1.00 32.43 H new ATOM 0 HD11 ILE A 41 -3.960 14.238 1.955 1.00 65.24 H new ATOM 0 HD12 ILE A 41 -5.451 14.444 1.006 1.00 65.24 H new ATOM 0 HD13 ILE A 41 -4.987 12.830 1.595 1.00 65.24 H new ATOM 686 N PRO A 42 -7.084 10.240 -1.551 1.00 14.24 N ATOM 687 CA PRO A 42 -7.933 9.575 -2.544 1.00 24.32 C ATOM 688 C PRO A 42 -8.627 10.566 -3.471 1.00 43.31 C ATOM 689 O PRO A 42 -9.498 11.323 -3.044 1.00 73.34 O ATOM 690 CB PRO A 42 -8.962 8.831 -1.690 1.00 31.35 C ATOM 691 CG PRO A 42 -9.021 9.598 -0.414 1.00 22.44 C ATOM 692 CD PRO A 42 -7.634 10.134 -0.189 1.00 31.14 C ATOM 0 HA PRO A 42 -7.356 8.926 -3.203 1.00 24.32 H new ATOM 0 HB2 PRO A 42 -9.935 8.801 -2.179 1.00 31.35 H new ATOM 0 HB3 PRO A 42 -8.660 7.798 -1.517 1.00 31.35 H new ATOM 0 HG2 PRO A 42 -9.747 10.409 -0.479 1.00 22.44 H new ATOM 0 HG3 PRO A 42 -9.331 8.958 0.412 1.00 22.44 H new ATOM 0 HD2 PRO A 42 -7.654 11.101 0.313 1.00 31.14 H new ATOM 0 HD3 PRO A 42 -7.040 9.464 0.433 1.00 31.14 H new ATOM 700 N GLU A 43 -8.234 10.556 -4.741 1.00 52.33 N ATOM 701 CA GLU A 43 -8.820 11.456 -5.728 1.00 43.11 C ATOM 702 C GLU A 43 -8.914 10.780 -7.093 1.00 35.44 C ATOM 703 O GLU A 43 -8.020 10.033 -7.490 1.00 60.50 O ATOM 704 CB GLU A 43 -7.990 12.737 -5.838 1.00 53.33 C ATOM 705 CG GLU A 43 -8.398 13.628 -6.999 1.00 52.44 C ATOM 706 CD GLU A 43 -7.826 15.028 -6.889 1.00 54.52 C ATOM 707 OE1 GLU A 43 -6.818 15.203 -6.175 1.00 4.44 O ATOM 708 OE2 GLU A 43 -8.389 15.949 -7.518 1.00 45.34 O ATOM 0 H GLU A 43 -7.513 9.936 -5.110 1.00 52.33 H new ATOM 0 HA GLU A 43 -9.827 11.710 -5.397 1.00 43.11 H new ATOM 0 HB2 GLU A 43 -8.081 13.300 -4.909 1.00 53.33 H new ATOM 0 HB3 GLU A 43 -6.939 12.471 -5.947 1.00 53.33 H new ATOM 0 HG2 GLU A 43 -8.065 13.176 -7.933 1.00 52.44 H new ATOM 0 HG3 GLU A 43 -9.486 13.686 -7.043 1.00 52.44 H new ATOM 715 N ILE A 44 -10.004 11.047 -7.804 1.00 73.33 N ATOM 716 CA ILE A 44 -10.216 10.465 -9.124 1.00 20.32 C ATOM 717 C ILE A 44 -11.057 11.385 -10.002 1.00 43.11 C ATOM 718 O ILE A 44 -12.201 11.697 -9.676 1.00 31.02 O ATOM 719 CB ILE A 44 -10.907 9.092 -9.029 1.00 72.42 C ATOM 720 CG1 ILE A 44 -9.984 8.077 -8.351 1.00 40.21 C ATOM 721 CG2 ILE A 44 -11.311 8.606 -10.413 1.00 75.30 C ATOM 722 CD1 ILE A 44 -8.727 7.782 -9.140 1.00 14.22 C ATOM 0 H ILE A 44 -10.754 11.662 -7.489 1.00 73.33 H new ATOM 0 HA ILE A 44 -9.232 10.337 -9.574 1.00 20.32 H new ATOM 0 HB ILE A 44 -11.808 9.196 -8.424 1.00 72.42 H new ATOM 0 HG12 ILE A 44 -9.706 8.452 -7.366 1.00 40.21 H new ATOM 0 HG13 ILE A 44 -10.532 7.148 -8.195 1.00 40.21 H new ATOM 0 HG21 ILE A 44 -11.798 7.634 -10.330 1.00 75.30 H new ATOM 0 HG22 ILE A 44 -12.001 9.320 -10.863 1.00 75.30 H new ATOM 0 HG23 ILE A 44 -10.424 8.514 -11.040 1.00 75.30 H new ATOM 0 HD11 ILE A 44 -8.121 7.055 -8.600 1.00 14.22 H new ATOM 0 HD12 ILE A 44 -8.996 7.377 -10.115 1.00 14.22 H new ATOM 0 HD13 ILE A 44 -8.157 8.702 -9.274 1.00 14.22 H new ATOM 734 N GLY A 45 -10.481 11.816 -11.121 1.00 23.25 N ATOM 735 CA GLY A 45 -11.192 12.695 -12.030 1.00 62.12 C ATOM 736 C GLY A 45 -10.823 14.152 -11.835 1.00 44.14 C ATOM 737 O GLY A 45 -9.962 14.680 -12.538 1.00 40.30 O ATOM 0 H GLY A 45 -9.535 11.572 -11.413 1.00 23.25 H new ATOM 0 HA2 GLY A 45 -10.975 12.403 -13.057 1.00 62.12 H new ATOM 0 HA3 GLY A 45 -12.265 12.573 -11.884 1.00 62.12 H new ATOM 741 N ASN A 46 -11.477 14.804 -10.879 1.00 65.04 N ATOM 742 CA ASN A 46 -11.214 16.210 -10.596 1.00 4.21 C ATOM 743 C ASN A 46 -12.107 16.714 -9.466 1.00 72.34 C ATOM 744 O ASN A 46 -12.611 17.836 -9.513 1.00 3.20 O ATOM 745 CB ASN A 46 -11.435 17.055 -11.852 1.00 13.30 C ATOM 746 CG ASN A 46 -10.346 18.091 -12.051 1.00 51.44 C ATOM 747 OD1 ASN A 46 -9.750 18.183 -13.125 1.00 24.45 O ATOM 748 ND2 ASN A 46 -10.081 18.878 -11.015 1.00 55.50 N ATOM 0 H ASN A 46 -12.193 14.381 -10.288 1.00 65.04 H new ATOM 0 HA ASN A 46 -10.174 16.303 -10.282 1.00 4.21 H new ATOM 0 HB2 ASN A 46 -11.475 16.402 -12.724 1.00 13.30 H new ATOM 0 HB3 ASN A 46 -12.401 17.556 -11.784 1.00 13.30 H new ATOM 0 HD21 ASN A 46 -9.359 19.594 -11.090 1.00 55.50 H new ATOM 0 HD22 ASN A 46 -10.600 18.766 -10.144 1.00 55.50 H new ATOM 755 N ARG A 47 -12.299 15.876 -8.453 1.00 22.13 N ATOM 756 CA ARG A 47 -13.132 16.235 -7.311 1.00 43.44 C ATOM 757 C ARG A 47 -14.580 16.449 -7.741 1.00 72.03 C ATOM 758 O ARG A 47 -14.904 17.434 -8.405 1.00 4.20 O ATOM 759 CB ARG A 47 -12.596 17.501 -6.640 1.00 43.45 C ATOM 760 CG ARG A 47 -11.122 17.421 -6.276 1.00 73.51 C ATOM 761 CD ARG A 47 -10.927 17.267 -4.776 1.00 31.31 C ATOM 762 NE ARG A 47 -11.801 16.241 -4.212 1.00 51.25 N ATOM 763 CZ ARG A 47 -11.526 14.942 -4.245 1.00 41.12 C ATOM 764 NH1 ARG A 47 -10.406 14.512 -4.811 1.00 14.32 N ATOM 765 NH2 ARG A 47 -12.371 14.070 -3.711 1.00 32.11 N ATOM 0 H ARG A 47 -11.889 14.944 -8.399 1.00 22.13 H new ATOM 0 HA ARG A 47 -13.101 15.412 -6.597 1.00 43.44 H new ATOM 0 HB2 ARG A 47 -12.751 18.349 -7.307 1.00 43.45 H new ATOM 0 HB3 ARG A 47 -13.174 17.696 -5.737 1.00 43.45 H new ATOM 0 HG2 ARG A 47 -10.664 16.577 -6.792 1.00 73.51 H new ATOM 0 HG3 ARG A 47 -10.612 18.321 -6.620 1.00 73.51 H new ATOM 0 HD2 ARG A 47 -9.888 17.011 -4.570 1.00 31.31 H new ATOM 0 HD3 ARG A 47 -11.124 18.220 -4.285 1.00 31.31 H new ATOM 0 HE ARG A 47 -12.670 16.539 -3.769 1.00 51.25 H new ATOM 0 HH11 ARG A 47 -9.754 15.179 -5.222 1.00 14.32 H new ATOM 0 HH12 ARG A 47 -10.197 13.514 -4.835 1.00 14.32 H new ATOM 0 HH21 ARG A 47 -13.233 14.397 -3.274 1.00 32.11 H new ATOM 0 HH22 ARG A 47 -12.159 13.073 -3.737 1.00 32.11 H new ATOM 779 N LYS A 48 -15.449 15.519 -7.359 1.00 25.20 N ATOM 780 CA LYS A 48 -16.863 15.604 -7.703 1.00 62.03 C ATOM 781 C LYS A 48 -17.733 15.097 -6.558 1.00 12.44 C ATOM 782 O LYS A 48 -18.911 14.794 -6.748 1.00 72.23 O ATOM 783 CB LYS A 48 -17.150 14.797 -8.971 1.00 63.33 C ATOM 784 CG LYS A 48 -16.762 15.516 -10.251 1.00 44.33 C ATOM 785 CD LYS A 48 -16.323 14.539 -11.329 1.00 45.31 C ATOM 786 CE LYS A 48 -14.855 14.169 -11.182 1.00 4.35 C ATOM 787 NZ LYS A 48 -14.041 14.660 -12.328 1.00 70.44 N ATOM 0 H LYS A 48 -15.198 14.697 -6.810 1.00 25.20 H new ATOM 0 HA LYS A 48 -17.105 16.651 -7.884 1.00 62.03 H new ATOM 0 HB2 LYS A 48 -16.612 13.851 -8.919 1.00 63.33 H new ATOM 0 HB3 LYS A 48 -18.213 14.558 -9.006 1.00 63.33 H new ATOM 0 HG2 LYS A 48 -17.608 16.101 -10.612 1.00 44.33 H new ATOM 0 HG3 LYS A 48 -15.954 16.218 -10.044 1.00 44.33 H new ATOM 0 HD2 LYS A 48 -16.934 13.638 -11.275 1.00 45.31 H new ATOM 0 HD3 LYS A 48 -16.492 14.980 -12.312 1.00 45.31 H new ATOM 0 HE2 LYS A 48 -14.466 14.589 -10.254 1.00 4.35 H new ATOM 0 HE3 LYS A 48 -14.759 13.086 -11.107 1.00 4.35 H new ATOM 0 HZ1 LYS A 48 -13.375 13.918 -12.624 1.00 70.44 H new ATOM 0 HZ2 LYS A 48 -14.668 14.899 -13.122 1.00 70.44 H new ATOM 0 HZ3 LYS A 48 -13.510 15.507 -12.039 1.00 70.44 H new ATOM 801 N ILE A 49 -17.146 15.010 -5.369 1.00 13.13 N ATOM 802 CA ILE A 49 -17.870 14.543 -4.193 1.00 22.03 C ATOM 803 C ILE A 49 -18.619 15.687 -3.518 1.00 21.12 C ATOM 804 O ILE A 49 -19.309 15.487 -2.519 1.00 61.43 O ATOM 805 CB ILE A 49 -16.920 13.892 -3.170 1.00 35.43 C ATOM 806 CG1 ILE A 49 -15.762 13.197 -3.887 1.00 65.42 C ATOM 807 CG2 ILE A 49 -17.680 12.903 -2.297 1.00 43.13 C ATOM 808 CD1 ILE A 49 -16.209 12.192 -4.926 1.00 12.21 C ATOM 0 H ILE A 49 -16.172 15.257 -5.195 1.00 13.13 H new ATOM 0 HA ILE A 49 -18.586 13.797 -4.538 1.00 22.03 H new ATOM 0 HB ILE A 49 -16.509 14.672 -2.529 1.00 35.43 H new ATOM 0 HG12 ILE A 49 -15.138 13.951 -4.367 1.00 65.42 H new ATOM 0 HG13 ILE A 49 -15.139 12.691 -3.149 1.00 65.42 H new ATOM 0 HG21 ILE A 49 -16.996 12.451 -1.579 1.00 43.13 H new ATOM 0 HG22 ILE A 49 -18.474 13.425 -1.763 1.00 43.13 H new ATOM 0 HG23 ILE A 49 -18.115 12.124 -2.923 1.00 43.13 H new ATOM 0 HD11 ILE A 49 -15.335 11.739 -5.394 1.00 12.21 H new ATOM 0 HD12 ILE A 49 -16.808 11.417 -4.448 1.00 12.21 H new ATOM 0 HD13 ILE A 49 -16.807 12.696 -5.686 1.00 12.21 H new ATOM 820 N ASN A 50 -18.479 16.887 -4.072 1.00 22.04 N ATOM 821 CA ASN A 50 -19.144 18.064 -3.524 1.00 25.11 C ATOM 822 C ASN A 50 -20.633 18.049 -3.852 1.00 54.34 C ATOM 823 O ASN A 50 -21.054 17.472 -4.856 1.00 45.12 O ATOM 824 CB ASN A 50 -18.501 19.340 -4.072 1.00 73.45 C ATOM 825 CG ASN A 50 -19.120 20.595 -3.490 1.00 14.34 C ATOM 826 OD1 ASN A 50 -19.547 21.488 -4.222 1.00 44.31 O ATOM 827 ND2 ASN A 50 -19.172 20.669 -2.165 1.00 11.03 N ATOM 0 H ASN A 50 -17.911 17.070 -4.900 1.00 22.04 H new ATOM 0 HA ASN A 50 -19.029 18.044 -2.440 1.00 25.11 H new ATOM 0 HB2 ASN A 50 -17.434 19.329 -3.852 1.00 73.45 H new ATOM 0 HB3 ASN A 50 -18.603 19.358 -5.157 1.00 73.45 H new ATOM 0 HD21 ASN A 50 -19.578 21.490 -1.716 1.00 11.03 H new ATOM 0 HD22 ASN A 50 -18.806 19.905 -1.597 1.00 11.03 H new ATOM 834 N LEU A 51 -21.427 18.688 -3.000 1.00 55.35 N ATOM 835 CA LEU A 51 -22.871 18.750 -3.200 1.00 13.23 C ATOM 836 C LEU A 51 -23.222 19.678 -4.359 1.00 22.13 C ATOM 837 O LEU A 51 -24.300 19.577 -4.944 1.00 15.43 O ATOM 838 CB LEU A 51 -23.562 19.229 -1.922 1.00 34.54 C ATOM 839 CG LEU A 51 -25.077 19.030 -1.863 1.00 54.12 C ATOM 840 CD1 LEU A 51 -25.482 18.395 -0.542 1.00 10.42 C ATOM 841 CD2 LEU A 51 -25.797 20.356 -2.063 1.00 0.15 C ATOM 0 H LEU A 51 -21.096 19.170 -2.164 1.00 55.35 H new ATOM 0 HA LEU A 51 -23.222 17.747 -3.443 1.00 13.23 H new ATOM 0 HB2 LEU A 51 -23.114 18.710 -1.074 1.00 34.54 H new ATOM 0 HB3 LEU A 51 -23.350 20.290 -1.794 1.00 34.54 H new ATOM 0 HG LEU A 51 -25.367 18.356 -2.669 1.00 54.12 H new ATOM 0 HD11 LEU A 51 -26.564 18.261 -0.519 1.00 10.42 H new ATOM 0 HD12 LEU A 51 -24.994 17.426 -0.440 1.00 10.42 H new ATOM 0 HD13 LEU A 51 -25.179 19.042 0.281 1.00 10.42 H new ATOM 0 HD21 LEU A 51 -26.874 20.196 -2.018 1.00 0.15 H new ATOM 0 HD22 LEU A 51 -25.501 21.053 -1.279 1.00 0.15 H new ATOM 0 HD23 LEU A 51 -25.532 20.771 -3.036 1.00 0.15 H new ATOM 853 N PHE A 52 -22.303 20.580 -4.687 1.00 24.33 N ATOM 854 CA PHE A 52 -22.514 21.525 -5.777 1.00 22.11 C ATOM 855 C PHE A 52 -21.899 21.006 -7.073 1.00 63.04 C ATOM 856 O PHE A 52 -22.428 21.237 -8.161 1.00 12.33 O ATOM 857 CB PHE A 52 -21.912 22.887 -5.423 1.00 75.32 C ATOM 858 CG PHE A 52 -22.652 24.044 -6.030 1.00 51.53 C ATOM 859 CD1 PHE A 52 -23.943 24.346 -5.628 1.00 51.42 C ATOM 860 CD2 PHE A 52 -22.056 24.831 -7.003 1.00 73.44 C ATOM 861 CE1 PHE A 52 -24.626 25.411 -6.185 1.00 15.35 C ATOM 862 CE2 PHE A 52 -22.734 25.897 -7.563 1.00 35.11 C ATOM 863 CZ PHE A 52 -24.022 26.187 -7.154 1.00 25.11 C ATOM 0 H PHE A 52 -21.405 20.676 -4.213 1.00 24.33 H new ATOM 0 HA PHE A 52 -23.588 21.637 -5.925 1.00 22.11 H new ATOM 0 HB2 PHE A 52 -21.902 23.001 -4.339 1.00 75.32 H new ATOM 0 HB3 PHE A 52 -20.874 22.915 -5.756 1.00 75.32 H new ATOM 0 HD1 PHE A 52 -24.421 23.742 -4.871 1.00 51.42 H new ATOM 0 HD2 PHE A 52 -21.050 24.609 -7.327 1.00 73.44 H new ATOM 0 HE1 PHE A 52 -25.632 25.636 -5.862 1.00 15.35 H new ATOM 0 HE2 PHE A 52 -22.258 26.503 -8.320 1.00 35.11 H new ATOM 0 HZ PHE A 52 -24.555 27.019 -7.591 1.00 25.11 H new ATOM 873 N TYR A 53 -20.778 20.304 -6.950 1.00 2.13 N ATOM 874 CA TYR A 53 -20.088 19.755 -8.111 1.00 30.41 C ATOM 875 C TYR A 53 -20.843 18.556 -8.676 1.00 73.32 C ATOM 876 O TYR A 53 -21.136 18.498 -9.871 1.00 44.14 O ATOM 877 CB TYR A 53 -18.663 19.344 -7.736 1.00 71.55 C ATOM 878 CG TYR A 53 -17.705 19.347 -8.906 1.00 42.20 C ATOM 879 CD1 TYR A 53 -17.958 18.585 -10.040 1.00 12.41 C ATOM 880 CD2 TYR A 53 -16.546 20.114 -8.877 1.00 70.33 C ATOM 881 CE1 TYR A 53 -17.085 18.585 -11.110 1.00 41.42 C ATOM 882 CE2 TYR A 53 -15.668 20.121 -9.944 1.00 22.13 C ATOM 883 CZ TYR A 53 -15.941 19.355 -11.058 1.00 33.35 C ATOM 884 OH TYR A 53 -15.070 19.358 -12.122 1.00 44.53 O ATOM 0 H TYR A 53 -20.328 20.102 -6.057 1.00 2.13 H new ATOM 0 HA TYR A 53 -20.046 20.529 -8.877 1.00 30.41 H new ATOM 0 HB2 TYR A 53 -18.288 20.021 -6.969 1.00 71.55 H new ATOM 0 HB3 TYR A 53 -18.685 18.346 -7.297 1.00 71.55 H new ATOM 0 HD1 TYR A 53 -18.853 17.982 -10.085 1.00 12.41 H new ATOM 0 HD2 TYR A 53 -16.328 20.714 -8.006 1.00 70.33 H new ATOM 0 HE1 TYR A 53 -17.296 17.985 -11.983 1.00 41.42 H new ATOM 0 HE2 TYR A 53 -14.772 20.723 -9.906 1.00 22.13 H new ATOM 0 HH TYR A 53 -14.316 19.953 -11.926 1.00 44.53 H new ATOM 894 N LEU A 54 -21.157 17.600 -7.809 1.00 12.05 N ATOM 895 CA LEU A 54 -21.880 16.401 -8.219 1.00 64.01 C ATOM 896 C LEU A 54 -23.225 16.762 -8.840 1.00 72.12 C ATOM 897 O LEU A 54 -23.706 16.079 -9.745 1.00 43.22 O ATOM 898 CB LEU A 54 -22.090 15.473 -7.021 1.00 53.42 C ATOM 899 CG LEU A 54 -22.457 14.026 -7.350 1.00 34.24 C ATOM 900 CD1 LEU A 54 -22.122 13.112 -6.181 1.00 74.11 C ATOM 901 CD2 LEU A 54 -23.932 13.918 -7.708 1.00 34.32 C ATOM 0 H LEU A 54 -20.922 17.632 -6.817 1.00 12.05 H new ATOM 0 HA LEU A 54 -21.282 15.885 -8.969 1.00 64.01 H new ATOM 0 HB2 LEU A 54 -21.177 15.469 -6.426 1.00 53.42 H new ATOM 0 HB3 LEU A 54 -22.877 15.893 -6.395 1.00 53.42 H new ATOM 0 HG LEU A 54 -21.870 13.709 -8.212 1.00 34.24 H new ATOM 0 HD11 LEU A 54 -22.390 12.086 -6.433 1.00 74.11 H new ATOM 0 HD12 LEU A 54 -21.054 13.167 -5.971 1.00 74.11 H new ATOM 0 HD13 LEU A 54 -22.682 13.427 -5.301 1.00 74.11 H new ATOM 0 HD21 LEU A 54 -24.175 12.881 -7.939 1.00 34.32 H new ATOM 0 HD22 LEU A 54 -24.536 14.253 -6.865 1.00 34.32 H new ATOM 0 HD23 LEU A 54 -24.142 14.542 -8.576 1.00 34.32 H new ATOM 913 N TYR A 55 -23.827 17.840 -8.350 1.00 31.42 N ATOM 914 CA TYR A 55 -25.117 18.291 -8.856 1.00 55.54 C ATOM 915 C TYR A 55 -24.958 19.003 -10.197 1.00 22.33 C ATOM 916 O TYR A 55 -25.726 18.772 -11.130 1.00 14.13 O ATOM 917 CB TYR A 55 -25.786 19.226 -7.847 1.00 54.00 C ATOM 918 CG TYR A 55 -27.127 19.753 -8.306 1.00 33.01 C ATOM 919 CD1 TYR A 55 -28.161 18.885 -8.635 1.00 31.20 C ATOM 920 CD2 TYR A 55 -27.360 21.119 -8.412 1.00 32.44 C ATOM 921 CE1 TYR A 55 -29.388 19.361 -9.055 1.00 43.54 C ATOM 922 CE2 TYR A 55 -28.584 21.604 -8.830 1.00 1.24 C ATOM 923 CZ TYR A 55 -29.594 20.722 -9.151 1.00 33.14 C ATOM 924 OH TYR A 55 -30.814 21.202 -9.569 1.00 34.32 O ATOM 0 H TYR A 55 -23.442 18.418 -7.603 1.00 31.42 H new ATOM 0 HA TYR A 55 -25.747 17.414 -9.003 1.00 55.54 H new ATOM 0 HB2 TYR A 55 -25.917 18.695 -6.904 1.00 54.00 H new ATOM 0 HB3 TYR A 55 -25.123 20.068 -7.649 1.00 54.00 H new ATOM 0 HD1 TYR A 55 -28.003 17.819 -8.561 1.00 31.20 H new ATOM 0 HD2 TYR A 55 -26.571 21.813 -8.163 1.00 32.44 H new ATOM 0 HE1 TYR A 55 -30.181 18.672 -9.307 1.00 43.54 H new ATOM 0 HE2 TYR A 55 -28.749 22.669 -8.905 1.00 1.24 H new ATOM 0 HH TYR A 55 -30.794 22.182 -9.580 1.00 34.32 H new ATOM 934 N MET A 56 -23.953 19.868 -10.284 1.00 11.33 N ATOM 935 CA MET A 56 -23.690 20.613 -11.510 1.00 32.41 C ATOM 936 C MET A 56 -23.424 19.665 -12.675 1.00 22.52 C ATOM 937 O MET A 56 -23.876 19.900 -13.796 1.00 73.10 O ATOM 938 CB MET A 56 -22.497 21.550 -11.317 1.00 3.11 C ATOM 939 CG MET A 56 -22.275 22.499 -12.483 1.00 43.41 C ATOM 940 SD MET A 56 -20.734 22.172 -13.361 1.00 52.53 S ATOM 941 CE MET A 56 -20.592 23.654 -14.358 1.00 23.21 C ATOM 0 H MET A 56 -23.308 20.070 -9.521 1.00 11.33 H new ATOM 0 HA MET A 56 -24.574 21.206 -11.742 1.00 32.41 H new ATOM 0 HB2 MET A 56 -22.647 22.133 -10.408 1.00 3.11 H new ATOM 0 HB3 MET A 56 -21.597 20.953 -11.168 1.00 3.11 H new ATOM 0 HG2 MET A 56 -23.110 22.415 -13.179 1.00 43.41 H new ATOM 0 HG3 MET A 56 -22.268 23.525 -12.115 1.00 43.41 H new ATOM 0 HE1 MET A 56 -19.685 23.602 -14.960 1.00 23.21 H new ATOM 0 HE2 MET A 56 -21.459 23.736 -15.014 1.00 23.21 H new ATOM 0 HE3 MET A 56 -20.546 24.527 -13.707 1.00 23.21 H new ATOM 951 N LEU A 57 -22.687 18.593 -12.403 1.00 50.10 N ATOM 952 CA LEU A 57 -22.360 17.609 -13.429 1.00 50.11 C ATOM 953 C LEU A 57 -23.624 16.959 -13.983 1.00 10.30 C ATOM 954 O LEU A 57 -23.805 16.863 -15.197 1.00 3.31 O ATOM 955 CB LEU A 57 -21.430 16.537 -12.858 1.00 11.21 C ATOM 956 CG LEU A 57 -20.502 15.851 -13.860 1.00 64.32 C ATOM 957 CD1 LEU A 57 -19.111 15.678 -13.268 1.00 53.35 C ATOM 958 CD2 LEU A 57 -21.074 14.505 -14.283 1.00 10.44 C ATOM 0 H LEU A 57 -22.305 18.383 -11.481 1.00 50.10 H new ATOM 0 HA LEU A 57 -21.852 18.125 -14.244 1.00 50.11 H new ATOM 0 HB2 LEU A 57 -20.818 16.993 -12.079 1.00 11.21 H new ATOM 0 HB3 LEU A 57 -22.041 15.773 -12.377 1.00 11.21 H new ATOM 0 HG LEU A 57 -20.423 16.484 -14.744 1.00 64.32 H new ATOM 0 HD11 LEU A 57 -18.464 15.188 -13.996 1.00 53.35 H new ATOM 0 HD12 LEU A 57 -18.699 16.655 -13.016 1.00 53.35 H new ATOM 0 HD13 LEU A 57 -19.172 15.067 -12.367 1.00 53.35 H new ATOM 0 HD21 LEU A 57 -20.400 14.031 -14.997 1.00 10.44 H new ATOM 0 HD22 LEU A 57 -21.184 13.865 -13.408 1.00 10.44 H new ATOM 0 HD23 LEU A 57 -22.048 14.654 -14.748 1.00 10.44 H new ATOM 970 N VAL A 58 -24.498 16.516 -13.085 1.00 23.14 N ATOM 971 CA VAL A 58 -25.747 15.878 -13.483 1.00 1.31 C ATOM 972 C VAL A 58 -26.600 16.819 -14.326 1.00 41.41 C ATOM 973 O VAL A 58 -27.080 16.446 -15.396 1.00 43.21 O ATOM 974 CB VAL A 58 -26.561 15.425 -12.257 1.00 34.41 C ATOM 975 CG1 VAL A 58 -27.811 14.676 -12.693 1.00 75.14 C ATOM 976 CG2 VAL A 58 -25.707 14.563 -11.339 1.00 51.13 C ATOM 0 H VAL A 58 -24.364 16.587 -12.076 1.00 23.14 H new ATOM 0 HA VAL A 58 -25.481 15.003 -14.077 1.00 1.31 H new ATOM 0 HB VAL A 58 -26.871 16.310 -11.702 1.00 34.41 H new ATOM 0 HG11 VAL A 58 -28.373 14.364 -11.813 1.00 75.14 H new ATOM 0 HG12 VAL A 58 -28.431 15.329 -13.307 1.00 75.14 H new ATOM 0 HG13 VAL A 58 -27.526 13.798 -13.272 1.00 75.14 H new ATOM 0 HG21 VAL A 58 -26.298 14.252 -10.478 1.00 51.13 H new ATOM 0 HG22 VAL A 58 -25.365 13.682 -11.882 1.00 51.13 H new ATOM 0 HG23 VAL A 58 -24.845 15.137 -10.999 1.00 51.13 H new ATOM 986 N GLN A 59 -26.784 18.041 -13.836 1.00 43.34 N ATOM 987 CA GLN A 59 -27.579 19.036 -14.546 1.00 14.25 C ATOM 988 C GLN A 59 -26.991 19.322 -15.923 1.00 54.14 C ATOM 989 O GLN A 59 -27.722 19.569 -16.883 1.00 71.22 O ATOM 990 CB GLN A 59 -27.659 20.330 -13.733 1.00 63.03 C ATOM 991 CG GLN A 59 -28.955 21.097 -13.936 1.00 53.21 C ATOM 992 CD GLN A 59 -28.816 22.223 -14.942 1.00 32.21 C ATOM 993 OE1 GLN A 59 -27.872 23.011 -14.882 1.00 61.24 O ATOM 994 NE2 GLN A 59 -29.759 22.304 -15.874 1.00 3.22 N ATOM 0 H GLN A 59 -26.394 18.365 -12.951 1.00 43.34 H new ATOM 0 HA GLN A 59 -28.584 18.635 -14.677 1.00 14.25 H new ATOM 0 HB2 GLN A 59 -27.549 20.092 -12.675 1.00 63.03 H new ATOM 0 HB3 GLN A 59 -26.821 20.972 -14.004 1.00 63.03 H new ATOM 0 HG2 GLN A 59 -29.731 20.409 -14.272 1.00 53.21 H new ATOM 0 HG3 GLN A 59 -29.284 21.507 -12.981 1.00 53.21 H new ATOM 0 HE21 GLN A 59 -30.524 21.629 -15.886 1.00 3.22 H new ATOM 0 HE22 GLN A 59 -29.718 23.041 -16.578 1.00 3.22 H new ATOM 1003 N LYS A 60 -25.666 19.288 -16.014 1.00 73.14 N ATOM 1004 CA LYS A 60 -24.979 19.542 -17.275 1.00 4.33 C ATOM 1005 C LYS A 60 -25.197 18.394 -18.255 1.00 53.52 C ATOM 1006 O LYS A 60 -25.304 18.608 -19.463 1.00 11.41 O ATOM 1007 CB LYS A 60 -23.481 19.741 -17.031 1.00 62.41 C ATOM 1008 CG LYS A 60 -23.051 21.197 -17.038 1.00 51.44 C ATOM 1009 CD LYS A 60 -21.730 21.386 -17.766 1.00 34.41 C ATOM 1010 CE LYS A 60 -21.587 22.801 -18.304 1.00 11.11 C ATOM 1011 NZ LYS A 60 -21.390 22.816 -19.780 1.00 5.22 N ATOM 0 H LYS A 60 -25.046 19.087 -15.229 1.00 73.14 H new ATOM 0 HA LYS A 60 -25.395 20.451 -17.710 1.00 4.33 H new ATOM 0 HB2 LYS A 60 -23.216 19.297 -16.071 1.00 62.41 H new ATOM 0 HB3 LYS A 60 -22.922 19.202 -17.796 1.00 62.41 H new ATOM 0 HG2 LYS A 60 -23.821 21.802 -17.517 1.00 51.44 H new ATOM 0 HG3 LYS A 60 -22.957 21.554 -16.013 1.00 51.44 H new ATOM 0 HD2 LYS A 60 -20.905 21.169 -17.087 1.00 34.41 H new ATOM 0 HD3 LYS A 60 -21.662 20.674 -18.589 1.00 34.41 H new ATOM 0 HE2 LYS A 60 -22.477 23.378 -18.051 1.00 11.11 H new ATOM 0 HE3 LYS A 60 -20.742 23.290 -17.820 1.00 11.11 H new ATOM 0 HZ1 LYS A 60 -21.297 23.799 -20.108 1.00 5.22 H new ATOM 0 HZ2 LYS A 60 -20.527 22.287 -20.020 1.00 5.22 H new ATOM 0 HZ3 LYS A 60 -22.208 22.372 -20.244 1.00 5.22 H new ATOM 1025 N PHE A 61 -25.264 17.177 -17.728 1.00 35.51 N ATOM 1026 CA PHE A 61 -25.471 15.995 -18.557 1.00 32.20 C ATOM 1027 C PHE A 61 -26.926 15.893 -19.005 1.00 72.32 C ATOM 1028 O PHE A 61 -27.273 15.058 -19.840 1.00 30.14 O ATOM 1029 CB PHE A 61 -25.072 14.732 -17.791 1.00 30.02 C ATOM 1030 CG PHE A 61 -23.933 13.983 -18.422 1.00 11.04 C ATOM 1031 CD1 PHE A 61 -22.621 14.300 -18.109 1.00 22.41 C ATOM 1032 CD2 PHE A 61 -24.175 12.962 -19.327 1.00 4.23 C ATOM 1033 CE1 PHE A 61 -21.571 13.612 -18.689 1.00 11.55 C ATOM 1034 CE2 PHE A 61 -23.129 12.271 -19.909 1.00 42.23 C ATOM 1035 CZ PHE A 61 -21.825 12.596 -19.589 1.00 13.32 C ATOM 0 H PHE A 61 -25.178 16.983 -16.730 1.00 35.51 H new ATOM 0 HA PHE A 61 -24.842 16.088 -19.442 1.00 32.20 H new ATOM 0 HB2 PHE A 61 -24.796 15.006 -16.773 1.00 30.02 H new ATOM 0 HB3 PHE A 61 -25.936 14.071 -17.720 1.00 30.02 H new ATOM 0 HD1 PHE A 61 -22.416 15.093 -17.405 1.00 22.41 H new ATOM 0 HD2 PHE A 61 -25.192 12.703 -19.580 1.00 4.23 H new ATOM 0 HE1 PHE A 61 -20.553 13.869 -18.438 1.00 11.55 H new ATOM 0 HE2 PHE A 61 -23.331 11.478 -20.613 1.00 42.23 H new ATOM 0 HZ PHE A 61 -21.006 12.057 -20.042 1.00 13.32 H new ATOM 1045 N GLY A 62 -27.774 16.749 -18.443 1.00 40.33 N ATOM 1046 CA GLY A 62 -29.182 16.739 -18.796 1.00 44.13 C ATOM 1047 C GLY A 62 -30.034 16.034 -17.760 1.00 70.32 C ATOM 1048 O GLY A 62 -31.190 15.701 -18.019 1.00 41.21 O ATOM 0 H GLY A 62 -27.511 17.449 -17.750 1.00 40.33 H new ATOM 0 HA2 GLY A 62 -29.532 17.765 -18.912 1.00 44.13 H new ATOM 0 HA3 GLY A 62 -29.308 16.248 -19.761 1.00 44.13 H new ATOM 1052 N GLY A 63 -29.462 15.803 -16.583 1.00 25.35 N ATOM 1053 CA GLY A 63 -30.191 15.132 -15.522 1.00 65.32 C ATOM 1054 C GLY A 63 -29.856 13.656 -15.433 1.00 31.03 C ATOM 1055 O GLY A 63 -29.389 13.059 -16.402 1.00 31.30 O ATOM 0 H GLY A 63 -28.506 16.068 -16.345 1.00 25.35 H new ATOM 0 HA2 GLY A 63 -29.964 15.611 -14.570 1.00 65.32 H new ATOM 0 HA3 GLY A 63 -31.262 15.249 -15.690 1.00 65.32 H new ATOM 1059 N ALA A 64 -30.094 13.067 -14.265 1.00 60.35 N ATOM 1060 CA ALA A 64 -29.815 11.652 -14.053 1.00 72.22 C ATOM 1061 C ALA A 64 -30.460 10.796 -15.139 1.00 5.42 C ATOM 1062 O ALA A 64 -29.929 9.751 -15.515 1.00 73.10 O ATOM 1063 CB ALA A 64 -30.302 11.218 -12.679 1.00 13.35 C ATOM 0 H ALA A 64 -30.479 13.548 -13.452 1.00 60.35 H new ATOM 0 HA ALA A 64 -28.736 11.508 -14.106 1.00 72.22 H new ATOM 0 HB1 ALA A 64 -30.087 10.159 -12.534 1.00 13.35 H new ATOM 0 HB2 ALA A 64 -29.792 11.800 -11.912 1.00 13.35 H new ATOM 0 HB3 ALA A 64 -31.377 11.383 -12.605 1.00 13.35 H new ATOM 1069 N ASP A 65 -31.605 11.247 -15.638 1.00 34.42 N ATOM 1070 CA ASP A 65 -32.322 10.522 -16.681 1.00 12.21 C ATOM 1071 C ASP A 65 -31.543 10.545 -17.992 1.00 41.52 C ATOM 1072 O ASP A 65 -31.520 9.560 -18.728 1.00 62.52 O ATOM 1073 CB ASP A 65 -33.712 11.127 -16.888 1.00 61.53 C ATOM 1074 CG ASP A 65 -34.771 10.445 -16.045 1.00 74.31 C ATOM 1075 OD1 ASP A 65 -34.446 10.010 -14.920 1.00 50.41 O ATOM 1076 OD2 ASP A 65 -35.926 10.346 -16.510 1.00 11.32 O ATOM 0 H ASP A 65 -32.057 12.111 -15.338 1.00 34.42 H new ATOM 0 HA ASP A 65 -32.429 9.485 -16.361 1.00 12.21 H new ATOM 0 HB2 ASP A 65 -33.684 12.188 -16.642 1.00 61.53 H new ATOM 0 HB3 ASP A 65 -33.985 11.051 -17.941 1.00 61.53 H new ATOM 1081 N GLN A 66 -30.908 11.678 -18.277 1.00 64.41 N ATOM 1082 CA GLN A 66 -30.129 11.829 -19.501 1.00 11.04 C ATOM 1083 C GLN A 66 -28.867 10.973 -19.453 1.00 15.55 C ATOM 1084 O GLN A 66 -28.448 10.411 -20.464 1.00 25.33 O ATOM 1085 CB GLN A 66 -29.756 13.297 -19.715 1.00 12.05 C ATOM 1086 CG GLN A 66 -29.560 13.668 -21.176 1.00 11.34 C ATOM 1087 CD GLN A 66 -30.343 14.904 -21.574 1.00 73.51 C ATOM 1088 OE1 GLN A 66 -29.792 15.844 -22.147 1.00 54.00 O ATOM 1089 NE2 GLN A 66 -31.636 14.908 -21.272 1.00 75.24 N ATOM 0 H GLN A 66 -30.918 12.504 -17.678 1.00 64.41 H new ATOM 0 HA GLN A 66 -30.743 11.492 -20.336 1.00 11.04 H new ATOM 0 HB2 GLN A 66 -30.537 13.927 -19.290 1.00 12.05 H new ATOM 0 HB3 GLN A 66 -28.839 13.514 -19.167 1.00 12.05 H new ATOM 0 HG2 GLN A 66 -28.500 13.838 -21.365 1.00 11.34 H new ATOM 0 HG3 GLN A 66 -29.866 12.831 -21.804 1.00 11.34 H new ATOM 0 HE21 GLN A 66 -32.051 14.107 -20.796 1.00 75.24 H new ATOM 0 HE22 GLN A 66 -32.214 15.712 -21.516 1.00 75.24 H new ATOM 1098 N VAL A 67 -28.266 10.880 -18.271 1.00 14.14 N ATOM 1099 CA VAL A 67 -27.053 10.092 -18.090 1.00 43.52 C ATOM 1100 C VAL A 67 -27.332 8.604 -18.268 1.00 1.33 C ATOM 1101 O VAL A 67 -26.482 7.855 -18.750 1.00 75.55 O ATOM 1102 CB VAL A 67 -26.434 10.325 -16.699 1.00 12.21 C ATOM 1103 CG1 VAL A 67 -25.164 9.504 -16.535 1.00 11.41 C ATOM 1104 CG2 VAL A 67 -26.155 11.805 -16.481 1.00 65.44 C ATOM 0 H VAL A 67 -28.600 11.341 -17.424 1.00 14.14 H new ATOM 0 HA VAL A 67 -26.347 10.420 -18.853 1.00 43.52 H new ATOM 0 HB VAL A 67 -27.148 9.999 -15.943 1.00 12.21 H new ATOM 0 HG11 VAL A 67 -24.741 9.682 -15.546 1.00 11.41 H new ATOM 0 HG12 VAL A 67 -25.399 8.445 -16.644 1.00 11.41 H new ATOM 0 HG13 VAL A 67 -24.441 9.796 -17.297 1.00 11.41 H new ATOM 0 HG21 VAL A 67 -25.718 11.951 -15.493 1.00 65.44 H new ATOM 0 HG22 VAL A 67 -25.460 12.160 -17.242 1.00 65.44 H new ATOM 0 HG23 VAL A 67 -27.087 12.365 -16.552 1.00 65.44 H new ATOM 1114 N THR A 68 -28.529 8.181 -17.874 1.00 54.34 N ATOM 1115 CA THR A 68 -28.921 6.782 -17.989 1.00 54.31 C ATOM 1116 C THR A 68 -29.543 6.495 -19.351 1.00 41.41 C ATOM 1117 O THR A 68 -29.469 5.374 -19.854 1.00 4.10 O ATOM 1118 CB THR A 68 -29.923 6.387 -16.887 1.00 44.31 C ATOM 1119 OG1 THR A 68 -30.229 4.992 -16.981 1.00 72.32 O ATOM 1120 CG2 THR A 68 -31.202 7.202 -17.002 1.00 34.35 C ATOM 0 H THR A 68 -29.244 8.788 -17.472 1.00 54.34 H new ATOM 0 HA THR A 68 -28.013 6.189 -17.875 1.00 54.31 H new ATOM 0 HB THR A 68 -29.466 6.593 -15.919 1.00 44.31 H new ATOM 0 HG1 THR A 68 -30.865 4.748 -16.276 1.00 72.32 H new ATOM 0 HG21 THR A 68 -31.894 6.906 -16.214 1.00 34.35 H new ATOM 0 HG22 THR A 68 -30.968 8.262 -16.900 1.00 34.35 H new ATOM 0 HG23 THR A 68 -31.661 7.023 -17.974 1.00 34.35 H new ATOM 1128 N ARG A 69 -30.155 7.515 -19.944 1.00 0.32 N ATOM 1129 CA ARG A 69 -30.790 7.372 -21.248 1.00 60.23 C ATOM 1130 C ARG A 69 -29.796 6.852 -22.283 1.00 3.43 C ATOM 1131 O ARG A 69 -30.147 6.054 -23.152 1.00 51.34 O ATOM 1132 CB ARG A 69 -31.368 8.712 -21.708 1.00 64.52 C ATOM 1133 CG ARG A 69 -32.001 8.660 -23.089 1.00 64.02 C ATOM 1134 CD ARG A 69 -31.131 9.352 -24.127 1.00 2.32 C ATOM 1135 NE ARG A 69 -31.618 10.692 -24.443 1.00 3.52 N ATOM 1136 CZ ARG A 69 -32.630 10.931 -25.270 1.00 23.35 C ATOM 1137 NH1 ARG A 69 -33.259 9.924 -25.860 1.00 20.01 N ATOM 1138 NH2 ARG A 69 -33.015 12.178 -25.507 1.00 3.22 N ATOM 0 H ARG A 69 -30.224 8.450 -19.542 1.00 0.32 H new ATOM 0 HA ARG A 69 -31.600 6.649 -21.152 1.00 60.23 H new ATOM 0 HB2 ARG A 69 -32.116 9.042 -20.987 1.00 64.52 H new ATOM 0 HB3 ARG A 69 -30.574 9.459 -21.709 1.00 64.52 H new ATOM 0 HG2 ARG A 69 -32.159 7.621 -23.379 1.00 64.02 H new ATOM 0 HG3 ARG A 69 -32.981 9.135 -23.059 1.00 64.02 H new ATOM 0 HD2 ARG A 69 -30.107 9.416 -23.758 1.00 2.32 H new ATOM 0 HD3 ARG A 69 -31.105 8.752 -25.037 1.00 2.32 H new ATOM 0 HE ARG A 69 -31.156 11.488 -24.005 1.00 3.52 H new ATOM 0 HH11 ARG A 69 -32.966 8.964 -25.679 1.00 20.01 H new ATOM 0 HH12 ARG A 69 -34.036 10.110 -26.495 1.00 20.01 H new ATOM 0 HH21 ARG A 69 -32.534 12.955 -25.054 1.00 3.22 H new ATOM 0 HH22 ARG A 69 -33.792 12.360 -26.142 1.00 3.22 H new ATOM 1152 N THR A 70 -28.552 7.311 -22.183 1.00 2.01 N ATOM 1153 CA THR A 70 -27.507 6.895 -23.110 1.00 31.31 C ATOM 1154 C THR A 70 -26.539 5.922 -22.446 1.00 43.43 C ATOM 1155 O THR A 70 -25.521 5.550 -23.031 1.00 15.54 O ATOM 1156 CB THR A 70 -26.717 8.104 -23.645 1.00 63.42 C ATOM 1157 OG1 THR A 70 -26.723 9.160 -22.678 1.00 64.23 O ATOM 1158 CG2 THR A 70 -27.312 8.603 -24.953 1.00 42.20 C ATOM 0 H THR A 70 -28.244 7.971 -21.469 1.00 2.01 H new ATOM 0 HA THR A 70 -28.003 6.397 -23.943 1.00 31.31 H new ATOM 0 HB THR A 70 -25.690 7.787 -23.829 1.00 63.42 H new ATOM 0 HG1 THR A 70 -26.217 9.924 -23.025 1.00 64.23 H new ATOM 0 HG21 THR A 70 -26.738 9.457 -25.312 1.00 42.20 H new ATOM 0 HG22 THR A 70 -27.279 7.806 -25.695 1.00 42.20 H new ATOM 0 HG23 THR A 70 -28.347 8.904 -24.790 1.00 42.20 H new ATOM 1166 N GLN A 71 -26.862 5.514 -21.224 1.00 12.25 N ATOM 1167 CA GLN A 71 -26.019 4.584 -20.481 1.00 55.32 C ATOM 1168 C GLN A 71 -24.599 5.124 -20.348 1.00 13.21 C ATOM 1169 O GLN A 71 -23.629 4.418 -20.621 1.00 73.11 O ATOM 1170 CB GLN A 71 -25.996 3.220 -21.173 1.00 53.20 C ATOM 1171 CG GLN A 71 -25.652 2.071 -20.240 1.00 62.40 C ATOM 1172 CD GLN A 71 -26.753 1.032 -20.163 1.00 31.42 C ATOM 1173 OE1 GLN A 71 -26.560 -0.124 -20.541 1.00 24.24 O ATOM 1174 NE2 GLN A 71 -27.918 1.438 -19.671 1.00 44.41 N ATOM 0 H GLN A 71 -27.701 5.812 -20.727 1.00 12.25 H new ATOM 0 HA GLN A 71 -26.440 4.470 -19.482 1.00 55.32 H new ATOM 0 HB2 GLN A 71 -26.972 3.033 -21.622 1.00 53.20 H new ATOM 0 HB3 GLN A 71 -25.271 3.247 -21.986 1.00 53.20 H new ATOM 0 HG2 GLN A 71 -24.732 1.595 -20.580 1.00 62.40 H new ATOM 0 HG3 GLN A 71 -25.458 2.464 -19.242 1.00 62.40 H new ATOM 0 HE21 GLN A 71 -28.035 2.405 -19.369 1.00 44.41 H new ATOM 0 HE22 GLN A 71 -28.696 0.782 -19.595 1.00 44.41 H new ATOM 1183 N GLN A 72 -24.486 6.380 -19.927 1.00 20.31 N ATOM 1184 CA GLN A 72 -23.184 7.014 -19.759 1.00 22.13 C ATOM 1185 C GLN A 72 -22.795 7.076 -18.285 1.00 63.14 C ATOM 1186 O GLN A 72 -21.650 7.380 -17.948 1.00 74.31 O ATOM 1187 CB GLN A 72 -23.198 8.423 -20.354 1.00 74.34 C ATOM 1188 CG GLN A 72 -23.526 8.452 -21.839 1.00 1.45 C ATOM 1189 CD GLN A 72 -22.365 8.941 -22.683 1.00 14.14 C ATOM 1190 OE1 GLN A 72 -22.293 10.118 -23.037 1.00 41.13 O ATOM 1191 NE2 GLN A 72 -21.449 8.037 -23.009 1.00 41.44 N ATOM 0 H GLN A 72 -25.280 6.978 -19.696 1.00 20.31 H new ATOM 0 HA GLN A 72 -22.444 6.412 -20.287 1.00 22.13 H new ATOM 0 HB2 GLN A 72 -23.928 9.028 -19.817 1.00 74.34 H new ATOM 0 HB3 GLN A 72 -22.223 8.885 -20.196 1.00 74.34 H new ATOM 0 HG2 GLN A 72 -23.811 7.451 -22.164 1.00 1.45 H new ATOM 0 HG3 GLN A 72 -24.388 9.098 -22.004 1.00 1.45 H new ATOM 0 HE21 GLN A 72 -21.550 7.072 -22.693 1.00 41.44 H new ATOM 0 HE22 GLN A 72 -20.645 8.307 -23.575 1.00 41.44 H new ATOM 1200 N TRP A 73 -23.753 6.787 -17.413 1.00 73.11 N ATOM 1201 CA TRP A 73 -23.510 6.810 -15.975 1.00 54.41 C ATOM 1202 C TRP A 73 -22.286 5.975 -15.616 1.00 52.41 C ATOM 1203 O TRP A 73 -21.552 6.302 -14.683 1.00 53.35 O ATOM 1204 CB TRP A 73 -24.736 6.291 -15.221 1.00 50.25 C ATOM 1205 CG TRP A 73 -24.501 6.121 -13.751 1.00 60.41 C ATOM 1206 CD1 TRP A 73 -23.791 6.952 -12.933 1.00 25.21 C ATOM 1207 CD2 TRP A 73 -24.976 5.051 -12.926 1.00 1.52 C ATOM 1208 NE1 TRP A 73 -23.795 6.464 -11.648 1.00 71.44 N ATOM 1209 CE2 TRP A 73 -24.516 5.299 -11.617 1.00 52.55 C ATOM 1210 CE3 TRP A 73 -25.746 3.910 -13.164 1.00 13.22 C ATOM 1211 CZ2 TRP A 73 -24.802 4.447 -10.554 1.00 64.35 C ATOM 1212 CZ3 TRP A 73 -26.028 3.065 -12.108 1.00 33.32 C ATOM 1213 CH2 TRP A 73 -25.558 3.337 -10.816 1.00 63.33 C ATOM 0 H TRP A 73 -24.705 6.534 -17.676 1.00 73.11 H new ATOM 0 HA TRP A 73 -23.321 7.842 -15.680 1.00 54.41 H new ATOM 0 HB2 TRP A 73 -25.566 6.982 -15.372 1.00 50.25 H new ATOM 0 HB3 TRP A 73 -25.037 5.334 -15.647 1.00 50.25 H new ATOM 0 HD1 TRP A 73 -23.298 7.860 -13.249 1.00 25.21 H new ATOM 0 HE1 TRP A 73 -23.336 6.898 -10.847 1.00 71.44 H new ATOM 0 HE3 TRP A 73 -26.114 3.692 -14.156 1.00 13.22 H new ATOM 0 HZ2 TRP A 73 -24.440 4.655 -9.558 1.00 64.35 H new ATOM 0 HZ3 TRP A 73 -26.621 2.179 -12.281 1.00 33.32 H new ATOM 0 HH2 TRP A 73 -25.797 2.657 -10.012 1.00 63.33 H new ATOM 1224 N SER A 74 -22.072 4.896 -16.362 1.00 45.41 N ATOM 1225 CA SER A 74 -20.937 4.013 -16.119 1.00 74.44 C ATOM 1226 C SER A 74 -19.619 4.744 -16.352 1.00 40.25 C ATOM 1227 O SER A 74 -18.676 4.611 -15.573 1.00 34.33 O ATOM 1228 CB SER A 74 -21.019 2.783 -17.026 1.00 43.11 C ATOM 1229 OG SER A 74 -21.033 3.157 -18.393 1.00 3.32 O ATOM 0 H SER A 74 -22.669 4.612 -17.139 1.00 45.41 H new ATOM 0 HA SER A 74 -20.974 3.692 -15.078 1.00 74.44 H new ATOM 0 HB2 SER A 74 -20.169 2.128 -16.834 1.00 43.11 H new ATOM 0 HB3 SER A 74 -21.919 2.214 -16.792 1.00 43.11 H new ATOM 0 HG SER A 74 -21.084 2.353 -18.952 1.00 3.32 H new ATOM 1235 N MET A 75 -19.561 5.518 -17.432 1.00 35.52 N ATOM 1236 CA MET A 75 -18.359 6.272 -17.768 1.00 34.31 C ATOM 1237 C MET A 75 -18.172 7.448 -16.815 1.00 65.00 C ATOM 1238 O MET A 75 -17.079 7.668 -16.292 1.00 63.05 O ATOM 1239 CB MET A 75 -18.434 6.776 -19.210 1.00 75.24 C ATOM 1240 CG MET A 75 -18.372 5.665 -20.246 1.00 41.13 C ATOM 1241 SD MET A 75 -17.439 6.137 -21.715 1.00 54.35 S ATOM 1242 CE MET A 75 -18.350 5.266 -22.989 1.00 4.33 C ATOM 0 H MET A 75 -20.332 5.639 -18.089 1.00 35.52 H new ATOM 0 HA MET A 75 -17.502 5.606 -17.668 1.00 34.31 H new ATOM 0 HB2 MET A 75 -19.360 7.335 -19.343 1.00 75.24 H new ATOM 0 HB3 MET A 75 -17.614 7.472 -19.386 1.00 75.24 H new ATOM 0 HG2 MET A 75 -17.916 4.782 -19.799 1.00 41.13 H new ATOM 0 HG3 MET A 75 -19.385 5.388 -20.537 1.00 41.13 H new ATOM 0 HE1 MET A 75 -17.893 5.459 -23.960 1.00 4.33 H new ATOM 0 HE2 MET A 75 -18.329 4.196 -22.784 1.00 4.33 H new ATOM 0 HE3 MET A 75 -19.383 5.613 -22.999 1.00 4.33 H new ATOM 1252 N VAL A 76 -19.244 8.202 -16.593 1.00 61.44 N ATOM 1253 CA VAL A 76 -19.197 9.355 -15.703 1.00 21.03 C ATOM 1254 C VAL A 76 -18.839 8.937 -14.281 1.00 11.21 C ATOM 1255 O VAL A 76 -17.981 9.545 -13.642 1.00 11.22 O ATOM 1256 CB VAL A 76 -20.543 10.104 -15.683 1.00 23.23 C ATOM 1257 CG1 VAL A 76 -20.479 11.292 -14.736 1.00 4.34 C ATOM 1258 CG2 VAL A 76 -20.925 10.550 -17.086 1.00 63.20 C ATOM 0 H VAL A 76 -20.156 8.034 -17.018 1.00 61.44 H new ATOM 0 HA VAL A 76 -18.425 10.021 -16.088 1.00 21.03 H new ATOM 0 HB VAL A 76 -21.313 9.423 -15.321 1.00 23.23 H new ATOM 0 HG11 VAL A 76 -21.439 11.809 -14.735 1.00 4.34 H new ATOM 0 HG12 VAL A 76 -20.254 10.942 -13.728 1.00 4.34 H new ATOM 0 HG13 VAL A 76 -19.698 11.978 -15.065 1.00 4.34 H new ATOM 0 HG21 VAL A 76 -21.878 11.077 -17.053 1.00 63.20 H new ATOM 0 HG22 VAL A 76 -20.156 11.215 -17.478 1.00 63.20 H new ATOM 0 HG23 VAL A 76 -21.015 9.678 -17.733 1.00 63.20 H new ATOM 1268 N ALA A 77 -19.502 7.895 -13.792 1.00 35.33 N ATOM 1269 CA ALA A 77 -19.253 7.393 -12.446 1.00 3.40 C ATOM 1270 C ALA A 77 -17.779 7.053 -12.252 1.00 30.03 C ATOM 1271 O ALA A 77 -17.215 7.288 -11.184 1.00 5.42 O ATOM 1272 CB ALA A 77 -20.119 6.174 -12.168 1.00 12.03 C ATOM 0 H ALA A 77 -20.216 7.381 -14.308 1.00 35.33 H new ATOM 0 HA ALA A 77 -19.515 8.179 -11.737 1.00 3.40 H new ATOM 0 HB1 ALA A 77 -19.922 5.810 -11.160 1.00 12.03 H new ATOM 0 HB2 ALA A 77 -21.171 6.447 -12.257 1.00 12.03 H new ATOM 0 HB3 ALA A 77 -19.886 5.390 -12.888 1.00 12.03 H new ATOM 1278 N GLN A 78 -17.163 6.498 -13.290 1.00 62.42 N ATOM 1279 CA GLN A 78 -15.755 6.124 -13.232 1.00 24.23 C ATOM 1280 C GLN A 78 -14.871 7.356 -13.070 1.00 24.14 C ATOM 1281 O GLN A 78 -13.807 7.292 -12.453 1.00 61.11 O ATOM 1282 CB GLN A 78 -15.356 5.358 -14.494 1.00 63.23 C ATOM 1283 CG GLN A 78 -15.409 3.847 -14.332 1.00 13.31 C ATOM 1284 CD GLN A 78 -16.279 3.178 -15.378 1.00 11.41 C ATOM 1285 OE1 GLN A 78 -17.198 2.427 -15.050 1.00 23.21 O ATOM 1286 NE2 GLN A 78 -15.994 3.449 -16.646 1.00 62.33 N ATOM 0 H GLN A 78 -17.616 6.297 -14.181 1.00 62.42 H new ATOM 0 HA GLN A 78 -15.612 5.480 -12.364 1.00 24.23 H new ATOM 0 HB2 GLN A 78 -16.016 5.651 -15.310 1.00 63.23 H new ATOM 0 HB3 GLN A 78 -14.346 5.649 -14.781 1.00 63.23 H new ATOM 0 HG2 GLN A 78 -14.398 3.443 -14.393 1.00 13.31 H new ATOM 0 HG3 GLN A 78 -15.789 3.605 -13.340 1.00 13.31 H new ATOM 0 HE21 GLN A 78 -15.223 4.077 -16.872 1.00 62.33 H new ATOM 0 HE22 GLN A 78 -16.546 3.029 -17.394 1.00 62.33 H new ATOM 1295 N ARG A 79 -15.318 8.476 -13.627 1.00 44.43 N ATOM 1296 CA ARG A 79 -14.566 9.723 -13.546 1.00 11.02 C ATOM 1297 C ARG A 79 -14.312 10.110 -12.092 1.00 4.30 C ATOM 1298 O ARG A 79 -13.204 10.510 -11.729 1.00 72.24 O ATOM 1299 CB ARG A 79 -15.321 10.846 -14.259 1.00 52.12 C ATOM 1300 CG ARG A 79 -14.416 11.802 -15.019 1.00 62.42 C ATOM 1301 CD ARG A 79 -13.947 11.198 -16.334 1.00 55.21 C ATOM 1302 NE ARG A 79 -13.544 12.223 -17.293 1.00 64.34 N ATOM 1303 CZ ARG A 79 -14.401 12.910 -18.040 1.00 34.25 C ATOM 1304 NH1 ARG A 79 -15.704 12.683 -17.937 1.00 43.22 N ATOM 1305 NH2 ARG A 79 -13.957 13.826 -18.890 1.00 1.20 N ATOM 0 H ARG A 79 -16.197 8.546 -14.139 1.00 44.43 H new ATOM 0 HA ARG A 79 -13.605 9.572 -14.038 1.00 11.02 H new ATOM 0 HB2 ARG A 79 -16.037 10.407 -14.954 1.00 52.12 H new ATOM 0 HB3 ARG A 79 -15.895 11.410 -13.524 1.00 52.12 H new ATOM 0 HG2 ARG A 79 -14.950 12.732 -15.214 1.00 62.42 H new ATOM 0 HG3 ARG A 79 -13.552 12.053 -14.404 1.00 62.42 H new ATOM 0 HD2 ARG A 79 -13.109 10.527 -16.146 1.00 55.21 H new ATOM 0 HD3 ARG A 79 -14.748 10.595 -16.762 1.00 55.21 H new ATOM 0 HE ARG A 79 -12.549 12.423 -17.395 1.00 64.34 H new ATOM 0 HH11 ARG A 79 -16.049 11.980 -17.283 1.00 43.22 H new ATOM 0 HH12 ARG A 79 -16.361 13.211 -18.511 1.00 43.22 H new ATOM 0 HH21 ARG A 79 -12.956 14.004 -18.971 1.00 1.20 H new ATOM 0 HH22 ARG A 79 -14.617 14.353 -19.463 1.00 1.20 H new ATOM 1319 N LEU A 80 -15.343 9.990 -11.264 1.00 13.01 N ATOM 1320 CA LEU A 80 -15.232 10.328 -9.849 1.00 72.21 C ATOM 1321 C LEU A 80 -15.000 9.077 -9.007 1.00 43.23 C ATOM 1322 O LEU A 80 -14.800 9.162 -7.796 1.00 33.11 O ATOM 1323 CB LEU A 80 -16.496 11.047 -9.376 1.00 13.44 C ATOM 1324 CG LEU A 80 -17.782 10.220 -9.382 1.00 52.05 C ATOM 1325 CD1 LEU A 80 -18.724 10.688 -8.284 1.00 21.12 C ATOM 1326 CD2 LEU A 80 -18.462 10.303 -10.741 1.00 72.43 C ATOM 0 H LEU A 80 -16.266 9.661 -11.548 1.00 13.01 H new ATOM 0 HA LEU A 80 -14.376 10.991 -9.725 1.00 72.21 H new ATOM 0 HB2 LEU A 80 -16.326 11.409 -8.362 1.00 13.44 H new ATOM 0 HB3 LEU A 80 -16.649 11.923 -10.006 1.00 13.44 H new ATOM 0 HG LEU A 80 -17.522 9.179 -9.190 1.00 52.05 H new ATOM 0 HD11 LEU A 80 -19.633 10.087 -8.304 1.00 21.12 H new ATOM 0 HD12 LEU A 80 -18.237 10.577 -7.315 1.00 21.12 H new ATOM 0 HD13 LEU A 80 -18.978 11.736 -8.444 1.00 21.12 H new ATOM 0 HD21 LEU A 80 -19.376 9.709 -10.728 1.00 72.43 H new ATOM 0 HD22 LEU A 80 -18.708 11.342 -10.962 1.00 72.43 H new ATOM 0 HD23 LEU A 80 -17.790 9.918 -11.508 1.00 72.43 H new ATOM 1338 N GLN A 81 -15.025 7.919 -9.658 1.00 60.23 N ATOM 1339 CA GLN A 81 -14.815 6.651 -8.969 1.00 53.12 C ATOM 1340 C GLN A 81 -15.953 6.367 -7.994 1.00 73.34 C ATOM 1341 O GLN A 81 -15.719 6.061 -6.825 1.00 35.22 O ATOM 1342 CB GLN A 81 -13.480 6.667 -8.223 1.00 34.15 C ATOM 1343 CG GLN A 81 -12.791 5.313 -8.180 1.00 30.32 C ATOM 1344 CD GLN A 81 -11.953 5.123 -6.931 1.00 13.54 C ATOM 1345 OE1 GLN A 81 -12.351 5.522 -5.836 1.00 14.52 O ATOM 1346 NE2 GLN A 81 -10.785 4.512 -7.088 1.00 32.31 N ATOM 0 H GLN A 81 -15.188 7.832 -10.661 1.00 60.23 H new ATOM 0 HA GLN A 81 -14.795 5.858 -9.717 1.00 53.12 H new ATOM 0 HB2 GLN A 81 -12.816 7.388 -8.699 1.00 34.15 H new ATOM 0 HB3 GLN A 81 -13.647 7.013 -7.203 1.00 34.15 H new ATOM 0 HG2 GLN A 81 -13.543 4.525 -8.232 1.00 30.32 H new ATOM 0 HG3 GLN A 81 -12.156 5.205 -9.059 1.00 30.32 H new ATOM 0 HE21 GLN A 81 -10.494 4.197 -8.014 1.00 32.31 H new ATOM 0 HE22 GLN A 81 -10.178 4.357 -6.283 1.00 32.31 H new ATOM 1355 N ILE A 82 -17.184 6.470 -8.484 1.00 34.14 N ATOM 1356 CA ILE A 82 -18.358 6.223 -7.655 1.00 71.04 C ATOM 1357 C ILE A 82 -19.010 4.891 -8.009 1.00 72.32 C ATOM 1358 O ILE A 82 -19.736 4.309 -7.202 1.00 44.34 O ATOM 1359 CB ILE A 82 -19.400 7.347 -7.806 1.00 3.45 C ATOM 1360 CG1 ILE A 82 -20.605 7.080 -6.902 1.00 31.30 C ATOM 1361 CG2 ILE A 82 -19.837 7.474 -9.257 1.00 42.13 C ATOM 1362 CD1 ILE A 82 -21.117 8.316 -6.196 1.00 31.54 C ATOM 0 H ILE A 82 -17.394 6.722 -9.450 1.00 34.14 H new ATOM 0 HA ILE A 82 -18.014 6.194 -6.621 1.00 71.04 H new ATOM 0 HB ILE A 82 -18.943 8.289 -7.502 1.00 3.45 H new ATOM 0 HG12 ILE A 82 -21.410 6.653 -7.500 1.00 31.30 H new ATOM 0 HG13 ILE A 82 -20.331 6.333 -6.157 1.00 31.30 H new ATOM 0 HG21 ILE A 82 -20.573 8.273 -9.347 1.00 42.13 H new ATOM 0 HG22 ILE A 82 -18.972 7.706 -9.878 1.00 42.13 H new ATOM 0 HG23 ILE A 82 -20.279 6.534 -9.587 1.00 42.13 H new ATOM 0 HD11 ILE A 82 -21.971 8.052 -5.573 1.00 31.54 H new ATOM 0 HD12 ILE A 82 -20.327 8.732 -5.571 1.00 31.54 H new ATOM 0 HD13 ILE A 82 -21.422 9.057 -6.935 1.00 31.54 H new ATOM 1374 N SER A 83 -18.745 4.412 -9.220 1.00 72.44 N ATOM 1375 CA SER A 83 -19.308 3.148 -9.683 1.00 3.15 C ATOM 1376 C SER A 83 -18.333 2.426 -10.608 1.00 31.44 C ATOM 1377 O SER A 83 -18.641 2.166 -11.771 1.00 60.00 O ATOM 1378 CB SER A 83 -20.633 3.390 -10.408 1.00 3.40 C ATOM 1379 OG SER A 83 -21.344 4.468 -9.824 1.00 72.11 O ATOM 0 H SER A 83 -18.144 4.880 -9.899 1.00 72.44 H new ATOM 0 HA SER A 83 -19.489 2.519 -8.812 1.00 3.15 H new ATOM 0 HB2 SER A 83 -20.442 3.603 -11.460 1.00 3.40 H new ATOM 0 HB3 SER A 83 -21.242 2.486 -10.371 1.00 3.40 H new ATOM 0 HG SER A 83 -22.289 4.413 -10.078 1.00 72.11 H new ATOM 1385 N ASP A 84 -17.156 2.104 -10.082 1.00 34.13 N ATOM 1386 CA ASP A 84 -16.136 1.410 -10.859 1.00 4.44 C ATOM 1387 C ASP A 84 -16.246 -0.100 -10.675 1.00 60.12 C ATOM 1388 O ASP A 84 -15.307 -0.750 -10.215 1.00 11.14 O ATOM 1389 CB ASP A 84 -14.741 1.886 -10.448 1.00 71.11 C ATOM 1390 CG ASP A 84 -14.178 2.920 -11.403 1.00 1.43 C ATOM 1391 OD1 ASP A 84 -13.640 2.523 -12.457 1.00 40.31 O ATOM 1392 OD2 ASP A 84 -14.274 4.127 -11.095 1.00 14.02 O ATOM 0 H ASP A 84 -16.885 2.313 -9.121 1.00 34.13 H new ATOM 0 HA ASP A 84 -16.296 1.642 -11.912 1.00 4.44 H new ATOM 0 HB2 ASP A 84 -14.786 2.309 -9.444 1.00 71.11 H new ATOM 0 HB3 ASP A 84 -14.067 1.031 -10.404 1.00 71.11 H new ATOM 1397 N TYR A 85 -17.399 -0.652 -11.037 1.00 64.04 N ATOM 1398 CA TYR A 85 -17.633 -2.085 -10.910 1.00 31.44 C ATOM 1399 C TYR A 85 -17.774 -2.486 -9.444 1.00 50.22 C ATOM 1400 O TYR A 85 -18.418 -1.791 -8.659 1.00 55.44 O ATOM 1401 CB TYR A 85 -16.491 -2.870 -11.557 1.00 23.14 C ATOM 1402 CG TYR A 85 -16.016 -2.280 -12.865 1.00 44.21 C ATOM 1403 CD1 TYR A 85 -16.919 -1.937 -13.864 1.00 20.42 C ATOM 1404 CD2 TYR A 85 -14.664 -2.065 -13.103 1.00 63.42 C ATOM 1405 CE1 TYR A 85 -16.490 -1.398 -15.061 1.00 64.42 C ATOM 1406 CE2 TYR A 85 -14.225 -1.526 -14.297 1.00 15.42 C ATOM 1407 CZ TYR A 85 -15.142 -1.194 -15.273 1.00 11.03 C ATOM 1408 OH TYR A 85 -14.709 -0.657 -16.464 1.00 34.33 O ATOM 0 H TYR A 85 -18.186 -0.128 -11.421 1.00 64.04 H new ATOM 0 HA TYR A 85 -18.564 -2.322 -11.425 1.00 31.44 H new ATOM 0 HB2 TYR A 85 -15.652 -2.914 -10.862 1.00 23.14 H new ATOM 0 HB3 TYR A 85 -16.818 -3.896 -11.728 1.00 23.14 H new ATOM 0 HD1 TYR A 85 -17.975 -2.095 -13.701 1.00 20.42 H new ATOM 0 HD2 TYR A 85 -13.944 -2.324 -12.341 1.00 63.42 H new ATOM 0 HE1 TYR A 85 -17.206 -1.138 -15.827 1.00 64.42 H new ATOM 0 HE2 TYR A 85 -13.170 -1.366 -14.465 1.00 15.42 H new ATOM 0 HH TYR A 85 -13.732 -0.578 -16.451 1.00 34.33 H new ATOM 1418 N GLN A 86 -17.166 -3.611 -9.084 1.00 24.21 N ATOM 1419 CA GLN A 86 -17.223 -4.105 -7.713 1.00 42.12 C ATOM 1420 C GLN A 86 -16.845 -3.008 -6.723 1.00 51.12 C ATOM 1421 O GLN A 86 -17.374 -2.953 -5.613 1.00 45.22 O ATOM 1422 CB GLN A 86 -16.291 -5.306 -7.542 1.00 2.21 C ATOM 1423 CG GLN A 86 -14.889 -5.070 -8.080 1.00 41.53 C ATOM 1424 CD GLN A 86 -13.898 -6.114 -7.606 1.00 2.23 C ATOM 1425 OE1 GLN A 86 -14.015 -6.640 -6.499 1.00 12.14 O ATOM 1426 NE2 GLN A 86 -12.914 -6.420 -8.443 1.00 23.11 N ATOM 0 H GLN A 86 -16.628 -4.198 -9.722 1.00 24.21 H new ATOM 0 HA GLN A 86 -18.247 -4.417 -7.508 1.00 42.12 H new ATOM 0 HB2 GLN A 86 -16.227 -5.558 -6.483 1.00 2.21 H new ATOM 0 HB3 GLN A 86 -16.725 -6.168 -8.049 1.00 2.21 H new ATOM 0 HG2 GLN A 86 -14.917 -5.070 -9.170 1.00 41.53 H new ATOM 0 HG3 GLN A 86 -14.547 -4.083 -7.770 1.00 41.53 H new ATOM 0 HE21 GLN A 86 -12.855 -5.959 -9.351 1.00 23.11 H new ATOM 0 HE22 GLN A 86 -12.217 -7.116 -8.178 1.00 23.11 H new ATOM 1435 N GLN A 87 -15.928 -2.138 -7.133 1.00 40.23 N ATOM 1436 CA GLN A 87 -15.479 -1.043 -6.281 1.00 54.01 C ATOM 1437 C GLN A 87 -16.660 -0.198 -5.814 1.00 41.21 C ATOM 1438 O GLN A 87 -16.608 0.430 -4.755 1.00 64.34 O ATOM 1439 CB GLN A 87 -14.473 -0.166 -7.028 1.00 72.25 C ATOM 1440 CG GLN A 87 -13.042 -0.337 -6.546 1.00 44.43 C ATOM 1441 CD GLN A 87 -12.155 -1.010 -7.575 1.00 75.25 C ATOM 1442 OE1 GLN A 87 -11.871 -0.445 -8.632 1.00 31.11 O ATOM 1443 NE2 GLN A 87 -11.713 -2.225 -7.272 1.00 52.00 N ATOM 0 H GLN A 87 -15.481 -2.170 -8.050 1.00 40.23 H new ATOM 0 HA GLN A 87 -14.994 -1.473 -5.405 1.00 54.01 H new ATOM 0 HB2 GLN A 87 -14.520 -0.399 -8.092 1.00 72.25 H new ATOM 0 HB3 GLN A 87 -14.762 0.879 -6.918 1.00 72.25 H new ATOM 0 HG2 GLN A 87 -12.627 0.640 -6.298 1.00 44.43 H new ATOM 0 HG3 GLN A 87 -13.040 -0.926 -5.629 1.00 44.43 H new ATOM 0 HE21 GLN A 87 -11.973 -2.656 -6.385 1.00 52.00 H new ATOM 0 HE22 GLN A 87 -11.113 -2.728 -7.927 1.00 52.00 H new ATOM 1452 N LEU A 88 -17.723 -0.185 -6.610 1.00 34.21 N ATOM 1453 CA LEU A 88 -18.918 0.584 -6.278 1.00 71.33 C ATOM 1454 C LEU A 88 -19.419 0.235 -4.880 1.00 53.35 C ATOM 1455 O LEU A 88 -20.061 1.051 -4.220 1.00 54.33 O ATOM 1456 CB LEU A 88 -20.019 0.322 -7.307 1.00 71.44 C ATOM 1457 CG LEU A 88 -20.857 -0.938 -7.088 1.00 20.53 C ATOM 1458 CD1 LEU A 88 -22.068 -0.630 -6.220 1.00 64.14 C ATOM 1459 CD2 LEU A 88 -21.291 -1.530 -8.421 1.00 44.21 C ATOM 0 H LEU A 88 -17.782 -0.698 -7.490 1.00 34.21 H new ATOM 0 HA LEU A 88 -18.656 1.642 -6.296 1.00 71.33 H new ATOM 0 HB2 LEU A 88 -20.689 1.182 -7.320 1.00 71.44 H new ATOM 0 HB3 LEU A 88 -19.559 0.261 -8.294 1.00 71.44 H new ATOM 0 HG LEU A 88 -20.242 -1.674 -6.570 1.00 20.53 H new ATOM 0 HD11 LEU A 88 -22.652 -1.539 -6.075 1.00 64.14 H new ATOM 0 HD12 LEU A 88 -21.736 -0.254 -5.252 1.00 64.14 H new ATOM 0 HD13 LEU A 88 -22.685 0.124 -6.710 1.00 64.14 H new ATOM 0 HD21 LEU A 88 -21.886 -2.426 -8.245 1.00 44.21 H new ATOM 0 HD22 LEU A 88 -21.888 -0.799 -8.967 1.00 44.21 H new ATOM 0 HD23 LEU A 88 -20.410 -1.790 -9.008 1.00 44.21 H new ATOM 1471 N GLU A 89 -19.119 -0.981 -4.436 1.00 33.12 N ATOM 1472 CA GLU A 89 -19.539 -1.436 -3.115 1.00 42.05 C ATOM 1473 C GLU A 89 -18.804 -0.672 -2.018 1.00 2.01 C ATOM 1474 O GLU A 89 -19.398 -0.283 -1.013 1.00 14.32 O ATOM 1475 CB GLU A 89 -19.285 -2.937 -2.964 1.00 72.45 C ATOM 1476 CG GLU A 89 -20.424 -3.682 -2.288 1.00 3.14 C ATOM 1477 CD GLU A 89 -20.736 -5.005 -2.959 1.00 71.11 C ATOM 1478 OE1 GLU A 89 -19.814 -5.838 -3.086 1.00 2.34 O ATOM 1479 OE2 GLU A 89 -21.902 -5.208 -3.358 1.00 22.10 O ATOM 0 H GLU A 89 -18.588 -1.668 -4.970 1.00 33.12 H new ATOM 0 HA GLU A 89 -20.607 -1.244 -3.015 1.00 42.05 H new ATOM 0 HB2 GLU A 89 -19.114 -3.369 -3.950 1.00 72.45 H new ATOM 0 HB3 GLU A 89 -18.372 -3.086 -2.388 1.00 72.45 H new ATOM 0 HG2 GLU A 89 -20.167 -3.860 -1.244 1.00 3.14 H new ATOM 0 HG3 GLU A 89 -21.317 -3.056 -2.294 1.00 3.14 H new ATOM 1486 N SER A 90 -17.507 -0.462 -2.218 1.00 43.22 N ATOM 1487 CA SER A 90 -16.689 0.251 -1.244 1.00 45.43 C ATOM 1488 C SER A 90 -17.054 1.732 -1.208 1.00 51.12 C ATOM 1489 O SER A 90 -17.167 2.329 -0.137 1.00 23.31 O ATOM 1490 CB SER A 90 -15.204 0.089 -1.577 1.00 71.12 C ATOM 1491 OG SER A 90 -14.483 1.272 -1.282 1.00 42.40 O ATOM 0 H SER A 90 -17.000 -0.775 -3.046 1.00 43.22 H new ATOM 0 HA SER A 90 -16.883 -0.178 -0.261 1.00 45.43 H new ATOM 0 HB2 SER A 90 -14.790 -0.744 -1.009 1.00 71.12 H new ATOM 0 HB3 SER A 90 -15.090 -0.157 -2.633 1.00 71.12 H new ATOM 0 HG SER A 90 -13.537 1.142 -1.502 1.00 42.40 H new ATOM 1497 N ILE A 91 -17.238 2.319 -2.386 1.00 60.52 N ATOM 1498 CA ILE A 91 -17.592 3.729 -2.490 1.00 62.31 C ATOM 1499 C ILE A 91 -18.979 3.991 -1.914 1.00 52.25 C ATOM 1500 O ILE A 91 -19.195 4.981 -1.214 1.00 72.41 O ATOM 1501 CB ILE A 91 -17.555 4.212 -3.952 1.00 0.10 C ATOM 1502 CG1 ILE A 91 -16.263 3.754 -4.631 1.00 61.42 C ATOM 1503 CG2 ILE A 91 -17.683 5.727 -4.012 1.00 62.12 C ATOM 1504 CD1 ILE A 91 -15.010 4.193 -3.906 1.00 52.33 C ATOM 0 H ILE A 91 -17.148 1.840 -3.282 1.00 60.52 H new ATOM 0 HA ILE A 91 -16.852 4.284 -1.914 1.00 62.31 H new ATOM 0 HB ILE A 91 -18.398 3.774 -4.486 1.00 0.10 H new ATOM 0 HG12 ILE A 91 -16.267 2.667 -4.706 1.00 61.42 H new ATOM 0 HG13 ILE A 91 -16.239 4.144 -5.649 1.00 61.42 H new ATOM 0 HG21 ILE A 91 -17.655 6.054 -5.052 1.00 62.12 H new ATOM 0 HG22 ILE A 91 -18.628 6.030 -3.561 1.00 62.12 H new ATOM 0 HG23 ILE A 91 -16.858 6.184 -3.466 1.00 62.12 H new ATOM 0 HD11 ILE A 91 -14.133 3.833 -4.444 1.00 52.33 H new ATOM 0 HD12 ILE A 91 -14.982 5.281 -3.854 1.00 52.33 H new ATOM 0 HD13 ILE A 91 -15.011 3.782 -2.897 1.00 52.33 H new ATOM 1516 N TYR A 92 -19.916 3.098 -2.213 1.00 10.11 N ATOM 1517 CA TYR A 92 -21.284 3.233 -1.726 1.00 24.04 C ATOM 1518 C TYR A 92 -21.342 3.059 -0.211 1.00 70.21 C ATOM 1519 O TYR A 92 -22.067 3.774 0.480 1.00 1.45 O ATOM 1520 CB TYR A 92 -22.193 2.206 -2.404 1.00 5.44 C ATOM 1521 CG TYR A 92 -23.664 2.539 -2.302 1.00 1.45 C ATOM 1522 CD1 TYR A 92 -24.157 3.749 -2.775 1.00 42.22 C ATOM 1523 CD2 TYR A 92 -24.561 1.645 -1.731 1.00 1.23 C ATOM 1524 CE1 TYR A 92 -25.500 4.058 -2.683 1.00 51.25 C ATOM 1525 CE2 TYR A 92 -25.906 1.945 -1.636 1.00 50.11 C ATOM 1526 CZ TYR A 92 -26.371 3.153 -2.114 1.00 22.23 C ATOM 1527 OH TYR A 92 -27.710 3.456 -2.020 1.00 62.10 O ATOM 0 H TYR A 92 -19.753 2.273 -2.790 1.00 10.11 H new ATOM 0 HA TYR A 92 -21.633 4.236 -1.972 1.00 24.04 H new ATOM 0 HB2 TYR A 92 -21.919 2.129 -3.456 1.00 5.44 H new ATOM 0 HB3 TYR A 92 -22.019 1.227 -1.957 1.00 5.44 H new ATOM 0 HD1 TYR A 92 -23.478 4.460 -3.222 1.00 42.22 H new ATOM 0 HD2 TYR A 92 -24.200 0.699 -1.355 1.00 1.23 H new ATOM 0 HE1 TYR A 92 -25.866 5.004 -3.055 1.00 51.25 H new ATOM 0 HE2 TYR A 92 -26.590 1.238 -1.190 1.00 50.11 H new ATOM 0 HH TYR A 92 -28.185 2.711 -1.595 1.00 62.10 H new ATOM 1537 N PHE A 93 -20.572 2.102 0.298 1.00 55.40 N ATOM 1538 CA PHE A 93 -20.536 1.832 1.731 1.00 45.45 C ATOM 1539 C PHE A 93 -19.974 3.028 2.495 1.00 21.50 C ATOM 1540 O PHE A 93 -20.567 3.489 3.470 1.00 75.11 O ATOM 1541 CB PHE A 93 -19.691 0.588 2.015 1.00 53.31 C ATOM 1542 CG PHE A 93 -19.961 -0.025 3.359 1.00 12.12 C ATOM 1543 CD1 PHE A 93 -19.584 0.628 4.522 1.00 50.35 C ATOM 1544 CD2 PHE A 93 -20.593 -1.254 3.461 1.00 44.04 C ATOM 1545 CE1 PHE A 93 -19.830 0.066 5.760 1.00 75.24 C ATOM 1546 CE2 PHE A 93 -20.842 -1.821 4.696 1.00 31.31 C ATOM 1547 CZ PHE A 93 -20.461 -1.160 5.847 1.00 14.21 C ATOM 0 H PHE A 93 -19.965 1.501 -0.260 1.00 55.40 H new ATOM 0 HA PHE A 93 -21.557 1.654 2.069 1.00 45.45 H new ATOM 0 HB2 PHE A 93 -19.881 -0.155 1.241 1.00 53.31 H new ATOM 0 HB3 PHE A 93 -18.636 0.853 1.951 1.00 53.31 H new ATOM 0 HD1 PHE A 93 -19.092 1.587 4.460 1.00 50.35 H new ATOM 0 HD2 PHE A 93 -20.895 -1.775 2.564 1.00 44.04 H new ATOM 0 HE1 PHE A 93 -19.529 0.584 6.659 1.00 75.24 H new ATOM 0 HE2 PHE A 93 -21.334 -2.780 4.761 1.00 31.31 H new ATOM 0 HZ PHE A 93 -20.656 -1.601 6.814 1.00 14.21 H new ATOM 1557 N ARG A 94 -18.826 3.523 2.045 1.00 3.35 N ATOM 1558 CA ARG A 94 -18.182 4.663 2.687 1.00 12.24 C ATOM 1559 C ARG A 94 -19.047 5.915 2.566 1.00 22.35 C ATOM 1560 O ARG A 94 -19.068 6.756 3.466 1.00 60.52 O ATOM 1561 CB ARG A 94 -16.808 4.918 2.065 1.00 72.51 C ATOM 1562 CG ARG A 94 -16.872 5.399 0.625 1.00 63.14 C ATOM 1563 CD ARG A 94 -15.492 5.755 0.095 1.00 45.11 C ATOM 1564 NE ARG A 94 -15.553 6.351 -1.237 1.00 74.42 N ATOM 1565 CZ ARG A 94 -16.047 7.560 -1.480 1.00 33.35 C ATOM 1566 NH1 ARG A 94 -16.519 8.298 -0.485 1.00 13.23 N ATOM 1567 NH2 ARG A 94 -16.069 8.033 -2.719 1.00 72.51 N ATOM 0 H ARG A 94 -18.323 3.153 1.239 1.00 3.35 H new ATOM 0 HA ARG A 94 -18.056 4.429 3.744 1.00 12.24 H new ATOM 0 HB2 ARG A 94 -16.279 5.660 2.664 1.00 72.51 H new ATOM 0 HB3 ARG A 94 -16.223 3.999 2.107 1.00 72.51 H new ATOM 0 HG2 ARG A 94 -17.314 4.623 0.000 1.00 63.14 H new ATOM 0 HG3 ARG A 94 -17.524 6.270 0.560 1.00 63.14 H new ATOM 0 HD2 ARG A 94 -15.009 6.450 0.781 1.00 45.11 H new ATOM 0 HD3 ARG A 94 -14.874 4.858 0.062 1.00 45.11 H new ATOM 0 HE ARG A 94 -15.197 5.809 -2.024 1.00 74.42 H new ATOM 0 HH11 ARG A 94 -16.503 7.938 0.469 1.00 13.23 H new ATOM 0 HH12 ARG A 94 -16.898 9.226 -0.674 1.00 13.23 H new ATOM 0 HH21 ARG A 94 -15.706 7.468 -3.487 1.00 72.51 H new ATOM 0 HH22 ARG A 94 -16.449 8.961 -2.904 1.00 72.51 H new ATOM 1581 N ILE A 95 -19.757 6.031 1.450 1.00 74.12 N ATOM 1582 CA ILE A 95 -20.624 7.179 1.212 1.00 25.11 C ATOM 1583 C ILE A 95 -21.908 7.076 2.027 1.00 54.31 C ATOM 1584 O ILE A 95 -22.529 8.087 2.358 1.00 11.40 O ATOM 1585 CB ILE A 95 -20.984 7.313 -0.279 1.00 71.12 C ATOM 1586 CG1 ILE A 95 -19.775 7.807 -1.076 1.00 51.13 C ATOM 1587 CG2 ILE A 95 -22.164 8.257 -0.456 1.00 41.02 C ATOM 1588 CD1 ILE A 95 -19.900 7.580 -2.567 1.00 30.15 C ATOM 0 H ILE A 95 -19.750 5.344 0.696 1.00 74.12 H new ATOM 0 HA ILE A 95 -20.069 8.064 1.524 1.00 25.11 H new ATOM 0 HB ILE A 95 -21.269 6.332 -0.658 1.00 71.12 H new ATOM 0 HG12 ILE A 95 -19.637 8.872 -0.889 1.00 51.13 H new ATOM 0 HG13 ILE A 95 -18.880 7.302 -0.714 1.00 51.13 H new ATOM 0 HG21 ILE A 95 -22.407 8.342 -1.515 1.00 41.02 H new ATOM 0 HG22 ILE A 95 -23.027 7.866 0.084 1.00 41.02 H new ATOM 0 HG23 ILE A 95 -21.905 9.240 -0.063 1.00 41.02 H new ATOM 0 HD11 ILE A 95 -19.007 7.954 -3.068 1.00 30.15 H new ATOM 0 HD12 ILE A 95 -20.007 6.513 -2.765 1.00 30.15 H new ATOM 0 HD13 ILE A 95 -20.776 8.108 -2.943 1.00 30.15 H new ATOM 1600 N LEU A 96 -22.302 5.849 2.349 1.00 65.10 N ATOM 1601 CA LEU A 96 -23.512 5.613 3.128 1.00 53.02 C ATOM 1602 C LEU A 96 -23.206 5.607 4.622 1.00 11.00 C ATOM 1603 O LEU A 96 -24.113 5.671 5.453 1.00 73.21 O ATOM 1604 CB LEU A 96 -24.153 4.285 2.721 1.00 21.35 C ATOM 1605 CG LEU A 96 -25.259 4.367 1.669 1.00 13.22 C ATOM 1606 CD1 LEU A 96 -24.715 4.932 0.366 1.00 35.11 C ATOM 1607 CD2 LEU A 96 -25.881 2.997 1.441 1.00 51.24 C ATOM 0 H LEU A 96 -21.801 5.002 2.082 1.00 65.10 H new ATOM 0 HA LEU A 96 -24.210 6.424 2.923 1.00 53.02 H new ATOM 0 HB2 LEU A 96 -23.370 3.627 2.345 1.00 21.35 H new ATOM 0 HB3 LEU A 96 -24.563 3.814 3.614 1.00 21.35 H new ATOM 0 HG LEU A 96 -26.035 5.039 2.036 1.00 13.22 H new ATOM 0 HD11 LEU A 96 -25.516 4.983 -0.371 1.00 35.11 H new ATOM 0 HD12 LEU A 96 -24.318 5.932 0.541 1.00 35.11 H new ATOM 0 HD13 LEU A 96 -23.920 4.286 -0.007 1.00 35.11 H new ATOM 0 HD21 LEU A 96 -26.666 3.075 0.689 1.00 51.24 H new ATOM 0 HD22 LEU A 96 -25.115 2.303 1.096 1.00 51.24 H new ATOM 0 HD23 LEU A 96 -26.308 2.631 2.375 1.00 51.24 H new ATOM 1619 N LEU A 97 -21.923 5.532 4.957 1.00 1.13 N ATOM 1620 CA LEU A 97 -21.496 5.520 6.352 1.00 0.32 C ATOM 1621 C LEU A 97 -22.257 6.564 7.164 1.00 74.35 C ATOM 1622 O LEU A 97 -22.789 7.536 6.627 1.00 33.12 O ATOM 1623 CB LEU A 97 -19.992 5.781 6.448 1.00 42.41 C ATOM 1624 CG LEU A 97 -19.085 4.567 6.242 1.00 53.41 C ATOM 1625 CD1 LEU A 97 -17.624 4.989 6.224 1.00 73.01 C ATOM 1626 CD2 LEU A 97 -19.329 3.529 7.327 1.00 15.24 C ATOM 0 H LEU A 97 -21.160 5.479 4.282 1.00 1.13 H new ATOM 0 HA LEU A 97 -21.715 4.535 6.764 1.00 0.32 H new ATOM 0 HB2 LEU A 97 -19.727 6.537 5.709 1.00 42.41 H new ATOM 0 HB3 LEU A 97 -19.779 6.206 7.429 1.00 42.41 H new ATOM 0 HG LEU A 97 -19.324 4.118 5.278 1.00 53.41 H new ATOM 0 HD11 LEU A 97 -16.994 4.112 6.076 1.00 73.01 H new ATOM 0 HD12 LEU A 97 -17.459 5.695 5.410 1.00 73.01 H new ATOM 0 HD13 LEU A 97 -17.370 5.463 7.172 1.00 73.01 H new ATOM 0 HD21 LEU A 97 -18.675 2.672 7.165 1.00 15.24 H new ATOM 0 HD22 LEU A 97 -19.118 3.966 8.303 1.00 15.24 H new ATOM 0 HD23 LEU A 97 -20.369 3.204 7.292 1.00 15.24 H new ATOM 1638 N PRO A 98 -22.310 6.360 8.488 1.00 14.33 N ATOM 1639 CA PRO A 98 -23.002 7.274 9.402 1.00 3.34 C ATOM 1640 C PRO A 98 -22.283 8.612 9.538 1.00 40.43 C ATOM 1641 O PRO A 98 -22.904 9.673 9.454 1.00 65.50 O ATOM 1642 CB PRO A 98 -22.986 6.522 10.735 1.00 31.23 C ATOM 1643 CG PRO A 98 -21.809 5.613 10.644 1.00 50.43 C ATOM 1644 CD PRO A 98 -21.699 5.223 9.196 1.00 60.22 C ATOM 0 HA PRO A 98 -24.003 7.523 9.049 1.00 3.34 H new ATOM 0 HB2 PRO A 98 -22.891 7.209 11.576 1.00 31.23 H new ATOM 0 HB3 PRO A 98 -23.909 5.961 10.884 1.00 31.23 H new ATOM 0 HG2 PRO A 98 -20.902 6.113 10.983 1.00 50.43 H new ATOM 0 HG3 PRO A 98 -21.944 4.735 11.276 1.00 50.43 H new ATOM 0 HD2 PRO A 98 -20.661 5.075 8.898 1.00 60.22 H new ATOM 0 HD3 PRO A 98 -22.226 4.291 8.990 1.00 60.22 H new ATOM 1652 N TYR A 99 -20.972 8.556 9.747 1.00 54.14 N ATOM 1653 CA TYR A 99 -20.170 9.764 9.895 1.00 4.14 C ATOM 1654 C TYR A 99 -20.036 10.497 8.564 1.00 72.11 C ATOM 1655 O TYR A 99 -20.082 11.725 8.513 1.00 44.54 O ATOM 1656 CB TYR A 99 -18.783 9.416 10.440 1.00 12.51 C ATOM 1657 CG TYR A 99 -18.815 8.460 11.610 1.00 21.44 C ATOM 1658 CD1 TYR A 99 -19.710 8.642 12.658 1.00 63.23 C ATOM 1659 CD2 TYR A 99 -17.950 7.374 11.669 1.00 2.14 C ATOM 1660 CE1 TYR A 99 -19.742 7.771 13.729 1.00 20.54 C ATOM 1661 CE2 TYR A 99 -17.976 6.497 12.736 1.00 30.03 C ATOM 1662 CZ TYR A 99 -18.874 6.699 13.764 1.00 44.52 C ATOM 1663 OH TYR A 99 -18.902 5.829 14.829 1.00 22.21 O ATOM 0 H TYR A 99 -20.443 7.687 9.818 1.00 54.14 H new ATOM 0 HA TYR A 99 -20.677 10.422 10.601 1.00 4.14 H new ATOM 0 HB2 TYR A 99 -18.187 8.978 9.640 1.00 12.51 H new ATOM 0 HB3 TYR A 99 -18.281 10.334 10.745 1.00 12.51 H new ATOM 0 HD1 TYR A 99 -20.392 9.479 12.634 1.00 63.23 H new ATOM 0 HD2 TYR A 99 -17.245 7.213 10.867 1.00 2.14 H new ATOM 0 HE1 TYR A 99 -20.443 7.928 14.535 1.00 20.54 H new ATOM 0 HE2 TYR A 99 -17.297 5.658 12.765 1.00 30.03 H new ATOM 0 HH TYR A 99 -18.228 5.129 14.698 1.00 22.21 H new ATOM 1673 N GLU A 100 -19.872 9.732 7.489 1.00 41.31 N ATOM 1674 CA GLU A 100 -19.732 10.309 6.157 1.00 64.53 C ATOM 1675 C GLU A 100 -21.013 11.020 5.734 1.00 15.41 C ATOM 1676 O GLU A 100 -20.978 12.158 5.265 1.00 74.03 O ATOM 1677 CB GLU A 100 -19.381 9.220 5.140 1.00 30.23 C ATOM 1678 CG GLU A 100 -19.312 9.723 3.708 1.00 3.55 C ATOM 1679 CD GLU A 100 -18.013 9.350 3.021 1.00 61.02 C ATOM 1680 OE1 GLU A 100 -16.964 9.341 3.699 1.00 14.24 O ATOM 1681 OE2 GLU A 100 -18.045 9.067 1.805 1.00 25.11 O ATOM 0 H GLU A 100 -19.833 8.713 7.514 1.00 41.31 H new ATOM 0 HA GLU A 100 -18.925 11.041 6.189 1.00 64.53 H new ATOM 0 HB2 GLU A 100 -18.420 8.780 5.408 1.00 30.23 H new ATOM 0 HB3 GLU A 100 -20.124 8.425 5.201 1.00 30.23 H new ATOM 0 HG2 GLU A 100 -20.149 9.313 3.142 1.00 3.55 H new ATOM 0 HG3 GLU A 100 -19.424 10.807 3.702 1.00 3.55 H new ATOM 1688 N ARG A 101 -22.144 10.342 5.904 1.00 44.01 N ATOM 1689 CA ARG A 101 -23.437 10.908 5.539 1.00 64.12 C ATOM 1690 C ARG A 101 -23.819 12.044 6.483 1.00 33.44 C ATOM 1691 O ARG A 101 -24.478 13.003 6.082 1.00 15.43 O ATOM 1692 CB ARG A 101 -24.516 9.825 5.563 1.00 75.43 C ATOM 1693 CG ARG A 101 -24.955 9.433 6.964 1.00 14.12 C ATOM 1694 CD ARG A 101 -25.880 8.226 6.942 1.00 54.25 C ATOM 1695 NE ARG A 101 -27.245 8.575 7.328 1.00 1.10 N ATOM 1696 CZ ARG A 101 -28.181 7.676 7.611 1.00 51.22 C ATOM 1697 NH1 ARG A 101 -27.902 6.382 7.551 1.00 65.51 N ATOM 1698 NH2 ARG A 101 -29.400 8.072 7.955 1.00 71.22 N ATOM 0 H ARG A 101 -22.191 9.400 6.292 1.00 44.01 H new ATOM 0 HA ARG A 101 -23.358 11.310 4.529 1.00 64.12 H new ATOM 0 HB2 ARG A 101 -25.384 10.176 5.005 1.00 75.43 H new ATOM 0 HB3 ARG A 101 -24.142 8.940 5.048 1.00 75.43 H new ATOM 0 HG2 ARG A 101 -24.078 9.210 7.572 1.00 14.12 H new ATOM 0 HG3 ARG A 101 -25.464 10.274 7.435 1.00 14.12 H new ATOM 0 HD2 ARG A 101 -25.886 7.792 5.942 1.00 54.25 H new ATOM 0 HD3 ARG A 101 -25.496 7.463 7.619 1.00 54.25 H new ATOM 0 HE ARG A 101 -27.493 9.563 7.383 1.00 1.10 H new ATOM 0 HH11 ARG A 101 -26.966 6.074 7.287 1.00 65.51 H new ATOM 0 HH12 ARG A 101 -28.623 5.694 7.769 1.00 65.51 H new ATOM 0 HH21 ARG A 101 -29.619 9.067 8.002 1.00 71.22 H new ATOM 0 HH22 ARG A 101 -30.118 7.381 8.172 1.00 71.22 H new ATOM 1712 N HIS A 102 -23.402 11.927 7.740 1.00 1.31 N ATOM 1713 CA HIS A 102 -23.701 12.944 8.742 1.00 2.12 C ATOM 1714 C HIS A 102 -22.986 14.252 8.419 1.00 44.43 C ATOM 1715 O HIS A 102 -23.583 15.327 8.473 1.00 41.05 O ATOM 1716 CB HIS A 102 -23.292 12.456 10.132 1.00 10.13 C ATOM 1717 CG HIS A 102 -23.401 13.508 11.192 1.00 0.45 C ATOM 1718 ND1 HIS A 102 -22.304 14.072 11.809 1.00 21.44 N ATOM 1719 CD2 HIS A 102 -24.486 14.101 11.743 1.00 10.14 C ATOM 1720 CE1 HIS A 102 -22.709 14.964 12.695 1.00 34.11 C ATOM 1721 NE2 HIS A 102 -24.030 15.001 12.674 1.00 5.44 N ATOM 0 H HIS A 102 -22.857 11.139 8.089 1.00 1.31 H new ATOM 0 HA HIS A 102 -24.776 13.125 8.730 1.00 2.12 H new ATOM 0 HB2 HIS A 102 -23.917 11.607 10.409 1.00 10.13 H new ATOM 0 HB3 HIS A 102 -22.264 12.096 10.094 1.00 10.13 H new ATOM 0 HD2 HIS A 102 -25.519 13.903 11.496 1.00 10.14 H new ATOM 0 HE1 HIS A 102 -22.070 15.561 13.328 1.00 34.11 H new ATOM 0 HE2 HIS A 102 -24.616 15.601 13.255 1.00 5.44 H new ATOM 1729 N MET A 103 -21.703 14.153 8.084 1.00 54.15 N ATOM 1730 CA MET A 103 -20.908 15.329 7.751 1.00 5.01 C ATOM 1731 C MET A 103 -21.511 16.077 6.566 1.00 22.33 C ATOM 1732 O MET A 103 -21.618 17.303 6.584 1.00 3.30 O ATOM 1733 CB MET A 103 -19.467 14.923 7.433 1.00 11.11 C ATOM 1734 CG MET A 103 -18.540 14.979 8.636 1.00 11.55 C ATOM 1735 SD MET A 103 -18.280 16.660 9.234 1.00 5.54 S ATOM 1736 CE MET A 103 -16.643 16.516 9.948 1.00 41.23 C ATOM 0 H MET A 103 -21.193 13.271 8.036 1.00 54.15 H new ATOM 0 HA MET A 103 -20.909 15.993 8.615 1.00 5.01 H new ATOM 0 HB2 MET A 103 -19.464 13.910 7.029 1.00 11.11 H new ATOM 0 HB3 MET A 103 -19.077 15.578 6.654 1.00 11.11 H new ATOM 0 HG2 MET A 103 -18.957 14.372 9.440 1.00 11.55 H new ATOM 0 HG3 MET A 103 -17.579 14.539 8.370 1.00 11.55 H new ATOM 0 HE1 MET A 103 -16.340 17.478 10.361 1.00 41.23 H new ATOM 0 HE2 MET A 103 -16.656 15.768 10.741 1.00 41.23 H new ATOM 0 HE3 MET A 103 -15.935 16.214 9.177 1.00 41.23 H new ATOM 1746 N ILE A 104 -21.903 15.331 5.539 1.00 20.52 N ATOM 1747 CA ILE A 104 -22.496 15.924 4.347 1.00 20.31 C ATOM 1748 C ILE A 104 -23.966 16.259 4.573 1.00 12.43 C ATOM 1749 O ILE A 104 -24.569 17.006 3.802 1.00 3.34 O ATOM 1750 CB ILE A 104 -22.376 14.985 3.132 1.00 34.11 C ATOM 1751 CG1 ILE A 104 -23.237 13.736 3.338 1.00 3.42 C ATOM 1752 CG2 ILE A 104 -20.923 14.601 2.901 1.00 63.34 C ATOM 1753 CD1 ILE A 104 -23.189 12.771 2.175 1.00 51.04 C ATOM 0 H ILE A 104 -21.821 14.315 5.508 1.00 20.52 H new ATOM 0 HA ILE A 104 -21.944 16.841 4.143 1.00 20.31 H new ATOM 0 HB ILE A 104 -22.737 15.511 2.248 1.00 34.11 H new ATOM 0 HG12 ILE A 104 -22.907 13.222 4.240 1.00 3.42 H new ATOM 0 HG13 ILE A 104 -24.270 14.040 3.505 1.00 3.42 H new ATOM 0 HG21 ILE A 104 -20.855 13.937 2.039 1.00 63.34 H new ATOM 0 HG22 ILE A 104 -20.334 15.499 2.715 1.00 63.34 H new ATOM 0 HG23 ILE A 104 -20.537 14.091 3.783 1.00 63.34 H new ATOM 0 HD11 ILE A 104 -23.822 11.910 2.390 1.00 51.04 H new ATOM 0 HD12 ILE A 104 -23.548 13.269 1.274 1.00 51.04 H new ATOM 0 HD13 ILE A 104 -22.163 12.437 2.021 1.00 51.04 H new ATOM 1765 N SER A 105 -24.538 15.704 5.637 1.00 24.40 N ATOM 1766 CA SER A 105 -25.938 15.942 5.964 1.00 14.34 C ATOM 1767 C SER A 105 -26.148 17.376 6.443 1.00 23.45 C ATOM 1768 O SER A 105 -27.219 17.952 6.259 1.00 34.22 O ATOM 1769 CB SER A 105 -26.407 14.960 7.039 1.00 34.32 C ATOM 1770 OG SER A 105 -27.176 13.912 6.472 1.00 4.45 O ATOM 0 H SER A 105 -24.052 15.086 6.287 1.00 24.40 H new ATOM 0 HA SER A 105 -26.527 15.789 5.060 1.00 14.34 H new ATOM 0 HB2 SER A 105 -25.543 14.543 7.557 1.00 34.32 H new ATOM 0 HB3 SER A 105 -27.001 15.489 7.785 1.00 34.32 H new ATOM 0 HG SER A 105 -28.127 14.144 6.516 1.00 4.45 H new ATOM 1776 N GLN A 106 -25.116 17.944 7.059 1.00 62.21 N ATOM 1777 CA GLN A 106 -25.186 19.309 7.565 1.00 15.33 C ATOM 1778 C GLN A 106 -25.482 20.293 6.438 1.00 13.33 C ATOM 1779 O GLN A 106 -26.212 21.266 6.627 1.00 34.41 O ATOM 1780 CB GLN A 106 -23.876 19.687 8.258 1.00 42.55 C ATOM 1781 CG GLN A 106 -23.967 19.686 9.775 1.00 42.31 C ATOM 1782 CD GLN A 106 -23.181 20.818 10.408 1.00 61.24 C ATOM 1783 OE1 GLN A 106 -21.971 20.935 10.211 1.00 60.52 O ATOM 1784 NE2 GLN A 106 -23.866 21.659 11.173 1.00 50.53 N ATOM 0 H GLN A 106 -24.222 17.480 7.219 1.00 62.21 H new ATOM 0 HA GLN A 106 -25.999 19.360 8.289 1.00 15.33 H new ATOM 0 HB2 GLN A 106 -23.097 18.990 7.949 1.00 42.55 H new ATOM 0 HB3 GLN A 106 -23.569 20.677 7.922 1.00 42.55 H new ATOM 0 HG2 GLN A 106 -25.013 19.764 10.072 1.00 42.31 H new ATOM 0 HG3 GLN A 106 -23.597 18.734 10.157 1.00 42.31 H new ATOM 0 HE21 GLN A 106 -24.868 21.524 11.309 1.00 50.53 H new ATOM 0 HE22 GLN A 106 -23.391 22.440 11.625 1.00 50.53 H new ATOM 1793 N GLU A 107 -24.910 20.033 5.267 1.00 51.32 N ATOM 1794 CA GLU A 107 -25.112 20.898 4.110 1.00 34.21 C ATOM 1795 C GLU A 107 -25.903 20.176 3.023 1.00 73.30 C ATOM 1796 O GLU A 107 -25.827 20.528 1.847 1.00 41.12 O ATOM 1797 CB GLU A 107 -23.766 21.364 3.552 1.00 30.02 C ATOM 1798 CG GLU A 107 -23.843 22.680 2.797 1.00 50.12 C ATOM 1799 CD GLU A 107 -22.733 23.639 3.181 1.00 50.00 C ATOM 1800 OE1 GLU A 107 -21.554 23.232 3.133 1.00 45.25 O ATOM 1801 OE2 GLU A 107 -23.045 24.797 3.530 1.00 43.11 O ATOM 0 H GLU A 107 -24.304 19.231 5.094 1.00 51.32 H new ATOM 0 HA GLU A 107 -25.683 21.768 4.434 1.00 34.21 H new ATOM 0 HB2 GLU A 107 -23.058 21.467 4.374 1.00 30.02 H new ATOM 0 HB3 GLU A 107 -23.372 20.596 2.887 1.00 30.02 H new ATOM 0 HG2 GLU A 107 -23.794 22.483 1.726 1.00 50.12 H new ATOM 0 HG3 GLU A 107 -24.807 23.150 2.991 1.00 50.12 H new ATOM 1808 N GLY A 108 -26.663 19.162 3.426 1.00 21.34 N ATOM 1809 CA GLY A 108 -27.456 18.405 2.476 1.00 54.14 C ATOM 1810 C GLY A 108 -28.406 17.437 3.153 1.00 12.53 C ATOM 1811 O GLY A 108 -28.461 16.260 2.798 1.00 24.31 O ATOM 0 H GLY A 108 -26.743 18.851 4.394 1.00 21.34 H new ATOM 0 HA2 GLY A 108 -28.027 19.094 1.854 1.00 54.14 H new ATOM 0 HA3 GLY A 108 -26.791 17.852 1.812 1.00 54.14 H new ATOM 1815 N ILE A 109 -29.155 17.934 4.132 1.00 31.22 N ATOM 1816 CA ILE A 109 -30.106 17.104 4.861 1.00 14.32 C ATOM 1817 C ILE A 109 -31.104 16.449 3.912 1.00 32.14 C ATOM 1818 O ILE A 109 -31.680 15.405 4.222 1.00 4.42 O ATOM 1819 CB ILE A 109 -30.877 17.924 5.913 1.00 33.41 C ATOM 1820 CG1 ILE A 109 -31.423 19.210 5.290 1.00 60.02 C ATOM 1821 CG2 ILE A 109 -29.979 18.243 7.099 1.00 63.35 C ATOM 1822 CD1 ILE A 109 -32.460 19.903 6.145 1.00 2.54 C ATOM 0 H ILE A 109 -29.122 18.906 4.438 1.00 31.22 H new ATOM 0 HA ILE A 109 -29.528 16.331 5.367 1.00 14.32 H new ATOM 0 HB ILE A 109 -31.719 17.330 6.269 1.00 33.41 H new ATOM 0 HG12 ILE A 109 -30.596 19.896 5.109 1.00 60.02 H new ATOM 0 HG13 ILE A 109 -31.861 18.976 4.320 1.00 60.02 H new ATOM 0 HG21 ILE A 109 -30.538 18.823 7.833 1.00 63.35 H new ATOM 0 HG22 ILE A 109 -29.635 17.315 7.555 1.00 63.35 H new ATOM 0 HG23 ILE A 109 -29.119 18.821 6.759 1.00 63.35 H new ATOM 0 HD11 ILE A 109 -32.802 20.807 5.641 1.00 2.54 H new ATOM 0 HD12 ILE A 109 -33.306 19.234 6.305 1.00 2.54 H new ATOM 0 HD13 ILE A 109 -32.020 20.168 7.107 1.00 2.54 H new ATOM 1834 N LYS A 110 -31.304 17.067 2.753 1.00 10.24 N ATOM 1835 CA LYS A 110 -32.230 16.544 1.756 1.00 22.40 C ATOM 1836 C LYS A 110 -31.847 15.124 1.351 1.00 73.31 C ATOM 1837 O LYS A 110 -32.694 14.344 0.916 1.00 41.14 O ATOM 1838 CB LYS A 110 -32.249 17.450 0.523 1.00 61.53 C ATOM 1839 CG LYS A 110 -33.587 18.129 0.287 1.00 30.55 C ATOM 1840 CD LYS A 110 -33.927 19.094 1.410 1.00 15.13 C ATOM 1841 CE LYS A 110 -33.980 20.531 0.913 1.00 30.43 C ATOM 1842 NZ LYS A 110 -34.157 21.498 2.031 1.00 13.23 N ATOM 0 H LYS A 110 -30.836 17.932 2.481 1.00 10.24 H new ATOM 0 HA LYS A 110 -33.226 16.521 2.198 1.00 22.40 H new ATOM 0 HB2 LYS A 110 -31.478 18.213 0.631 1.00 61.53 H new ATOM 0 HB3 LYS A 110 -31.991 16.859 -0.356 1.00 61.53 H new ATOM 0 HG2 LYS A 110 -33.561 18.667 -0.661 1.00 30.55 H new ATOM 0 HG3 LYS A 110 -34.370 17.375 0.205 1.00 30.55 H new ATOM 0 HD2 LYS A 110 -34.889 18.823 1.846 1.00 15.13 H new ATOM 0 HD3 LYS A 110 -33.183 19.009 2.202 1.00 15.13 H new ATOM 0 HE2 LYS A 110 -33.061 20.763 0.374 1.00 30.43 H new ATOM 0 HE3 LYS A 110 -34.801 20.640 0.205 1.00 30.43 H new ATOM 0 HZ1 LYS A 110 -34.188 22.466 1.651 1.00 13.23 H new ATOM 0 HZ2 LYS A 110 -35.046 21.293 2.530 1.00 13.23 H new ATOM 0 HZ3 LYS A 110 -33.360 21.412 2.694 1.00 13.23 H new ATOM 1856 N GLU A 111 -30.568 14.795 1.499 1.00 43.22 N ATOM 1857 CA GLU A 111 -30.075 13.468 1.148 1.00 1.35 C ATOM 1858 C GLU A 111 -30.482 12.441 2.201 1.00 2.33 C ATOM 1859 O GLU A 111 -30.590 11.249 1.914 1.00 64.33 O ATOM 1860 CB GLU A 111 -28.552 13.488 1.001 1.00 31.11 C ATOM 1861 CG GLU A 111 -28.065 12.991 -0.349 1.00 62.54 C ATOM 1862 CD GLU A 111 -28.696 13.737 -1.509 1.00 11.15 C ATOM 1863 OE1 GLU A 111 -28.658 14.985 -1.500 1.00 55.52 O ATOM 1864 OE2 GLU A 111 -29.228 13.074 -2.423 1.00 65.22 O ATOM 0 H GLU A 111 -29.854 15.429 1.859 1.00 43.22 H new ATOM 0 HA GLU A 111 -30.521 13.183 0.195 1.00 1.35 H new ATOM 0 HB2 GLU A 111 -28.194 14.506 1.155 1.00 31.11 H new ATOM 0 HB3 GLU A 111 -28.111 12.873 1.786 1.00 31.11 H new ATOM 0 HG2 GLU A 111 -26.981 13.096 -0.401 1.00 62.54 H new ATOM 0 HG3 GLU A 111 -28.287 11.928 -0.442 1.00 62.54 H new ATOM 1871 N THR A 112 -30.706 12.913 3.424 1.00 72.11 N ATOM 1872 CA THR A 112 -31.099 12.037 4.521 1.00 52.23 C ATOM 1873 C THR A 112 -32.451 11.388 4.249 1.00 55.24 C ATOM 1874 O THR A 112 -32.606 10.175 4.386 1.00 41.14 O ATOM 1875 CB THR A 112 -31.170 12.804 5.854 1.00 1.55 C ATOM 1876 OG1 THR A 112 -29.931 13.480 6.097 1.00 23.35 O ATOM 1877 CG2 THR A 112 -31.473 11.859 7.007 1.00 4.12 C ATOM 0 H THR A 112 -30.622 13.897 3.679 1.00 72.11 H new ATOM 0 HA THR A 112 -30.336 11.263 4.596 1.00 52.23 H new ATOM 0 HB THR A 112 -31.975 13.536 5.784 1.00 1.55 H new ATOM 0 HG1 THR A 112 -30.006 14.018 6.913 1.00 23.35 H new ATOM 0 HG21 THR A 112 -31.518 12.424 7.938 1.00 4.12 H new ATOM 0 HG22 THR A 112 -32.431 11.368 6.833 1.00 4.12 H new ATOM 0 HG23 THR A 112 -30.687 11.107 7.077 1.00 4.12 H new ATOM 1885 N GLN A 113 -33.427 12.204 3.862 1.00 31.11 N ATOM 1886 CA GLN A 113 -34.767 11.707 3.571 1.00 42.52 C ATOM 1887 C GLN A 113 -34.750 10.767 2.370 1.00 3.12 C ATOM 1888 O GLN A 113 -35.644 9.938 2.206 1.00 13.21 O ATOM 1889 CB GLN A 113 -35.720 12.874 3.306 1.00 4.42 C ATOM 1890 CG GLN A 113 -36.258 13.520 4.573 1.00 20.40 C ATOM 1891 CD GLN A 113 -37.768 13.649 4.566 1.00 74.24 C ATOM 1892 OE1 GLN A 113 -38.475 12.780 4.054 1.00 21.30 O ATOM 1893 NE2 GLN A 113 -38.272 14.737 5.135 1.00 55.51 N ATOM 0 H GLN A 113 -33.315 13.211 3.743 1.00 31.11 H new ATOM 0 HA GLN A 113 -35.118 11.151 4.440 1.00 42.52 H new ATOM 0 HB2 GLN A 113 -35.201 13.629 2.715 1.00 4.42 H new ATOM 0 HB3 GLN A 113 -36.557 12.519 2.705 1.00 4.42 H new ATOM 0 HG2 GLN A 113 -35.952 12.929 5.436 1.00 20.40 H new ATOM 0 HG3 GLN A 113 -35.813 14.508 4.689 1.00 20.40 H new ATOM 0 HE21 GLN A 113 -37.649 15.432 5.547 1.00 55.51 H new ATOM 0 HE22 GLN A 113 -39.282 14.878 5.160 1.00 55.51 H new ATOM 1902 N ALA A 114 -33.726 10.902 1.533 1.00 12.44 N ATOM 1903 CA ALA A 114 -33.592 10.064 0.349 1.00 71.13 C ATOM 1904 C ALA A 114 -33.173 8.647 0.724 1.00 20.50 C ATOM 1905 O ALA A 114 -33.488 7.687 0.019 1.00 3.40 O ATOM 1906 CB ALA A 114 -32.589 10.674 -0.619 1.00 51.11 C ATOM 0 H ALA A 114 -32.977 11.584 1.654 1.00 12.44 H new ATOM 0 HA ALA A 114 -34.565 10.010 -0.139 1.00 71.13 H new ATOM 0 HB1 ALA A 114 -32.499 10.037 -1.499 1.00 51.11 H new ATOM 0 HB2 ALA A 114 -32.931 11.664 -0.921 1.00 51.11 H new ATOM 0 HB3 ALA A 114 -31.618 10.758 -0.131 1.00 51.11 H new ATOM 1912 N LYS A 115 -32.460 8.521 1.838 1.00 34.24 N ATOM 1913 CA LYS A 115 -31.998 7.220 2.309 1.00 42.53 C ATOM 1914 C LYS A 115 -32.440 6.973 3.747 1.00 11.55 C ATOM 1915 O LYS A 115 -31.968 7.633 4.674 1.00 52.13 O ATOM 1916 CB LYS A 115 -30.473 7.132 2.210 1.00 11.44 C ATOM 1917 CG LYS A 115 -29.962 5.733 1.915 1.00 35.35 C ATOM 1918 CD LYS A 115 -29.482 5.037 3.178 1.00 72.20 C ATOM 1919 CE LYS A 115 -30.046 3.628 3.287 1.00 11.41 C ATOM 1920 NZ LYS A 115 -29.233 2.774 4.197 1.00 14.50 N ATOM 0 H LYS A 115 -32.189 9.305 2.432 1.00 34.24 H new ATOM 0 HA LYS A 115 -32.443 6.453 1.675 1.00 42.53 H new ATOM 0 HB2 LYS A 115 -30.129 7.808 1.427 1.00 11.44 H new ATOM 0 HB3 LYS A 115 -30.036 7.479 3.146 1.00 11.44 H new ATOM 0 HG2 LYS A 115 -30.755 5.145 1.453 1.00 35.35 H new ATOM 0 HG3 LYS A 115 -29.145 5.787 1.195 1.00 35.35 H new ATOM 0 HD2 LYS A 115 -28.393 4.995 3.180 1.00 72.20 H new ATOM 0 HD3 LYS A 115 -29.780 5.618 4.051 1.00 72.20 H new ATOM 0 HE2 LYS A 115 -31.072 3.675 3.653 1.00 11.41 H new ATOM 0 HE3 LYS A 115 -30.081 3.173 2.297 1.00 11.41 H new ATOM 0 HZ1 LYS A 115 -29.650 1.822 4.244 1.00 14.50 H new ATOM 0 HZ2 LYS A 115 -28.260 2.708 3.835 1.00 14.50 H new ATOM 0 HZ3 LYS A 115 -29.220 3.194 5.148 1.00 14.50 H new ATOM 1934 N ARG A 116 -33.347 6.019 3.927 1.00 32.13 N ATOM 1935 CA ARG A 116 -33.852 5.685 5.254 1.00 53.15 C ATOM 1936 C ARG A 116 -34.350 6.934 5.976 1.00 75.43 C ATOM 1937 O ARG A 116 -35.336 6.885 6.712 1.00 21.10 O ATOM 1938 CB ARG A 116 -32.761 5.005 6.082 1.00 21.00 C ATOM 1939 CG ARG A 116 -33.166 3.643 6.621 1.00 25.25 C ATOM 1940 CD ARG A 116 -33.450 2.660 5.496 1.00 14.33 C ATOM 1941 NE ARG A 116 -32.719 1.408 5.665 1.00 21.43 N ATOM 1942 CZ ARG A 116 -33.071 0.462 6.529 1.00 71.54 C ATOM 1943 NH1 ARG A 116 -34.139 0.625 7.297 1.00 73.11 N ATOM 1944 NH2 ARG A 116 -32.355 -0.651 6.624 1.00 24.23 N ATOM 0 H ARG A 116 -33.748 5.463 3.171 1.00 32.13 H new ATOM 0 HA ARG A 116 -34.689 4.997 5.134 1.00 53.15 H new ATOM 0 HB2 ARG A 116 -31.868 4.892 5.468 1.00 21.00 H new ATOM 0 HB3 ARG A 116 -32.494 5.652 6.917 1.00 21.00 H new ATOM 0 HG2 ARG A 116 -32.372 3.251 7.256 1.00 25.25 H new ATOM 0 HG3 ARG A 116 -34.052 3.747 7.247 1.00 25.25 H new ATOM 0 HD2 ARG A 116 -34.519 2.453 5.457 1.00 14.33 H new ATOM 0 HD3 ARG A 116 -33.178 3.112 4.542 1.00 14.33 H new ATOM 0 HE ARG A 116 -31.893 1.251 5.088 1.00 21.43 H new ATOM 0 HH11 ARG A 116 -34.693 1.478 7.226 1.00 73.11 H new ATOM 0 HH12 ARG A 116 -34.407 -0.103 7.959 1.00 73.11 H new ATOM 0 HH21 ARG A 116 -31.534 -0.781 6.033 1.00 24.23 H new ATOM 0 HH22 ARG A 116 -32.626 -1.377 7.288 1.00 24.23 H new TER 1958 ARG A 116