USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=23 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 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 81 GLN : amide:sc= -0.0692 K(o=-0.069,f=-0.64) USER MOD Set 3.1: A 70 THR OG1 : rot 132:sc= 0.0328 USER MOD Set 3.2: A 72 GLN : amide:sc= -0.0698 K(o=-0.037,f=-1.4!) USER MOD Set 4.1: A 39 GLN : amide:sc= -2.7 K(o=-2.3,f=-3.2!) USER MOD Set 4.2: A 40 SER OG : rot 35:sc= 0.36 USER MOD Single : A 1 GLN : amide:sc=-0.00851 K(o=-0.0085,f=-0.74) USER MOD Single : A 1 GLN N :NH3+ 160:sc=-0.000221 (180deg=-0.826) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 8 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.0095) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -41:sc= 1.49 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.093) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 157:sc= -6.27! (180deg=-9.1!) 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 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 60:sc= -1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.47 K(o=-2.5,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.67 K(o=-1.7,f=-5.2!) 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= -0.0479 K(o=-0.048,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 154:sc= -0.182 (180deg=-1.11) USER MOD Single : A 83 SER OG : rot 153:sc= -4.17! USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.0983 K(o=-0.098,f=-0.6) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.48) USER MOD Single : A 103 MET CE :methyl 166:sc= -0.029 (180deg=-0.209) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.0445 X(o=-0.045,f=-0.41) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.357 4.066 -5.558 1.00 62.41 N ATOM 2 CA GLN A 1 5.840 3.055 -4.642 1.00 44.44 C ATOM 3 C GLN A 1 4.839 3.666 -3.668 1.00 33.43 C ATOM 4 O GLN A 1 5.205 4.459 -2.801 1.00 44.11 O ATOM 5 CB GLN A 1 6.988 2.402 -3.870 1.00 72.44 C ATOM 6 CG GLN A 1 6.634 1.042 -3.290 1.00 73.12 C ATOM 7 CD GLN A 1 7.835 0.328 -2.702 1.00 33.20 C ATOM 8 OE1 GLN A 1 8.944 0.417 -3.229 1.00 0.01 O ATOM 9 NE2 GLN A 1 7.620 -0.386 -1.603 1.00 75.54 N ATOM 0 H1 GLN A 1 7.252 3.735 -5.971 1.00 62.41 H new ATOM 0 H2 GLN A 1 5.666 4.233 -6.317 1.00 62.41 H new ATOM 0 H3 GLN A 1 6.522 4.952 -5.040 1.00 62.41 H new ATOM 0 HA GLN A 1 5.328 2.294 -5.231 1.00 44.44 H new ATOM 0 HB2 GLN A 1 7.846 2.293 -4.534 1.00 72.44 H new ATOM 0 HB3 GLN A 1 7.294 3.065 -3.060 1.00 72.44 H new ATOM 0 HG2 GLN A 1 5.876 1.167 -2.517 1.00 73.12 H new ATOM 0 HG3 GLN A 1 6.194 0.422 -4.071 1.00 73.12 H new ATOM 0 HE21 GLN A 1 6.684 -0.432 -1.200 1.00 75.54 H new ATOM 0 HE22 GLN A 1 8.391 -0.888 -1.162 1.00 75.54 H new ATOM 18 N SER A 2 3.572 3.290 -3.816 1.00 2.22 N ATOM 19 CA SER A 2 2.516 3.804 -2.951 1.00 65.11 C ATOM 20 C SER A 2 2.380 5.316 -3.100 1.00 2.22 C ATOM 21 O SER A 2 3.098 6.082 -2.456 1.00 12.54 O ATOM 22 CB SER A 2 2.805 3.448 -1.492 1.00 21.45 C ATOM 23 OG SER A 2 2.084 2.294 -1.096 1.00 34.11 O ATOM 0 H SER A 2 3.252 2.632 -4.526 1.00 2.22 H new ATOM 0 HA SER A 2 1.576 3.341 -3.251 1.00 65.11 H new ATOM 0 HB2 SER A 2 3.873 3.276 -1.361 1.00 21.45 H new ATOM 0 HB3 SER A 2 2.536 4.287 -0.850 1.00 21.45 H new ATOM 0 HG SER A 2 2.287 2.086 -0.160 1.00 34.11 H new ATOM 29 N LEU A 3 1.454 5.739 -3.954 1.00 4.15 N ATOM 30 CA LEU A 3 1.222 7.160 -4.188 1.00 43.14 C ATOM 31 C LEU A 3 -0.017 7.374 -5.052 1.00 21.03 C ATOM 32 O LEU A 3 -0.613 6.418 -5.546 1.00 53.41 O ATOM 33 CB LEU A 3 2.442 7.792 -4.862 1.00 20.25 C ATOM 34 CG LEU A 3 2.912 7.129 -6.157 1.00 25.24 C ATOM 35 CD1 LEU A 3 2.904 8.129 -7.302 1.00 2.20 C ATOM 36 CD2 LEU A 3 4.301 6.533 -5.977 1.00 20.33 C ATOM 0 H LEU A 3 0.852 5.119 -4.495 1.00 4.15 H new ATOM 0 HA LEU A 3 1.058 7.640 -3.223 1.00 43.14 H new ATOM 0 HB2 LEU A 3 2.214 8.837 -5.074 1.00 20.25 H new ATOM 0 HB3 LEU A 3 3.269 7.784 -4.152 1.00 20.25 H new ATOM 0 HG LEU A 3 2.221 6.322 -6.401 1.00 25.24 H new ATOM 0 HD11 LEU A 3 3.241 7.639 -8.215 1.00 2.20 H new ATOM 0 HD12 LEU A 3 1.893 8.509 -7.446 1.00 2.20 H new ATOM 0 HD13 LEU A 3 3.572 8.957 -7.066 1.00 2.20 H new ATOM 0 HD21 LEU A 3 4.620 6.065 -6.909 1.00 20.33 H new ATOM 0 HD22 LEU A 3 5.003 7.322 -5.708 1.00 20.33 H new ATOM 0 HD23 LEU A 3 4.276 5.784 -5.185 1.00 20.33 H new ATOM 48 N ASN A 4 -0.397 8.635 -5.230 1.00 70.01 N ATOM 49 CA ASN A 4 -1.564 8.975 -6.036 1.00 35.35 C ATOM 50 C ASN A 4 -1.310 8.684 -7.512 1.00 12.24 C ATOM 51 O ASN A 4 -0.169 8.590 -7.964 1.00 1.33 O ATOM 52 CB ASN A 4 -1.927 10.450 -5.849 1.00 63.55 C ATOM 53 CG ASN A 4 -3.020 10.651 -4.818 1.00 23.34 C ATOM 54 OD1 ASN A 4 -4.163 10.242 -5.020 1.00 71.25 O ATOM 55 ND2 ASN A 4 -2.672 11.284 -3.703 1.00 61.24 N ATOM 0 H ASN A 4 0.086 9.438 -4.827 1.00 70.01 H new ATOM 0 HA ASN A 4 -2.398 8.358 -5.702 1.00 35.35 H new ATOM 0 HB2 ASN A 4 -1.039 11.004 -5.545 1.00 63.55 H new ATOM 0 HB3 ASN A 4 -2.251 10.865 -6.803 1.00 63.55 H new ATOM 0 HD21 ASN A 4 -3.365 11.448 -2.972 1.00 61.24 H new ATOM 0 HD22 ASN A 4 -1.712 11.606 -3.578 1.00 61.24 H new ATOM 62 N PRO A 5 -2.399 8.539 -8.282 1.00 25.10 N ATOM 63 CA PRO A 5 -2.320 8.258 -9.719 1.00 4.34 C ATOM 64 C PRO A 5 -1.795 9.449 -10.514 1.00 33.01 C ATOM 65 O PRO A 5 -1.180 9.282 -11.567 1.00 32.15 O ATOM 66 CB PRO A 5 -3.771 7.957 -10.101 1.00 62.23 C ATOM 67 CG PRO A 5 -4.588 8.675 -9.084 1.00 0.41 C ATOM 68 CD PRO A 5 -3.790 8.638 -7.810 1.00 61.10 C ATOM 0 HA PRO A 5 -1.630 7.444 -9.938 1.00 4.34 H new ATOM 0 HB2 PRO A 5 -3.996 8.307 -11.108 1.00 62.23 H new ATOM 0 HB3 PRO A 5 -3.971 6.886 -10.084 1.00 62.23 H new ATOM 0 HG2 PRO A 5 -4.782 9.702 -9.393 1.00 0.41 H new ATOM 0 HG3 PRO A 5 -5.557 8.194 -8.952 1.00 0.41 H new ATOM 0 HD2 PRO A 5 -3.948 9.535 -7.211 1.00 61.10 H new ATOM 0 HD3 PRO A 5 -4.065 7.786 -7.188 1.00 61.10 H new ATOM 76 N ALA A 6 -2.043 10.651 -10.003 1.00 64.23 N ATOM 77 CA ALA A 6 -1.593 11.869 -10.665 1.00 40.21 C ATOM 78 C ALA A 6 -2.036 11.897 -12.124 1.00 10.10 C ATOM 79 O ALA A 6 -1.373 12.494 -12.974 1.00 32.15 O ATOM 80 CB ALA A 6 -0.080 11.995 -10.569 1.00 23.44 C ATOM 0 H ALA A 6 -2.553 10.807 -9.133 1.00 64.23 H new ATOM 0 HA ALA A 6 -2.050 12.718 -10.157 1.00 40.21 H new ATOM 0 HB1 ALA A 6 0.241 12.909 -11.068 1.00 23.44 H new ATOM 0 HB2 ALA A 6 0.216 12.030 -9.521 1.00 23.44 H new ATOM 0 HB3 ALA A 6 0.388 11.136 -11.050 1.00 23.44 H new ATOM 86 N LEU A 7 -3.159 11.248 -12.409 1.00 35.24 N ATOM 87 CA LEU A 7 -3.691 11.198 -13.766 1.00 72.41 C ATOM 88 C LEU A 7 -4.899 12.117 -13.912 1.00 55.00 C ATOM 89 O LEU A 7 -5.046 12.809 -14.919 1.00 2.41 O ATOM 90 CB LEU A 7 -4.080 9.764 -14.130 1.00 32.32 C ATOM 91 CG LEU A 7 -3.399 9.176 -15.366 1.00 42.43 C ATOM 92 CD1 LEU A 7 -3.644 10.059 -16.580 1.00 65.14 C ATOM 93 CD2 LEU A 7 -1.907 9.004 -15.122 1.00 3.32 C ATOM 0 H LEU A 7 -3.719 10.749 -11.718 1.00 35.24 H new ATOM 0 HA LEU A 7 -2.913 11.541 -14.447 1.00 72.41 H new ATOM 0 HB2 LEU A 7 -3.858 9.122 -13.278 1.00 32.32 H new ATOM 0 HB3 LEU A 7 -5.159 9.729 -14.283 1.00 32.32 H new ATOM 0 HG LEU A 7 -3.830 8.194 -15.563 1.00 42.43 H new ATOM 0 HD11 LEU A 7 -3.152 9.625 -17.451 1.00 65.14 H new ATOM 0 HD12 LEU A 7 -4.715 10.131 -16.767 1.00 65.14 H new ATOM 0 HD13 LEU A 7 -3.240 11.054 -16.393 1.00 65.14 H new ATOM 0 HD21 LEU A 7 -1.439 8.584 -16.012 1.00 3.32 H new ATOM 0 HD22 LEU A 7 -1.461 9.973 -14.900 1.00 3.32 H new ATOM 0 HD23 LEU A 7 -1.751 8.331 -14.279 1.00 3.32 H new ATOM 105 N GLN A 8 -5.761 12.119 -12.900 1.00 4.34 N ATOM 106 CA GLN A 8 -6.955 12.955 -12.915 1.00 52.23 C ATOM 107 C GLN A 8 -7.252 13.507 -11.525 1.00 22.12 C ATOM 108 O GLN A 8 -8.401 13.521 -11.085 1.00 50.22 O ATOM 109 CB GLN A 8 -8.155 12.157 -13.427 1.00 34.42 C ATOM 110 CG GLN A 8 -8.076 11.819 -14.907 1.00 3.41 C ATOM 111 CD GLN A 8 -9.442 11.699 -15.553 1.00 30.05 C ATOM 112 OE1 GLN A 8 -9.789 10.656 -16.108 1.00 51.42 O ATOM 113 NE2 GLN A 8 -10.227 12.768 -15.482 1.00 45.13 N ATOM 0 H GLN A 8 -5.654 11.551 -12.060 1.00 4.34 H new ATOM 0 HA GLN A 8 -6.772 13.794 -13.587 1.00 52.23 H new ATOM 0 HB2 GLN A 8 -8.236 11.232 -12.856 1.00 34.42 H new ATOM 0 HB3 GLN A 8 -9.065 12.727 -13.241 1.00 34.42 H new ATOM 0 HG2 GLN A 8 -7.502 12.590 -15.421 1.00 3.41 H new ATOM 0 HG3 GLN A 8 -7.535 10.881 -15.033 1.00 3.41 H new ATOM 0 HE21 GLN A 8 -9.899 13.612 -15.012 1.00 45.13 H new ATOM 0 HE22 GLN A 8 -11.158 12.745 -15.897 1.00 45.13 H new ATOM 122 N GLU A 9 -6.208 13.960 -10.838 1.00 24.31 N ATOM 123 CA GLU A 9 -6.358 14.511 -9.496 1.00 45.24 C ATOM 124 C GLU A 9 -6.309 16.036 -9.526 1.00 44.15 C ATOM 125 O GLU A 9 -5.641 16.664 -8.705 1.00 25.14 O ATOM 126 CB GLU A 9 -5.262 13.973 -8.574 1.00 64.12 C ATOM 127 CG GLU A 9 -3.855 14.316 -9.035 1.00 71.05 C ATOM 128 CD GLU A 9 -2.792 13.855 -8.058 1.00 2.04 C ATOM 129 OE1 GLU A 9 -3.144 13.152 -7.087 1.00 62.13 O ATOM 130 OE2 GLU A 9 -1.608 14.197 -8.262 1.00 55.21 O ATOM 0 H GLU A 9 -5.250 13.956 -11.188 1.00 24.31 H new ATOM 0 HA GLU A 9 -7.330 14.203 -9.111 1.00 45.24 H new ATOM 0 HB2 GLU A 9 -5.414 14.373 -7.571 1.00 64.12 H new ATOM 0 HB3 GLU A 9 -5.358 12.890 -8.503 1.00 64.12 H new ATOM 0 HG2 GLU A 9 -3.673 13.857 -10.007 1.00 71.05 H new ATOM 0 HG3 GLU A 9 -3.774 15.394 -9.172 1.00 71.05 H new ATOM 137 N LYS A 10 -7.021 16.626 -10.480 1.00 44.35 N ATOM 138 CA LYS A 10 -7.061 18.077 -10.619 1.00 44.25 C ATOM 139 C LYS A 10 -7.676 18.725 -9.383 1.00 43.43 C ATOM 140 O LYS A 10 -8.896 18.854 -9.281 1.00 50.52 O ATOM 141 CB LYS A 10 -7.859 18.469 -11.865 1.00 12.03 C ATOM 142 CG LYS A 10 -6.989 18.862 -13.046 1.00 54.32 C ATOM 143 CD LYS A 10 -6.652 17.662 -13.914 1.00 60.24 C ATOM 144 CE LYS A 10 -7.442 17.674 -15.214 1.00 41.21 C ATOM 145 NZ LYS A 10 -6.565 17.910 -16.394 1.00 44.01 N ATOM 0 H LYS A 10 -7.579 16.121 -11.169 1.00 44.35 H new ATOM 0 HA LYS A 10 -6.037 18.435 -10.724 1.00 44.25 H new ATOM 0 HB2 LYS A 10 -8.496 17.634 -12.156 1.00 12.03 H new ATOM 0 HB3 LYS A 10 -8.518 19.301 -11.617 1.00 12.03 H new ATOM 0 HG2 LYS A 10 -7.505 19.612 -13.645 1.00 54.32 H new ATOM 0 HG3 LYS A 10 -6.069 19.321 -12.684 1.00 54.32 H new ATOM 0 HD2 LYS A 10 -5.585 17.660 -14.136 1.00 60.24 H new ATOM 0 HD3 LYS A 10 -6.865 16.744 -13.366 1.00 60.24 H new ATOM 0 HE2 LYS A 10 -7.961 16.723 -15.332 1.00 41.21 H new ATOM 0 HE3 LYS A 10 -8.205 18.451 -15.168 1.00 41.21 H new ATOM 0 HZ1 LYS A 10 -7.141 17.911 -17.260 1.00 44.01 H new ATOM 0 HZ2 LYS A 10 -6.088 18.829 -16.294 1.00 44.01 H new ATOM 0 HZ3 LYS A 10 -5.852 17.155 -16.453 1.00 44.01 H new ATOM 159 N ILE A 11 -6.824 19.132 -8.448 1.00 42.44 N ATOM 160 CA ILE A 11 -7.284 19.770 -7.221 1.00 75.50 C ATOM 161 C ILE A 11 -7.400 21.280 -7.396 1.00 32.02 C ATOM 162 O ILE A 11 -6.482 21.929 -7.896 1.00 52.44 O ATOM 163 CB ILE A 11 -6.339 19.471 -6.043 1.00 3.43 C ATOM 164 CG1 ILE A 11 -6.932 20.005 -4.737 1.00 25.11 C ATOM 165 CG2 ILE A 11 -4.968 20.081 -6.296 1.00 60.24 C ATOM 166 CD1 ILE A 11 -7.633 18.946 -3.915 1.00 53.41 C ATOM 0 H ILE A 11 -5.811 19.031 -8.517 1.00 42.44 H new ATOM 0 HA ILE A 11 -8.268 19.357 -7.000 1.00 75.50 H new ATOM 0 HB ILE A 11 -6.224 18.391 -5.954 1.00 3.43 H new ATOM 0 HG12 ILE A 11 -6.135 20.449 -4.140 1.00 25.11 H new ATOM 0 HG13 ILE A 11 -7.639 20.802 -4.967 1.00 25.11 H new ATOM 0 HG21 ILE A 11 -4.311 19.861 -5.454 1.00 60.24 H new ATOM 0 HG22 ILE A 11 -4.544 19.659 -7.207 1.00 60.24 H new ATOM 0 HG23 ILE A 11 -5.065 21.161 -6.408 1.00 60.24 H new ATOM 0 HD11 ILE A 11 -8.029 19.395 -3.004 1.00 53.41 H new ATOM 0 HD12 ILE A 11 -8.452 18.519 -4.494 1.00 53.41 H new ATOM 0 HD13 ILE A 11 -6.924 18.160 -3.654 1.00 53.41 H new ATOM 178 N SER A 12 -8.534 21.833 -6.978 1.00 12.31 N ATOM 179 CA SER A 12 -8.771 23.268 -7.090 1.00 35.32 C ATOM 180 C SER A 12 -8.868 23.690 -8.553 1.00 25.02 C ATOM 181 O SER A 12 -7.947 23.464 -9.339 1.00 2.11 O ATOM 182 CB SER A 12 -7.653 24.047 -6.395 1.00 32.23 C ATOM 183 OG SER A 12 -6.664 24.456 -7.323 1.00 1.31 O ATOM 0 H SER A 12 -9.303 21.310 -6.559 1.00 12.31 H new ATOM 0 HA SER A 12 -9.719 23.494 -6.601 1.00 35.32 H new ATOM 0 HB2 SER A 12 -8.071 24.921 -5.895 1.00 32.23 H new ATOM 0 HB3 SER A 12 -7.198 23.426 -5.624 1.00 32.23 H new ATOM 0 HG SER A 12 -6.497 23.733 -7.963 1.00 1.31 H new ATOM 189 N THR A 13 -9.990 24.305 -8.912 1.00 40.32 N ATOM 190 CA THR A 13 -10.209 24.759 -10.280 1.00 22.31 C ATOM 191 C THR A 13 -9.938 26.253 -10.414 1.00 25.31 C ATOM 192 O THR A 13 -8.917 26.660 -10.968 1.00 20.32 O ATOM 193 CB THR A 13 -11.648 24.466 -10.745 1.00 64.14 C ATOM 194 OG1 THR A 13 -11.897 23.056 -10.709 1.00 41.34 O ATOM 195 CG2 THR A 13 -11.878 24.991 -12.154 1.00 61.04 C ATOM 0 H THR A 13 -10.762 24.500 -8.274 1.00 40.32 H new ATOM 0 HA THR A 13 -9.511 24.208 -10.911 1.00 22.31 H new ATOM 0 HB THR A 13 -12.336 24.973 -10.068 1.00 64.14 H new ATOM 0 HG1 THR A 13 -12.814 22.878 -11.004 1.00 41.34 H new ATOM 0 HG21 THR A 13 -12.901 24.773 -12.461 1.00 61.04 H new ATOM 0 HG22 THR A 13 -11.716 26.069 -12.172 1.00 61.04 H new ATOM 0 HG23 THR A 13 -11.182 24.508 -12.840 1.00 61.04 H new ATOM 203 N GLU A 14 -10.857 27.065 -9.903 1.00 35.25 N ATOM 204 CA GLU A 14 -10.716 28.515 -9.966 1.00 61.32 C ATOM 205 C GLU A 14 -10.230 29.073 -8.632 1.00 25.12 C ATOM 206 O GLU A 14 -10.174 30.288 -8.437 1.00 65.05 O ATOM 207 CB GLU A 14 -12.048 29.163 -10.348 1.00 12.24 C ATOM 208 CG GLU A 14 -12.529 28.793 -11.741 1.00 22.44 C ATOM 209 CD GLU A 14 -11.429 28.885 -12.781 1.00 14.11 C ATOM 210 OE1 GLU A 14 -11.185 29.999 -13.289 1.00 41.12 O ATOM 211 OE2 GLU A 14 -10.813 27.842 -13.086 1.00 52.52 O ATOM 0 H GLU A 14 -11.707 26.744 -9.441 1.00 35.25 H new ATOM 0 HA GLU A 14 -9.974 28.749 -10.730 1.00 61.32 H new ATOM 0 HB2 GLU A 14 -12.806 28.870 -9.622 1.00 12.24 H new ATOM 0 HB3 GLU A 14 -11.947 30.246 -10.284 1.00 12.24 H new ATOM 0 HG2 GLU A 14 -12.926 27.778 -11.727 1.00 22.44 H new ATOM 0 HG3 GLU A 14 -13.349 29.452 -12.025 1.00 22.44 H new ATOM 218 N LEU A 15 -9.879 28.177 -7.715 1.00 54.52 N ATOM 219 CA LEU A 15 -9.398 28.579 -6.398 1.00 0.11 C ATOM 220 C LEU A 15 -10.559 28.974 -5.491 1.00 40.41 C ATOM 221 O LEU A 15 -10.384 29.161 -4.288 1.00 3.51 O ATOM 222 CB LEU A 15 -8.416 29.745 -6.526 1.00 21.12 C ATOM 223 CG LEU A 15 -7.231 29.733 -5.559 1.00 41.34 C ATOM 224 CD1 LEU A 15 -6.080 28.924 -6.136 1.00 62.20 C ATOM 225 CD2 LEU A 15 -6.783 31.154 -5.248 1.00 21.22 C ATOM 0 H LEU A 15 -9.919 27.168 -7.860 1.00 54.52 H new ATOM 0 HA LEU A 15 -8.885 27.728 -5.950 1.00 0.11 H new ATOM 0 HB2 LEU A 15 -8.028 29.757 -7.545 1.00 21.12 H new ATOM 0 HB3 LEU A 15 -8.966 30.675 -6.383 1.00 21.12 H new ATOM 0 HG LEU A 15 -7.549 29.262 -4.629 1.00 41.34 H new ATOM 0 HD11 LEU A 15 -5.246 28.927 -5.434 1.00 62.20 H new ATOM 0 HD12 LEU A 15 -6.406 27.898 -6.308 1.00 62.20 H new ATOM 0 HD13 LEU A 15 -5.762 29.366 -7.080 1.00 62.20 H new ATOM 0 HD21 LEU A 15 -5.939 31.127 -4.559 1.00 21.22 H new ATOM 0 HD22 LEU A 15 -6.482 31.651 -6.170 1.00 21.22 H new ATOM 0 HD23 LEU A 15 -7.606 31.704 -4.792 1.00 21.22 H new ATOM 237 N ASN A 16 -11.745 29.098 -6.077 1.00 75.22 N ATOM 238 CA ASN A 16 -12.936 29.469 -5.322 1.00 13.25 C ATOM 239 C ASN A 16 -13.740 28.233 -4.931 1.00 33.31 C ATOM 240 O ASN A 16 -14.182 28.102 -3.790 1.00 62.02 O ATOM 241 CB ASN A 16 -13.810 30.421 -6.141 1.00 44.13 C ATOM 242 CG ASN A 16 -13.059 31.666 -6.574 1.00 73.24 C ATOM 243 OD1 ASN A 16 -12.539 32.411 -5.744 1.00 22.21 O ATOM 244 ND2 ASN A 16 -13.001 31.897 -7.881 1.00 22.42 N ATOM 0 H ASN A 16 -11.907 28.947 -7.073 1.00 75.22 H new ATOM 0 HA ASN A 16 -12.614 29.975 -4.412 1.00 13.25 H new ATOM 0 HB2 ASN A 16 -14.183 29.900 -7.023 1.00 44.13 H new ATOM 0 HB3 ASN A 16 -14.679 30.711 -5.551 1.00 44.13 H new ATOM 0 HD21 ASN A 16 -12.511 32.719 -8.232 1.00 22.42 H new ATOM 0 HD22 ASN A 16 -13.447 31.252 -8.533 1.00 22.42 H new ATOM 251 N ASN A 17 -13.925 27.328 -5.887 1.00 34.24 N ATOM 252 CA ASN A 17 -14.676 26.101 -5.643 1.00 11.42 C ATOM 253 C ASN A 17 -13.835 25.094 -4.865 1.00 64.03 C ATOM 254 O ASN A 17 -14.366 24.186 -4.226 1.00 72.43 O ATOM 255 CB ASN A 17 -15.133 25.487 -6.967 1.00 71.32 C ATOM 256 CG ASN A 17 -15.523 26.538 -7.988 1.00 71.14 C ATOM 257 OD1 ASN A 17 -16.600 27.129 -7.907 1.00 1.11 O ATOM 258 ND2 ASN A 17 -14.647 26.775 -8.957 1.00 44.23 N ATOM 0 H ASN A 17 -13.566 27.421 -6.837 1.00 34.24 H new ATOM 0 HA ASN A 17 -15.552 26.353 -5.046 1.00 11.42 H new ATOM 0 HB2 ASN A 17 -14.332 24.869 -7.373 1.00 71.32 H new ATOM 0 HB3 ASN A 17 -15.982 24.829 -6.785 1.00 71.32 H new ATOM 0 HD21 ASN A 17 -14.855 27.471 -9.673 1.00 44.23 H new ATOM 0 HD22 ASN A 17 -13.766 26.261 -8.985 1.00 44.23 H new ATOM 265 N LYS A 18 -12.518 25.261 -4.924 1.00 3.33 N ATOM 266 CA LYS A 18 -11.601 24.369 -4.224 1.00 42.03 C ATOM 267 C LYS A 18 -11.981 24.242 -2.753 1.00 14.44 C ATOM 268 O LYS A 18 -11.788 23.192 -2.141 1.00 52.11 O ATOM 269 CB LYS A 18 -10.164 24.881 -4.348 1.00 51.32 C ATOM 270 CG LYS A 18 -9.874 26.094 -3.481 1.00 23.11 C ATOM 271 CD LYS A 18 -9.305 25.690 -2.131 1.00 14.43 C ATOM 272 CE LYS A 18 -9.727 26.659 -1.036 1.00 51.14 C ATOM 273 NZ LYS A 18 -8.881 27.885 -1.024 1.00 72.43 N ATOM 0 H LYS A 18 -12.062 26.006 -5.450 1.00 3.33 H new ATOM 0 HA LYS A 18 -11.670 23.384 -4.685 1.00 42.03 H new ATOM 0 HB2 LYS A 18 -9.477 24.079 -4.078 1.00 51.32 H new ATOM 0 HB3 LYS A 18 -9.966 25.133 -5.390 1.00 51.32 H new ATOM 0 HG2 LYS A 18 -9.169 26.748 -3.993 1.00 23.11 H new ATOM 0 HG3 LYS A 18 -10.791 26.665 -3.335 1.00 23.11 H new ATOM 0 HD2 LYS A 18 -9.642 24.685 -1.879 1.00 14.43 H new ATOM 0 HD3 LYS A 18 -8.217 25.656 -2.189 1.00 14.43 H new ATOM 0 HE2 LYS A 18 -10.770 26.939 -1.181 1.00 51.14 H new ATOM 0 HE3 LYS A 18 -9.662 26.163 -0.067 1.00 51.14 H new ATOM 0 HZ1 LYS A 18 -9.200 28.520 -0.264 1.00 72.43 H new ATOM 0 HZ2 LYS A 18 -7.889 27.620 -0.860 1.00 72.43 H new ATOM 0 HZ3 LYS A 18 -8.963 28.372 -1.939 1.00 72.43 H new ATOM 287 N GLN A 19 -12.524 25.318 -2.192 1.00 2.34 N ATOM 288 CA GLN A 19 -12.932 25.326 -0.792 1.00 21.22 C ATOM 289 C GLN A 19 -14.130 24.408 -0.569 1.00 43.41 C ATOM 290 O GLN A 19 -14.157 23.627 0.382 1.00 72.43 O ATOM 291 CB GLN A 19 -13.274 26.748 -0.346 1.00 52.50 C ATOM 292 CG GLN A 19 -12.913 27.036 1.102 1.00 22.33 C ATOM 293 CD GLN A 19 -12.439 28.460 1.314 1.00 11.22 C ATOM 294 OE1 GLN A 19 -12.568 29.308 0.430 1.00 32.51 O ATOM 295 NE2 GLN A 19 -11.887 28.732 2.491 1.00 62.22 N ATOM 0 H GLN A 19 -12.691 26.195 -2.685 1.00 2.34 H new ATOM 0 HA GLN A 19 -12.098 24.957 -0.195 1.00 21.22 H new ATOM 0 HB2 GLN A 19 -12.753 27.457 -0.989 1.00 52.50 H new ATOM 0 HB3 GLN A 19 -14.342 26.917 -0.486 1.00 52.50 H new ATOM 0 HG2 GLN A 19 -13.782 26.849 1.733 1.00 22.33 H new ATOM 0 HG3 GLN A 19 -12.132 26.346 1.422 1.00 22.33 H new ATOM 0 HE21 GLN A 19 -11.800 27.999 3.195 1.00 62.22 H new ATOM 0 HE22 GLN A 19 -11.550 29.674 2.691 1.00 62.22 H new ATOM 304 N TYR A 20 -15.118 24.510 -1.451 1.00 21.51 N ATOM 305 CA TYR A 20 -16.320 23.691 -1.349 1.00 31.20 C ATOM 306 C TYR A 20 -16.014 22.231 -1.672 1.00 54.52 C ATOM 307 O TYR A 20 -16.439 21.325 -0.957 1.00 25.41 O ATOM 308 CB TYR A 20 -17.403 24.218 -2.292 1.00 62.32 C ATOM 309 CG TYR A 20 -18.269 25.295 -1.679 1.00 25.13 C ATOM 310 CD1 TYR A 20 -17.840 26.616 -1.633 1.00 34.23 C ATOM 311 CD2 TYR A 20 -19.515 24.992 -1.146 1.00 34.53 C ATOM 312 CE1 TYR A 20 -18.628 27.603 -1.072 1.00 62.24 C ATOM 313 CE2 TYR A 20 -20.310 25.972 -0.585 1.00 13.43 C ATOM 314 CZ TYR A 20 -19.862 27.276 -0.550 1.00 1.30 C ATOM 315 OH TYR A 20 -20.650 28.257 0.008 1.00 61.12 O ATOM 0 H TYR A 20 -15.110 25.151 -2.244 1.00 21.51 H new ATOM 0 HA TYR A 20 -16.682 23.749 -0.323 1.00 31.20 H new ATOM 0 HB2 TYR A 20 -16.929 24.612 -3.191 1.00 62.32 H new ATOM 0 HB3 TYR A 20 -18.037 23.388 -2.604 1.00 62.32 H new ATOM 0 HD1 TYR A 20 -16.875 26.876 -2.042 1.00 34.23 H new ATOM 0 HD2 TYR A 20 -19.869 23.972 -1.171 1.00 34.53 H new ATOM 0 HE1 TYR A 20 -18.279 28.625 -1.043 1.00 62.24 H new ATOM 0 HE2 TYR A 20 -21.277 25.719 -0.176 1.00 13.43 H new ATOM 0 HH TYR A 20 -21.487 27.861 0.328 1.00 61.12 H new ATOM 325 N GLU A 21 -15.275 22.014 -2.755 1.00 45.42 N ATOM 326 CA GLU A 21 -14.912 20.666 -3.174 1.00 23.41 C ATOM 327 C GLU A 21 -14.070 19.972 -2.106 1.00 41.53 C ATOM 328 O GLU A 21 -14.310 18.813 -1.766 1.00 13.45 O ATOM 329 CB GLU A 21 -14.144 20.708 -4.497 1.00 21.53 C ATOM 330 CG GLU A 21 -15.038 20.621 -5.722 1.00 41.13 C ATOM 331 CD GLU A 21 -15.522 21.980 -6.188 1.00 51.52 C ATOM 332 OE1 GLU A 21 -16.566 22.444 -5.683 1.00 42.23 O ATOM 333 OE2 GLU A 21 -14.856 22.581 -7.058 1.00 74.40 O ATOM 0 H GLU A 21 -14.916 22.754 -3.358 1.00 45.42 H new ATOM 0 HA GLU A 21 -15.831 20.097 -3.314 1.00 23.41 H new ATOM 0 HB2 GLU A 21 -13.567 21.632 -4.543 1.00 21.53 H new ATOM 0 HB3 GLU A 21 -13.430 19.885 -4.519 1.00 21.53 H new ATOM 0 HG2 GLU A 21 -14.492 20.136 -6.532 1.00 41.13 H new ATOM 0 HG3 GLU A 21 -15.898 19.991 -5.496 1.00 41.13 H new ATOM 340 N LEU A 22 -13.082 20.690 -1.583 1.00 30.34 N ATOM 341 CA LEU A 22 -12.203 20.145 -0.554 1.00 20.32 C ATOM 342 C LEU A 22 -12.967 19.904 0.744 1.00 15.10 C ATOM 343 O LEU A 22 -12.667 18.972 1.490 1.00 31.20 O ATOM 344 CB LEU A 22 -11.032 21.095 -0.300 1.00 45.13 C ATOM 345 CG LEU A 22 -10.009 20.637 0.740 1.00 2.32 C ATOM 346 CD1 LEU A 22 -8.612 21.097 0.354 1.00 43.22 C ATOM 347 CD2 LEU A 22 -10.382 21.160 2.120 1.00 24.51 C ATOM 0 H LEU A 22 -12.870 21.650 -1.854 1.00 30.34 H new ATOM 0 HA LEU A 22 -11.818 19.190 -0.910 1.00 20.32 H new ATOM 0 HB2 LEU A 22 -10.512 21.259 -1.244 1.00 45.13 H new ATOM 0 HB3 LEU A 22 -11.433 22.058 0.014 1.00 45.13 H new ATOM 0 HG LEU A 22 -10.014 19.547 0.772 1.00 2.32 H new ATOM 0 HD11 LEU A 22 -7.898 20.762 1.106 1.00 43.22 H new ATOM 0 HD12 LEU A 22 -8.344 20.674 -0.614 1.00 43.22 H new ATOM 0 HD13 LEU A 22 -8.591 22.185 0.293 1.00 43.22 H new ATOM 0 HD21 LEU A 22 -9.643 20.825 2.848 1.00 24.51 H new ATOM 0 HD22 LEU A 22 -10.405 22.250 2.102 1.00 24.51 H new ATOM 0 HD23 LEU A 22 -11.365 20.781 2.399 1.00 24.51 H new ATOM 359 N PHE A 23 -13.959 20.750 1.006 1.00 24.44 N ATOM 360 CA PHE A 23 -14.768 20.628 2.214 1.00 44.35 C ATOM 361 C PHE A 23 -15.491 19.285 2.251 1.00 5.00 C ATOM 362 O PHE A 23 -15.456 18.578 3.257 1.00 21.44 O ATOM 363 CB PHE A 23 -15.784 21.770 2.289 1.00 60.54 C ATOM 364 CG PHE A 23 -15.492 22.762 3.377 1.00 5.13 C ATOM 365 CD1 PHE A 23 -15.296 22.341 4.683 1.00 65.14 C ATOM 366 CD2 PHE A 23 -15.413 24.116 3.095 1.00 11.44 C ATOM 367 CE1 PHE A 23 -15.026 23.252 5.687 1.00 62.41 C ATOM 368 CE2 PHE A 23 -15.143 25.032 4.095 1.00 33.43 C ATOM 369 CZ PHE A 23 -14.951 24.599 5.393 1.00 63.13 C ATOM 0 H PHE A 23 -14.222 21.526 0.399 1.00 24.44 H new ATOM 0 HA PHE A 23 -14.102 20.686 3.075 1.00 44.35 H new ATOM 0 HB2 PHE A 23 -15.806 22.290 1.331 1.00 60.54 H new ATOM 0 HB3 PHE A 23 -16.778 21.351 2.447 1.00 60.54 H new ATOM 0 HD1 PHE A 23 -15.355 21.289 4.919 1.00 65.14 H new ATOM 0 HD2 PHE A 23 -15.564 24.460 2.082 1.00 11.44 H new ATOM 0 HE1 PHE A 23 -14.874 22.911 6.700 1.00 62.41 H new ATOM 0 HE2 PHE A 23 -15.082 26.085 3.862 1.00 33.43 H new ATOM 0 HZ PHE A 23 -14.743 25.313 6.176 1.00 63.13 H new ATOM 379 N MET A 24 -16.145 18.941 1.147 1.00 53.32 N ATOM 380 CA MET A 24 -16.876 17.683 1.053 1.00 73.12 C ATOM 381 C MET A 24 -15.925 16.520 0.786 1.00 13.43 C ATOM 382 O MET A 24 -16.148 15.403 1.253 1.00 3.14 O ATOM 383 CB MET A 24 -17.928 17.761 -0.055 1.00 71.04 C ATOM 384 CG MET A 24 -19.098 16.813 0.149 1.00 33.45 C ATOM 385 SD MET A 24 -20.649 17.679 0.456 1.00 54.43 S ATOM 386 CE MET A 24 -21.837 16.427 -0.024 1.00 12.43 C ATOM 0 H MET A 24 -16.184 19.515 0.305 1.00 53.32 H new ATOM 0 HA MET A 24 -17.375 17.510 2.006 1.00 73.12 H new ATOM 0 HB2 MET A 24 -18.305 18.782 -0.115 1.00 71.04 H new ATOM 0 HB3 MET A 24 -17.454 17.539 -1.011 1.00 71.04 H new ATOM 0 HG2 MET A 24 -19.207 16.182 -0.733 1.00 33.45 H new ATOM 0 HG3 MET A 24 -18.883 16.152 0.989 1.00 33.45 H new ATOM 0 HE1 MET A 24 -22.790 16.622 0.467 1.00 12.43 H new ATOM 0 HE2 MET A 24 -21.974 16.451 -1.105 1.00 12.43 H new ATOM 0 HE3 MET A 24 -21.470 15.444 0.273 1.00 12.43 H new ATOM 396 N LYS A 25 -14.865 16.790 0.032 1.00 10.13 N ATOM 397 CA LYS A 25 -13.879 15.767 -0.296 1.00 50.42 C ATOM 398 C LYS A 25 -13.132 15.311 0.953 1.00 71.31 C ATOM 399 O LYS A 25 -12.831 14.127 1.110 1.00 50.53 O ATOM 400 CB LYS A 25 -12.886 16.301 -1.331 1.00 3.12 C ATOM 401 CG LYS A 25 -11.909 15.252 -1.834 1.00 11.21 C ATOM 402 CD LYS A 25 -10.468 15.670 -1.592 1.00 54.13 C ATOM 403 CE LYS A 25 -10.122 15.647 -0.111 1.00 72.14 C ATOM 404 NZ LYS A 25 -8.705 16.034 0.133 1.00 12.31 N ATOM 0 H LYS A 25 -14.667 17.709 -0.364 1.00 10.13 H new ATOM 0 HA LYS A 25 -14.406 14.910 -0.715 1.00 50.42 H new ATOM 0 HB2 LYS A 25 -13.440 16.706 -2.178 1.00 3.12 H new ATOM 0 HB3 LYS A 25 -12.326 17.127 -0.892 1.00 3.12 H new ATOM 0 HG2 LYS A 25 -12.103 14.303 -1.333 1.00 11.21 H new ATOM 0 HG3 LYS A 25 -12.067 15.088 -2.900 1.00 11.21 H new ATOM 0 HD2 LYS A 25 -9.798 15.002 -2.134 1.00 54.13 H new ATOM 0 HD3 LYS A 25 -10.307 16.672 -1.989 1.00 54.13 H new ATOM 0 HE2 LYS A 25 -10.782 16.327 0.427 1.00 72.14 H new ATOM 0 HE3 LYS A 25 -10.300 14.648 0.288 1.00 72.14 H new ATOM 0 HZ1 LYS A 25 -8.508 16.006 1.154 1.00 12.31 H new ATOM 0 HZ2 LYS A 25 -8.074 15.370 -0.359 1.00 12.31 H new ATOM 0 HZ3 LYS A 25 -8.542 16.997 -0.225 1.00 12.31 H new ATOM 418 N SER A 26 -12.837 16.256 1.840 1.00 53.15 N ATOM 419 CA SER A 26 -12.124 15.951 3.074 1.00 65.31 C ATOM 420 C SER A 26 -13.015 15.174 4.039 1.00 45.32 C ATOM 421 O SER A 26 -12.543 14.310 4.779 1.00 0.44 O ATOM 422 CB SER A 26 -11.635 17.240 3.738 1.00 71.43 C ATOM 423 OG SER A 26 -11.345 17.029 5.109 1.00 61.23 O ATOM 0 H SER A 26 -13.081 17.240 1.726 1.00 53.15 H new ATOM 0 HA SER A 26 -11.263 15.331 2.823 1.00 65.31 H new ATOM 0 HB2 SER A 26 -10.743 17.601 3.226 1.00 71.43 H new ATOM 0 HB3 SER A 26 -12.395 18.015 3.639 1.00 71.43 H new ATOM 0 HG SER A 26 -11.033 17.867 5.510 1.00 61.23 H new ATOM 429 N LEU A 27 -14.305 15.488 4.025 1.00 53.24 N ATOM 430 CA LEU A 27 -15.265 14.821 4.898 1.00 64.11 C ATOM 431 C LEU A 27 -15.516 13.389 4.437 1.00 23.42 C ATOM 432 O LEU A 27 -15.449 12.450 5.232 1.00 42.14 O ATOM 433 CB LEU A 27 -16.582 15.597 4.928 1.00 12.35 C ATOM 434 CG LEU A 27 -16.571 16.907 5.718 1.00 35.42 C ATOM 435 CD1 LEU A 27 -17.929 17.587 5.642 1.00 53.34 C ATOM 436 CD2 LEU A 27 -16.181 16.652 7.167 1.00 52.51 C ATOM 0 H LEU A 27 -14.711 16.201 3.419 1.00 53.24 H new ATOM 0 HA LEU A 27 -14.845 14.792 5.903 1.00 64.11 H new ATOM 0 HB2 LEU A 27 -16.874 15.817 3.901 1.00 12.35 H new ATOM 0 HB3 LEU A 27 -17.353 14.950 5.347 1.00 12.35 H new ATOM 0 HG LEU A 27 -15.829 17.571 5.274 1.00 35.42 H new ATOM 0 HD11 LEU A 27 -17.902 18.517 6.210 1.00 53.34 H new ATOM 0 HD12 LEU A 27 -18.170 17.804 4.601 1.00 53.34 H new ATOM 0 HD13 LEU A 27 -18.690 16.928 6.061 1.00 53.34 H new ATOM 0 HD21 LEU A 27 -16.178 17.595 7.714 1.00 52.51 H new ATOM 0 HD22 LEU A 27 -16.899 15.970 7.622 1.00 52.51 H new ATOM 0 HD23 LEU A 27 -15.186 16.208 7.203 1.00 52.51 H new ATOM 448 N ILE A 28 -15.803 13.228 3.150 1.00 44.42 N ATOM 449 CA ILE A 28 -16.060 11.910 2.583 1.00 11.33 C ATOM 450 C ILE A 28 -14.855 10.992 2.758 1.00 51.25 C ATOM 451 O ILE A 28 -14.993 9.846 3.183 1.00 61.23 O ATOM 452 CB ILE A 28 -16.411 12.000 1.086 1.00 31.34 C ATOM 453 CG1 ILE A 28 -16.548 10.598 0.488 1.00 51.32 C ATOM 454 CG2 ILE A 28 -15.353 12.799 0.341 1.00 64.20 C ATOM 455 CD1 ILE A 28 -17.595 9.748 1.173 1.00 4.05 C ATOM 0 H ILE A 28 -15.863 13.994 2.480 1.00 44.42 H new ATOM 0 HA ILE A 28 -16.911 11.494 3.122 1.00 11.33 H new ATOM 0 HB ILE A 28 -17.366 12.514 0.981 1.00 31.34 H new ATOM 0 HG12 ILE A 28 -16.798 10.686 -0.569 1.00 51.32 H new ATOM 0 HG13 ILE A 28 -15.585 10.091 0.547 1.00 51.32 H new ATOM 0 HG21 ILE A 28 -15.615 12.854 -0.716 1.00 64.20 H new ATOM 0 HG22 ILE A 28 -15.300 13.806 0.754 1.00 64.20 H new ATOM 0 HG23 ILE A 28 -14.385 12.311 0.450 1.00 64.20 H new ATOM 0 HD11 ILE A 28 -17.637 8.768 0.697 1.00 4.05 H new ATOM 0 HD12 ILE A 28 -17.336 9.629 2.225 1.00 4.05 H new ATOM 0 HD13 ILE A 28 -18.568 10.233 1.091 1.00 4.05 H new ATOM 467 N GLU A 29 -13.674 11.506 2.427 1.00 31.44 N ATOM 468 CA GLU A 29 -12.444 10.731 2.549 1.00 55.23 C ATOM 469 C GLU A 29 -12.124 10.445 4.013 1.00 42.11 C ATOM 470 O GLU A 29 -11.585 9.391 4.347 1.00 71.34 O ATOM 471 CB GLU A 29 -11.279 11.478 1.896 1.00 21.25 C ATOM 472 CG GLU A 29 -10.860 12.730 2.649 1.00 34.53 C ATOM 473 CD GLU A 29 -9.924 12.430 3.804 1.00 51.21 C ATOM 474 OE1 GLU A 29 -9.377 11.309 3.850 1.00 74.42 O ATOM 475 OE2 GLU A 29 -9.738 13.319 4.662 1.00 70.24 O ATOM 0 H GLU A 29 -13.543 12.454 2.073 1.00 31.44 H new ATOM 0 HA GLU A 29 -12.590 9.781 2.036 1.00 55.23 H new ATOM 0 HB2 GLU A 29 -10.424 10.806 1.821 1.00 21.25 H new ATOM 0 HB3 GLU A 29 -11.559 11.752 0.879 1.00 21.25 H new ATOM 0 HG2 GLU A 29 -10.371 13.418 1.959 1.00 34.53 H new ATOM 0 HG3 GLU A 29 -11.748 13.236 3.028 1.00 34.53 H new ATOM 482 N ASN A 30 -12.459 11.393 4.882 1.00 11.01 N ATOM 483 CA ASN A 30 -12.206 11.244 6.311 1.00 52.23 C ATOM 484 C ASN A 30 -13.027 10.097 6.892 1.00 53.11 C ATOM 485 O ASN A 30 -12.483 9.183 7.513 1.00 13.43 O ATOM 486 CB ASN A 30 -12.535 12.545 7.046 1.00 24.02 C ATOM 487 CG ASN A 30 -12.500 12.382 8.553 1.00 23.45 C ATOM 488 OD1 ASN A 30 -11.457 12.074 9.132 1.00 52.32 O ATOM 489 ND2 ASN A 30 -13.643 12.587 9.197 1.00 21.23 N ATOM 0 H ASN A 30 -12.906 12.272 4.622 1.00 11.01 H new ATOM 0 HA ASN A 30 -11.149 11.015 6.446 1.00 52.23 H new ATOM 0 HB2 ASN A 30 -11.824 13.316 6.750 1.00 24.02 H new ATOM 0 HB3 ASN A 30 -13.524 12.890 6.743 1.00 24.02 H new ATOM 0 HD21 ASN A 30 -13.681 12.491 10.212 1.00 21.23 H new ATOM 0 HD22 ASN A 30 -14.483 12.841 8.677 1.00 21.23 H new ATOM 496 N CYS A 31 -14.338 10.151 6.685 1.00 13.40 N ATOM 497 CA CYS A 31 -15.235 9.117 7.188 1.00 12.14 C ATOM 498 C CYS A 31 -14.992 7.792 6.474 1.00 24.53 C ATOM 499 O CYS A 31 -14.933 6.736 7.105 1.00 62.43 O ATOM 500 CB CYS A 31 -16.692 9.546 7.011 1.00 74.24 C ATOM 501 SG CYS A 31 -17.187 10.934 8.058 1.00 4.05 S ATOM 0 H CYS A 31 -14.803 10.900 6.172 1.00 13.40 H new ATOM 0 HA CYS A 31 -15.031 8.979 8.250 1.00 12.14 H new ATOM 0 HB2 CYS A 31 -16.856 9.816 5.968 1.00 74.24 H new ATOM 0 HB3 CYS A 31 -17.338 8.695 7.225 1.00 74.24 H new ATOM 0 HG CYS A 31 -16.448 11.968 7.786 1.00 4.05 H new ATOM 507 N LYS A 32 -14.852 7.854 5.154 1.00 31.54 N ATOM 508 CA LYS A 32 -14.615 6.659 4.353 1.00 73.14 C ATOM 509 C LYS A 32 -13.287 6.009 4.724 1.00 24.45 C ATOM 510 O LYS A 32 -13.126 4.793 4.614 1.00 62.05 O ATOM 511 CB LYS A 32 -14.625 7.009 2.863 1.00 45.40 C ATOM 512 CG LYS A 32 -14.443 5.806 1.954 1.00 42.21 C ATOM 513 CD LYS A 32 -13.406 6.073 0.876 1.00 51.53 C ATOM 514 CE LYS A 32 -13.254 4.883 -0.059 1.00 31.03 C ATOM 515 NZ LYS A 32 -13.553 5.245 -1.472 1.00 15.22 N ATOM 0 H LYS A 32 -14.899 8.719 4.616 1.00 31.54 H new ATOM 0 HA LYS A 32 -15.416 5.949 4.559 1.00 73.14 H new ATOM 0 HB2 LYS A 32 -15.568 7.498 2.620 1.00 45.40 H new ATOM 0 HB3 LYS A 32 -13.832 7.729 2.662 1.00 45.40 H new ATOM 0 HG2 LYS A 32 -14.139 4.944 2.547 1.00 42.21 H new ATOM 0 HG3 LYS A 32 -15.396 5.553 1.489 1.00 42.21 H new ATOM 0 HD2 LYS A 32 -13.695 6.953 0.302 1.00 51.53 H new ATOM 0 HD3 LYS A 32 -12.446 6.297 1.341 1.00 51.53 H new ATOM 0 HE2 LYS A 32 -12.238 4.495 0.009 1.00 31.03 H new ATOM 0 HE3 LYS A 32 -13.922 4.083 0.260 1.00 31.03 H new ATOM 0 HZ1 LYS A 32 -13.438 4.407 -2.077 1.00 15.22 H new ATOM 0 HZ2 LYS A 32 -14.531 5.591 -1.542 1.00 15.22 H new ATOM 0 HZ3 LYS A 32 -12.899 5.990 -1.785 1.00 15.22 H new ATOM 529 N LYS A 33 -12.337 6.825 5.168 1.00 41.45 N ATOM 530 CA LYS A 33 -11.022 6.330 5.559 1.00 55.21 C ATOM 531 C LYS A 33 -11.137 5.329 6.704 1.00 71.44 C ATOM 532 O LYS A 33 -10.214 4.555 6.958 1.00 32.33 O ATOM 533 CB LYS A 33 -10.119 7.494 5.974 1.00 71.23 C ATOM 534 CG LYS A 33 -9.146 7.925 4.890 1.00 21.51 C ATOM 535 CD LYS A 33 -7.711 7.599 5.268 1.00 4.33 C ATOM 536 CE LYS A 33 -6.936 8.853 5.644 1.00 25.23 C ATOM 537 NZ LYS A 33 -5.934 9.218 4.605 1.00 42.33 N ATOM 0 H LYS A 33 -12.453 7.834 5.266 1.00 41.45 H new ATOM 0 HA LYS A 33 -10.581 5.824 4.700 1.00 55.21 H new ATOM 0 HB2 LYS A 33 -10.741 8.345 6.251 1.00 71.23 H new ATOM 0 HB3 LYS A 33 -9.556 7.208 6.863 1.00 71.23 H new ATOM 0 HG2 LYS A 33 -9.399 7.427 3.954 1.00 21.51 H new ATOM 0 HG3 LYS A 33 -9.243 8.997 4.717 1.00 21.51 H new ATOM 0 HD2 LYS A 33 -7.704 6.901 6.105 1.00 4.33 H new ATOM 0 HD3 LYS A 33 -7.218 7.101 4.433 1.00 4.33 H new ATOM 0 HE2 LYS A 33 -7.631 9.681 5.785 1.00 25.23 H new ATOM 0 HE3 LYS A 33 -6.430 8.695 6.597 1.00 25.23 H new ATOM 0 HZ1 LYS A 33 -5.427 10.077 4.898 1.00 42.33 H new ATOM 0 HZ2 LYS A 33 -5.255 8.439 4.488 1.00 42.33 H new ATOM 0 HZ3 LYS A 33 -6.419 9.393 3.702 1.00 42.33 H new ATOM 551 N ARG A 34 -12.275 5.348 7.389 1.00 14.33 N ATOM 552 CA ARG A 34 -12.510 4.441 8.506 1.00 10.55 C ATOM 553 C ARG A 34 -12.874 3.046 8.007 1.00 4.21 C ATOM 554 O ARG A 34 -13.046 2.119 8.797 1.00 51.00 O ATOM 555 CB ARG A 34 -13.626 4.981 9.403 1.00 31.20 C ATOM 556 CG ARG A 34 -13.304 4.910 10.887 1.00 65.34 C ATOM 557 CD ARG A 34 -13.350 6.285 11.533 1.00 10.24 C ATOM 558 NE ARG A 34 -13.048 6.229 12.961 1.00 10.21 N ATOM 559 CZ ARG A 34 -11.833 6.002 13.447 1.00 44.21 C ATOM 560 NH1 ARG A 34 -10.811 5.812 12.624 1.00 70.44 N ATOM 561 NH2 ARG A 34 -11.637 5.966 14.759 1.00 52.22 N ATOM 0 H ARG A 34 -13.049 5.982 7.190 1.00 14.33 H new ATOM 0 HA ARG A 34 -11.589 4.372 9.085 1.00 10.55 H new ATOM 0 HB2 ARG A 34 -13.828 6.018 9.133 1.00 31.20 H new ATOM 0 HB3 ARG A 34 -14.539 4.418 9.211 1.00 31.20 H new ATOM 0 HG2 ARG A 34 -14.015 4.250 11.383 1.00 65.34 H new ATOM 0 HG3 ARG A 34 -12.314 4.475 11.025 1.00 65.34 H new ATOM 0 HD2 ARG A 34 -12.636 6.943 11.037 1.00 10.24 H new ATOM 0 HD3 ARG A 34 -14.339 6.721 11.388 1.00 10.24 H new ATOM 0 HE ARG A 34 -13.812 6.372 13.621 1.00 10.21 H new ATOM 0 HH11 ARG A 34 -10.957 5.840 11.615 1.00 70.44 H new ATOM 0 HH12 ARG A 34 -9.879 5.638 13.000 1.00 70.44 H new ATOM 0 HH21 ARG A 34 -12.420 6.113 15.396 1.00 52.22 H new ATOM 0 HH22 ARG A 34 -10.703 5.792 15.131 1.00 52.22 H new ATOM 575 N ASN A 35 -12.989 2.906 6.690 1.00 22.14 N ATOM 576 CA ASN A 35 -13.333 1.624 6.086 1.00 40.35 C ATOM 577 C ASN A 35 -12.391 1.297 4.931 1.00 25.13 C ATOM 578 O ASN A 35 -11.854 0.192 4.849 1.00 54.33 O ATOM 579 CB ASN A 35 -14.780 1.644 5.588 1.00 64.23 C ATOM 580 CG ASN A 35 -15.726 0.929 6.533 1.00 11.40 C ATOM 581 OD1 ASN A 35 -16.207 -0.165 6.238 1.00 3.03 O ATOM 582 ND2 ASN A 35 -15.998 1.548 7.676 1.00 33.54 N ATOM 0 H ASN A 35 -12.849 3.664 6.022 1.00 22.14 H new ATOM 0 HA ASN A 35 -13.228 0.851 6.848 1.00 40.35 H new ATOM 0 HB2 ASN A 35 -15.105 2.677 5.466 1.00 64.23 H new ATOM 0 HB3 ASN A 35 -14.830 1.176 4.605 1.00 64.23 H new ATOM 0 HD21 ASN A 35 -16.629 1.117 8.352 1.00 33.54 H new ATOM 0 HD22 ASN A 35 -15.576 2.454 7.878 1.00 33.54 H new ATOM 589 N MET A 36 -12.193 2.265 4.043 1.00 53.42 N ATOM 590 CA MET A 36 -11.314 2.081 2.894 1.00 30.41 C ATOM 591 C MET A 36 -10.422 3.301 2.691 1.00 63.13 C ATOM 592 O MET A 36 -10.627 4.105 1.781 1.00 65.20 O ATOM 593 CB MET A 36 -12.137 1.820 1.631 1.00 13.22 C ATOM 594 CG MET A 36 -11.293 1.656 0.378 1.00 4.31 C ATOM 595 SD MET A 36 -11.473 0.027 -0.373 1.00 53.22 S ATOM 596 CE MET A 36 -9.901 -0.718 0.052 1.00 32.14 C ATOM 0 H MET A 36 -12.629 3.185 4.097 1.00 53.42 H new ATOM 0 HA MET A 36 -10.679 1.217 3.089 1.00 30.41 H new ATOM 0 HB2 MET A 36 -12.735 0.920 1.777 1.00 13.22 H new ATOM 0 HB3 MET A 36 -12.834 2.645 1.484 1.00 13.22 H new ATOM 0 HG2 MET A 36 -11.575 2.419 -0.347 1.00 4.31 H new ATOM 0 HG3 MET A 36 -10.245 1.823 0.626 1.00 4.31 H new ATOM 0 HE1 MET A 36 -9.860 -1.732 -0.345 1.00 32.14 H new ATOM 0 HE2 MET A 36 -9.091 -0.128 -0.377 1.00 32.14 H new ATOM 0 HE3 MET A 36 -9.794 -0.748 1.136 1.00 32.14 H new ATOM 606 N PRO A 37 -9.408 3.445 3.557 1.00 63.32 N ATOM 607 CA PRO A 37 -8.464 4.565 3.492 1.00 60.40 C ATOM 608 C PRO A 37 -7.544 4.478 2.279 1.00 55.44 C ATOM 609 O PRO A 37 -7.381 3.411 1.686 1.00 44.34 O ATOM 610 CB PRO A 37 -7.657 4.424 4.785 1.00 13.13 C ATOM 611 CG PRO A 37 -7.749 2.979 5.134 1.00 62.54 C ATOM 612 CD PRO A 37 -9.104 2.525 4.666 1.00 61.22 C ATOM 0 HA PRO A 37 -8.975 5.523 3.394 1.00 60.40 H new ATOM 0 HB2 PRO A 37 -6.621 4.731 4.640 1.00 13.13 H new ATOM 0 HB3 PRO A 37 -8.067 5.050 5.578 1.00 13.13 H new ATOM 0 HG2 PRO A 37 -6.957 2.409 4.648 1.00 62.54 H new ATOM 0 HG3 PRO A 37 -7.637 2.829 6.208 1.00 62.54 H new ATOM 0 HD2 PRO A 37 -9.087 1.487 4.334 1.00 61.22 H new ATOM 0 HD3 PRO A 37 -9.847 2.594 5.460 1.00 61.22 H new ATOM 620 N LEU A 38 -6.946 5.607 1.914 1.00 11.03 N ATOM 621 CA LEU A 38 -6.042 5.659 0.771 1.00 63.12 C ATOM 622 C LEU A 38 -4.597 5.840 1.227 1.00 54.22 C ATOM 623 O LEU A 38 -4.290 5.711 2.411 1.00 13.35 O ATOM 624 CB LEU A 38 -6.439 6.800 -0.168 1.00 32.44 C ATOM 625 CG LEU A 38 -6.341 6.503 -1.664 1.00 63.33 C ATOM 626 CD1 LEU A 38 -7.726 6.441 -2.289 1.00 11.14 C ATOM 627 CD2 LEU A 38 -5.486 7.551 -2.361 1.00 1.30 C ATOM 0 H LEU A 38 -7.071 6.499 2.393 1.00 11.03 H new ATOM 0 HA LEU A 38 -6.119 4.713 0.235 1.00 63.12 H new ATOM 0 HB2 LEU A 38 -7.465 7.089 0.058 1.00 32.44 H new ATOM 0 HB3 LEU A 38 -5.809 7.662 0.053 1.00 32.44 H new ATOM 0 HG LEU A 38 -5.864 5.531 -1.791 1.00 63.33 H new ATOM 0 HD11 LEU A 38 -7.635 6.229 -3.354 1.00 11.14 H new ATOM 0 HD12 LEU A 38 -8.306 5.653 -1.810 1.00 11.14 H new ATOM 0 HD13 LEU A 38 -8.230 7.397 -2.151 1.00 11.14 H new ATOM 0 HD21 LEU A 38 -5.427 7.323 -3.425 1.00 1.30 H new ATOM 0 HD22 LEU A 38 -5.934 8.535 -2.224 1.00 1.30 H new ATOM 0 HD23 LEU A 38 -4.484 7.546 -1.933 1.00 1.30 H new ATOM 639 N GLN A 39 -3.716 6.142 0.278 1.00 33.25 N ATOM 640 CA GLN A 39 -2.305 6.342 0.584 1.00 42.52 C ATOM 641 C GLN A 39 -2.084 7.679 1.285 1.00 71.21 C ATOM 642 O GLN A 39 -1.338 7.763 2.261 1.00 54.33 O ATOM 643 CB GLN A 39 -1.470 6.281 -0.697 1.00 15.12 C ATOM 644 CG GLN A 39 -0.019 6.688 -0.498 1.00 33.44 C ATOM 645 CD GLN A 39 0.220 8.157 -0.785 1.00 31.22 C ATOM 646 OE1 GLN A 39 -0.391 8.733 -1.685 1.00 74.22 O ATOM 647 NE2 GLN A 39 1.113 8.772 -0.019 1.00 1.23 N ATOM 0 H GLN A 39 -3.955 6.253 -0.707 1.00 33.25 H new ATOM 0 HA GLN A 39 -1.988 5.544 1.255 1.00 42.52 H new ATOM 0 HB2 GLN A 39 -1.503 5.266 -1.094 1.00 15.12 H new ATOM 0 HB3 GLN A 39 -1.921 6.931 -1.446 1.00 15.12 H new ATOM 0 HG2 GLN A 39 0.278 6.469 0.528 1.00 33.44 H new ATOM 0 HG3 GLN A 39 0.616 6.087 -1.149 1.00 33.44 H new ATOM 0 HE21 GLN A 39 1.596 8.256 0.716 1.00 1.23 H new ATOM 0 HE22 GLN A 39 1.316 9.761 -0.165 1.00 1.23 H new ATOM 656 N SER A 40 -2.737 8.721 0.781 1.00 70.02 N ATOM 657 CA SER A 40 -2.609 10.055 1.356 1.00 22.33 C ATOM 658 C SER A 40 -3.786 10.937 0.951 1.00 20.42 C ATOM 659 O SER A 40 -4.680 11.205 1.755 1.00 45.22 O ATOM 660 CB SER A 40 -1.296 10.701 0.911 1.00 4.21 C ATOM 661 OG SER A 40 -0.254 10.426 1.831 1.00 22.43 O ATOM 0 H SER A 40 -3.360 8.667 -0.025 1.00 70.02 H new ATOM 0 HA SER A 40 -2.608 9.957 2.442 1.00 22.33 H new ATOM 0 HB2 SER A 40 -1.021 10.330 -0.076 1.00 4.21 H new ATOM 0 HB3 SER A 40 -1.430 11.779 0.820 1.00 4.21 H new ATOM 0 HG SER A 40 -0.368 9.523 2.194 1.00 22.43 H new ATOM 667 N ILE A 41 -3.779 11.384 -0.300 1.00 20.20 N ATOM 668 CA ILE A 41 -4.846 12.234 -0.813 1.00 1.33 C ATOM 669 C ILE A 41 -5.692 11.494 -1.843 1.00 31.02 C ATOM 670 O ILE A 41 -5.347 11.410 -3.022 1.00 11.23 O ATOM 671 CB ILE A 41 -4.284 13.518 -1.453 1.00 33.51 C ATOM 672 CG1 ILE A 41 -3.324 14.217 -0.488 1.00 72.24 C ATOM 673 CG2 ILE A 41 -5.418 14.451 -1.850 1.00 40.21 C ATOM 674 CD1 ILE A 41 -3.982 14.671 0.796 1.00 70.12 C ATOM 0 H ILE A 41 -3.046 11.172 -0.977 1.00 20.20 H new ATOM 0 HA ILE A 41 -5.470 12.505 0.038 1.00 1.33 H new ATOM 0 HB ILE A 41 -3.731 13.247 -2.352 1.00 33.51 H new ATOM 0 HG12 ILE A 41 -2.506 13.538 -0.247 1.00 72.24 H new ATOM 0 HG13 ILE A 41 -2.885 15.081 -0.987 1.00 72.24 H new ATOM 0 HG21 ILE A 41 -5.006 15.354 -2.301 1.00 40.21 H new ATOM 0 HG22 ILE A 41 -6.066 13.950 -2.569 1.00 40.21 H new ATOM 0 HG23 ILE A 41 -5.996 14.719 -0.965 1.00 40.21 H new ATOM 0 HD11 ILE A 41 -3.242 15.158 1.432 1.00 70.12 H new ATOM 0 HD12 ILE A 41 -4.782 15.375 0.566 1.00 70.12 H new ATOM 0 HD13 ILE A 41 -4.397 13.808 1.317 1.00 70.12 H new ATOM 686 N PRO A 42 -6.829 10.945 -1.390 1.00 22.50 N ATOM 687 CA PRO A 42 -7.750 10.203 -2.257 1.00 1.34 C ATOM 688 C PRO A 42 -8.469 11.111 -3.249 1.00 63.42 C ATOM 689 O PRO A 42 -9.294 11.937 -2.862 1.00 42.44 O ATOM 690 CB PRO A 42 -8.749 9.591 -1.271 1.00 43.05 C ATOM 691 CG PRO A 42 -8.714 10.494 -0.087 1.00 20.42 C ATOM 692 CD PRO A 42 -7.303 11.005 0.003 1.00 42.11 C ATOM 0 HA PRO A 42 -7.230 9.467 -2.870 1.00 1.34 H new ATOM 0 HB2 PRO A 42 -9.749 9.541 -1.701 1.00 43.05 H new ATOM 0 HB3 PRO A 42 -8.466 8.573 -1.001 1.00 43.05 H new ATOM 0 HG2 PRO A 42 -9.420 11.316 -0.202 1.00 20.42 H new ATOM 0 HG3 PRO A 42 -8.994 9.959 0.820 1.00 20.42 H new ATOM 0 HD2 PRO A 42 -7.268 12.021 0.396 1.00 42.11 H new ATOM 0 HD3 PRO A 42 -6.693 10.387 0.662 1.00 42.11 H new ATOM 700 N GLU A 43 -8.150 10.950 -4.530 1.00 23.53 N ATOM 701 CA GLU A 43 -8.766 11.756 -5.577 1.00 31.50 C ATOM 702 C GLU A 43 -8.794 10.998 -6.901 1.00 60.23 C ATOM 703 O GLU A 43 -7.854 10.275 -7.235 1.00 14.23 O ATOM 704 CB GLU A 43 -8.010 13.075 -5.748 1.00 20.25 C ATOM 705 CG GLU A 43 -8.843 14.176 -6.381 1.00 11.42 C ATOM 706 CD GLU A 43 -8.055 15.454 -6.594 1.00 52.24 C ATOM 707 OE1 GLU A 43 -6.991 15.609 -5.960 1.00 64.54 O ATOM 708 OE2 GLU A 43 -8.504 16.300 -7.396 1.00 41.04 O ATOM 0 H GLU A 43 -7.469 10.269 -4.867 1.00 23.53 H new ATOM 0 HA GLU A 43 -9.792 11.970 -5.279 1.00 31.50 H new ATOM 0 HB2 GLU A 43 -7.659 13.412 -4.773 1.00 20.25 H new ATOM 0 HB3 GLU A 43 -7.127 12.901 -6.362 1.00 20.25 H new ATOM 0 HG2 GLU A 43 -9.230 13.828 -7.339 1.00 11.42 H new ATOM 0 HG3 GLU A 43 -9.704 14.386 -5.746 1.00 11.42 H new ATOM 715 N ILE A 44 -9.878 11.168 -7.651 1.00 2.22 N ATOM 716 CA ILE A 44 -10.028 10.501 -8.938 1.00 51.42 C ATOM 717 C ILE A 44 -10.979 11.271 -9.848 1.00 50.43 C ATOM 718 O ILE A 44 -12.150 11.461 -9.522 1.00 2.40 O ATOM 719 CB ILE A 44 -10.550 9.062 -8.769 1.00 41.33 C ATOM 720 CG1 ILE A 44 -10.773 8.414 -10.137 1.00 32.41 C ATOM 721 CG2 ILE A 44 -11.837 9.057 -7.958 1.00 50.32 C ATOM 722 CD1 ILE A 44 -10.358 6.960 -10.191 1.00 42.14 C ATOM 0 H ILE A 44 -10.665 11.762 -7.389 1.00 2.22 H new ATOM 0 HA ILE A 44 -9.038 10.468 -9.394 1.00 51.42 H new ATOM 0 HB ILE A 44 -9.802 8.481 -8.230 1.00 41.33 H new ATOM 0 HG12 ILE A 44 -11.828 8.492 -10.400 1.00 32.41 H new ATOM 0 HG13 ILE A 44 -10.215 8.971 -10.889 1.00 32.41 H new ATOM 0 HG21 ILE A 44 -12.193 8.033 -7.847 1.00 50.32 H new ATOM 0 HG22 ILE A 44 -11.648 9.484 -6.973 1.00 50.32 H new ATOM 0 HG23 ILE A 44 -12.593 9.651 -8.472 1.00 50.32 H new ATOM 0 HD11 ILE A 44 -10.544 6.565 -11.190 1.00 42.14 H new ATOM 0 HD12 ILE A 44 -9.296 6.876 -9.960 1.00 42.14 H new ATOM 0 HD13 ILE A 44 -10.934 6.390 -9.462 1.00 42.14 H new ATOM 734 N GLY A 45 -10.467 11.711 -10.994 1.00 1.52 N ATOM 735 CA GLY A 45 -11.284 12.454 -11.935 1.00 54.30 C ATOM 736 C GLY A 45 -11.081 13.952 -11.823 1.00 42.35 C ATOM 737 O GLY A 45 -10.302 14.537 -12.575 1.00 24.04 O ATOM 0 H GLY A 45 -9.501 11.566 -11.287 1.00 1.52 H new ATOM 0 HA2 GLY A 45 -11.047 12.133 -12.949 1.00 54.30 H new ATOM 0 HA3 GLY A 45 -12.335 12.219 -11.764 1.00 54.30 H new ATOM 741 N ASN A 46 -11.785 14.575 -10.884 1.00 1.30 N ATOM 742 CA ASN A 46 -11.679 16.015 -10.678 1.00 52.34 C ATOM 743 C ASN A 46 -12.610 16.475 -9.560 1.00 71.14 C ATOM 744 O ASN A 46 -13.199 17.553 -9.634 1.00 13.44 O ATOM 745 CB ASN A 46 -12.010 16.762 -11.972 1.00 74.23 C ATOM 746 CG ASN A 46 -11.019 17.871 -12.270 1.00 35.42 C ATOM 747 OD1 ASN A 46 -10.713 18.692 -11.406 1.00 5.21 O ATOM 748 ND2 ASN A 46 -10.514 17.898 -13.498 1.00 11.45 N ATOM 0 H ASN A 46 -12.435 14.106 -10.254 1.00 1.30 H new ATOM 0 HA ASN A 46 -10.653 16.241 -10.388 1.00 52.34 H new ATOM 0 HB2 ASN A 46 -12.022 16.056 -12.803 1.00 74.23 H new ATOM 0 HB3 ASN A 46 -13.012 17.184 -11.898 1.00 74.23 H new ATOM 0 HD21 ASN A 46 -9.843 18.621 -13.758 1.00 11.45 H new ATOM 0 HD22 ASN A 46 -10.797 17.196 -14.182 1.00 11.45 H new ATOM 755 N ARG A 47 -12.737 15.650 -8.527 1.00 22.54 N ATOM 756 CA ARG A 47 -13.596 15.971 -7.393 1.00 70.34 C ATOM 757 C ARG A 47 -15.056 16.061 -7.827 1.00 34.53 C ATOM 758 O ARG A 47 -15.465 17.023 -8.477 1.00 5.22 O ATOM 759 CB ARG A 47 -13.161 17.290 -6.754 1.00 4.42 C ATOM 760 CG ARG A 47 -12.665 17.140 -5.325 1.00 11.33 C ATOM 761 CD ARG A 47 -11.150 17.243 -5.247 1.00 21.02 C ATOM 762 NE ARG A 47 -10.719 18.324 -4.364 1.00 33.42 N ATOM 763 CZ ARG A 47 -10.758 19.608 -4.701 1.00 33.21 C ATOM 764 NH1 ARG A 47 -11.206 19.970 -5.895 1.00 75.10 N ATOM 765 NH2 ARG A 47 -10.349 20.533 -3.842 1.00 40.14 N ATOM 0 H ARG A 47 -12.256 14.754 -8.451 1.00 22.54 H new ATOM 0 HA ARG A 47 -13.501 15.171 -6.659 1.00 70.34 H new ATOM 0 HB2 ARG A 47 -12.371 17.734 -7.359 1.00 4.42 H new ATOM 0 HB3 ARG A 47 -14.001 17.985 -6.767 1.00 4.42 H new ATOM 0 HG2 ARG A 47 -13.116 17.911 -4.700 1.00 11.33 H new ATOM 0 HG3 ARG A 47 -12.986 16.178 -4.926 1.00 11.33 H new ATOM 0 HD2 ARG A 47 -10.740 16.298 -4.890 1.00 21.02 H new ATOM 0 HD3 ARG A 47 -10.746 17.408 -6.246 1.00 21.02 H new ATOM 0 HE ARG A 47 -10.369 18.079 -3.438 1.00 33.42 H new ATOM 0 HH11 ARG A 47 -11.522 19.262 -6.557 1.00 75.10 H new ATOM 0 HH12 ARG A 47 -11.235 20.957 -6.151 1.00 75.10 H new ATOM 0 HH21 ARG A 47 -10.004 20.258 -2.922 1.00 40.14 H new ATOM 0 HH22 ARG A 47 -10.379 21.519 -4.102 1.00 40.14 H new ATOM 779 N LYS A 48 -15.839 15.051 -7.463 1.00 33.43 N ATOM 780 CA LYS A 48 -17.254 15.014 -7.812 1.00 54.42 C ATOM 781 C LYS A 48 -18.090 14.499 -6.645 1.00 11.01 C ATOM 782 O LYS A 48 -19.280 14.221 -6.797 1.00 30.23 O ATOM 783 CB LYS A 48 -17.475 14.129 -9.041 1.00 42.30 C ATOM 784 CG LYS A 48 -17.327 14.870 -10.359 1.00 14.23 C ATOM 785 CD LYS A 48 -17.120 13.910 -11.518 1.00 41.31 C ATOM 786 CE LYS A 48 -16.620 14.634 -12.759 1.00 3.44 C ATOM 787 NZ LYS A 48 -15.140 14.797 -12.747 1.00 4.43 N ATOM 0 H LYS A 48 -15.517 14.246 -6.926 1.00 33.43 H new ATOM 0 HA LYS A 48 -17.572 16.031 -8.042 1.00 54.42 H new ATOM 0 HB2 LYS A 48 -16.764 13.303 -9.016 1.00 42.30 H new ATOM 0 HB3 LYS A 48 -18.472 13.692 -8.989 1.00 42.30 H new ATOM 0 HG2 LYS A 48 -18.216 15.474 -10.540 1.00 14.23 H new ATOM 0 HG3 LYS A 48 -16.482 15.556 -10.299 1.00 14.23 H new ATOM 0 HD2 LYS A 48 -16.403 13.140 -11.231 1.00 41.31 H new ATOM 0 HD3 LYS A 48 -18.058 13.403 -11.744 1.00 41.31 H new ATOM 0 HE2 LYS A 48 -16.917 14.078 -13.648 1.00 3.44 H new ATOM 0 HE3 LYS A 48 -17.093 15.614 -12.823 1.00 3.44 H new ATOM 0 HZ1 LYS A 48 -14.839 15.295 -13.609 1.00 4.43 H new ATOM 0 HZ2 LYS A 48 -14.858 15.349 -11.912 1.00 4.43 H new ATOM 0 HZ3 LYS A 48 -14.688 13.861 -12.712 1.00 4.43 H new ATOM 801 N ILE A 49 -17.460 14.376 -5.481 1.00 75.24 N ATOM 802 CA ILE A 49 -18.148 13.897 -4.289 1.00 24.45 C ATOM 803 C ILE A 49 -18.847 15.039 -3.561 1.00 12.54 C ATOM 804 O ILE A 49 -19.548 14.823 -2.573 1.00 73.13 O ATOM 805 CB ILE A 49 -17.173 13.205 -3.317 1.00 71.53 C ATOM 806 CG1 ILE A 49 -16.249 12.252 -4.080 1.00 13.34 C ATOM 807 CG2 ILE A 49 -17.942 12.455 -2.240 1.00 13.35 C ATOM 808 CD1 ILE A 49 -14.917 12.867 -4.445 1.00 44.13 C ATOM 0 H ILE A 49 -16.475 14.601 -5.339 1.00 75.24 H new ATOM 0 HA ILE A 49 -18.892 13.173 -4.623 1.00 24.45 H new ATOM 0 HB ILE A 49 -16.561 13.968 -2.835 1.00 71.53 H new ATOM 0 HG12 ILE A 49 -16.076 11.363 -3.473 1.00 13.34 H new ATOM 0 HG13 ILE A 49 -16.750 11.924 -4.990 1.00 13.34 H new ATOM 0 HG21 ILE A 49 -17.239 11.972 -1.561 1.00 13.35 H new ATOM 0 HG22 ILE A 49 -18.563 13.156 -1.681 1.00 13.35 H new ATOM 0 HG23 ILE A 49 -18.576 11.700 -2.705 1.00 13.35 H new ATOM 0 HD11 ILE A 49 -14.314 12.136 -4.983 1.00 44.13 H new ATOM 0 HD12 ILE A 49 -15.080 13.739 -5.078 1.00 44.13 H new ATOM 0 HD13 ILE A 49 -14.395 13.170 -3.537 1.00 44.13 H new ATOM 820 N ASN A 50 -18.652 16.257 -4.057 1.00 35.01 N ATOM 821 CA ASN A 50 -19.266 17.435 -3.454 1.00 61.04 C ATOM 822 C ASN A 50 -20.753 17.504 -3.787 1.00 34.45 C ATOM 823 O ASN A 50 -21.197 16.984 -4.812 1.00 3.04 O ATOM 824 CB ASN A 50 -18.565 18.705 -3.939 1.00 45.34 C ATOM 825 CG ASN A 50 -19.012 19.939 -3.180 1.00 33.05 C ATOM 826 OD1 ASN A 50 -19.097 19.928 -1.951 1.00 55.24 O ATOM 827 ND2 ASN A 50 -19.301 21.010 -3.909 1.00 12.52 N ATOM 0 H ASN A 50 -18.074 16.454 -4.874 1.00 35.01 H new ATOM 0 HA ASN A 50 -19.157 17.357 -2.372 1.00 61.04 H new ATOM 0 HB2 ASN A 50 -17.487 18.586 -3.830 1.00 45.34 H new ATOM 0 HB3 ASN A 50 -18.765 18.843 -5.002 1.00 45.34 H new ATOM 0 HD21 ASN A 50 -19.608 21.869 -3.453 1.00 12.52 H new ATOM 0 HD22 ASN A 50 -19.216 20.974 -4.925 1.00 12.52 H new ATOM 834 N LEU A 51 -21.520 18.148 -2.914 1.00 4.44 N ATOM 835 CA LEU A 51 -22.958 18.286 -3.114 1.00 10.43 C ATOM 836 C LEU A 51 -23.259 19.268 -4.242 1.00 12.04 C ATOM 837 O LEU A 51 -24.341 19.241 -4.830 1.00 4.44 O ATOM 838 CB LEU A 51 -23.630 18.755 -1.822 1.00 21.43 C ATOM 839 CG LEU A 51 -24.968 18.096 -1.484 1.00 60.02 C ATOM 840 CD1 LEU A 51 -25.983 18.353 -2.587 1.00 41.32 C ATOM 841 CD2 LEU A 51 -24.786 16.602 -1.263 1.00 21.55 C ATOM 0 H LEU A 51 -21.170 18.583 -2.060 1.00 4.44 H new ATOM 0 HA LEU A 51 -23.357 17.310 -3.390 1.00 10.43 H new ATOM 0 HB2 LEU A 51 -22.942 18.580 -0.994 1.00 21.43 H new ATOM 0 HB3 LEU A 51 -23.784 19.832 -1.887 1.00 21.43 H new ATOM 0 HG LEU A 51 -25.345 18.536 -0.561 1.00 60.02 H new ATOM 0 HD11 LEU A 51 -26.929 17.877 -2.329 1.00 41.32 H new ATOM 0 HD12 LEU A 51 -26.136 19.427 -2.698 1.00 41.32 H new ATOM 0 HD13 LEU A 51 -25.613 17.940 -3.525 1.00 41.32 H new ATOM 0 HD21 LEU A 51 -25.748 16.150 -1.024 1.00 21.55 H new ATOM 0 HD22 LEU A 51 -24.386 16.146 -2.169 1.00 21.55 H new ATOM 0 HD23 LEU A 51 -24.093 16.438 -0.438 1.00 21.55 H new ATOM 853 N PHE A 52 -22.295 20.132 -4.540 1.00 40.40 N ATOM 854 CA PHE A 52 -22.456 21.122 -5.599 1.00 13.23 C ATOM 855 C PHE A 52 -21.839 20.628 -6.904 1.00 11.02 C ATOM 856 O PHE A 52 -22.345 20.913 -7.990 1.00 3.54 O ATOM 857 CB PHE A 52 -21.814 22.449 -5.188 1.00 31.21 C ATOM 858 CG PHE A 52 -22.655 23.649 -5.517 1.00 43.13 C ATOM 859 CD1 PHE A 52 -23.887 23.836 -4.911 1.00 63.15 C ATOM 860 CD2 PHE A 52 -22.213 24.590 -6.433 1.00 51.42 C ATOM 861 CE1 PHE A 52 -24.663 24.940 -5.212 1.00 23.40 C ATOM 862 CE2 PHE A 52 -22.984 25.696 -6.737 1.00 54.13 C ATOM 863 CZ PHE A 52 -24.211 25.870 -6.127 1.00 12.40 C ATOM 0 H PHE A 52 -21.394 20.167 -4.063 1.00 40.40 H new ATOM 0 HA PHE A 52 -23.523 21.277 -5.758 1.00 13.23 H new ATOM 0 HB2 PHE A 52 -21.621 22.433 -4.115 1.00 31.21 H new ATOM 0 HB3 PHE A 52 -20.848 22.545 -5.684 1.00 31.21 H new ATOM 0 HD1 PHE A 52 -24.245 23.111 -4.195 1.00 63.15 H new ATOM 0 HD2 PHE A 52 -21.255 24.458 -6.915 1.00 51.42 H new ATOM 0 HE1 PHE A 52 -25.621 25.075 -4.732 1.00 23.40 H new ATOM 0 HE2 PHE A 52 -22.627 26.424 -7.451 1.00 54.13 H new ATOM 0 HZ PHE A 52 -24.816 26.732 -6.365 1.00 12.40 H new ATOM 873 N TYR A 53 -20.743 19.886 -6.789 1.00 53.12 N ATOM 874 CA TYR A 53 -20.054 19.354 -7.959 1.00 55.31 C ATOM 875 C TYR A 53 -20.848 18.212 -8.586 1.00 22.11 C ATOM 876 O TYR A 53 -21.061 18.180 -9.799 1.00 12.34 O ATOM 877 CB TYR A 53 -18.655 18.869 -7.576 1.00 74.43 C ATOM 878 CG TYR A 53 -17.676 18.876 -8.728 1.00 4.42 C ATOM 879 CD1 TYR A 53 -17.840 18.021 -9.811 1.00 3.32 C ATOM 880 CD2 TYR A 53 -16.585 19.738 -8.733 1.00 35.44 C ATOM 881 CE1 TYR A 53 -16.947 18.024 -10.865 1.00 3.21 C ATOM 882 CE2 TYR A 53 -15.688 19.748 -9.783 1.00 54.50 C ATOM 883 CZ TYR A 53 -15.873 18.890 -10.847 1.00 31.14 C ATOM 884 OH TYR A 53 -14.981 18.897 -11.894 1.00 62.32 O ATOM 0 H TYR A 53 -20.313 19.639 -5.898 1.00 53.12 H new ATOM 0 HA TYR A 53 -19.965 20.155 -8.693 1.00 55.31 H new ATOM 0 HB2 TYR A 53 -18.267 19.500 -6.776 1.00 74.43 H new ATOM 0 HB3 TYR A 53 -18.727 17.857 -7.177 1.00 74.43 H new ATOM 0 HD1 TYR A 53 -18.680 17.342 -9.829 1.00 3.32 H new ATOM 0 HD2 TYR A 53 -16.437 20.411 -7.902 1.00 35.44 H new ATOM 0 HE1 TYR A 53 -17.089 17.352 -11.699 1.00 3.21 H new ATOM 0 HE2 TYR A 53 -14.846 20.424 -9.771 1.00 54.50 H new ATOM 0 HH TYR A 53 -14.284 19.565 -11.726 1.00 62.32 H new ATOM 894 N LEU A 54 -21.283 17.275 -7.751 1.00 31.02 N ATOM 895 CA LEU A 54 -22.054 16.129 -8.221 1.00 13.41 C ATOM 896 C LEU A 54 -23.365 16.580 -8.859 1.00 23.24 C ATOM 897 O LEU A 54 -23.870 15.940 -9.781 1.00 34.43 O ATOM 898 CB LEU A 54 -22.340 15.172 -7.063 1.00 12.04 C ATOM 899 CG LEU A 54 -22.882 13.795 -7.448 1.00 63.00 C ATOM 900 CD1 LEU A 54 -21.922 13.089 -8.393 1.00 41.32 C ATOM 901 CD2 LEU A 54 -23.126 12.951 -6.205 1.00 54.25 C ATOM 0 H LEU A 54 -21.115 17.286 -6.745 1.00 31.02 H new ATOM 0 HA LEU A 54 -21.463 15.610 -8.976 1.00 13.41 H new ATOM 0 HB2 LEU A 54 -21.419 15.032 -6.497 1.00 12.04 H new ATOM 0 HB3 LEU A 54 -23.056 15.648 -6.393 1.00 12.04 H new ATOM 0 HG LEU A 54 -23.833 13.931 -7.963 1.00 63.00 H new ATOM 0 HD11 LEU A 54 -22.324 12.111 -8.656 1.00 41.32 H new ATOM 0 HD12 LEU A 54 -21.797 13.685 -9.297 1.00 41.32 H new ATOM 0 HD13 LEU A 54 -20.956 12.965 -7.904 1.00 41.32 H new ATOM 0 HD21 LEU A 54 -23.512 11.975 -6.498 1.00 54.25 H new ATOM 0 HD22 LEU A 54 -22.189 12.823 -5.662 1.00 54.25 H new ATOM 0 HD23 LEU A 54 -23.852 13.450 -5.563 1.00 54.25 H new ATOM 913 N TYR A 55 -23.908 17.686 -8.363 1.00 32.21 N ATOM 914 CA TYR A 55 -25.160 18.222 -8.884 1.00 1.20 C ATOM 915 C TYR A 55 -24.935 18.939 -10.212 1.00 24.31 C ATOM 916 O TYR A 55 -25.668 18.725 -11.177 1.00 45.11 O ATOM 917 CB TYR A 55 -25.787 19.183 -7.873 1.00 52.50 C ATOM 918 CG TYR A 55 -26.956 18.591 -7.118 1.00 64.32 C ATOM 919 CD1 TYR A 55 -26.861 17.338 -6.525 1.00 62.53 C ATOM 920 CD2 TYR A 55 -28.154 19.283 -6.999 1.00 33.22 C ATOM 921 CE1 TYR A 55 -27.926 16.791 -5.835 1.00 42.52 C ATOM 922 CE2 TYR A 55 -29.224 18.745 -6.309 1.00 41.24 C ATOM 923 CZ TYR A 55 -29.105 17.499 -5.730 1.00 1.34 C ATOM 924 OH TYR A 55 -30.169 16.960 -5.043 1.00 64.33 O ATOM 0 H TYR A 55 -23.501 18.229 -7.601 1.00 32.21 H new ATOM 0 HA TYR A 55 -25.841 17.388 -9.053 1.00 1.20 H new ATOM 0 HB2 TYR A 55 -25.024 19.494 -7.159 1.00 52.50 H new ATOM 0 HB3 TYR A 55 -26.120 20.080 -8.395 1.00 52.50 H new ATOM 0 HD1 TYR A 55 -25.939 16.782 -6.605 1.00 62.53 H new ATOM 0 HD2 TYR A 55 -28.251 20.258 -7.453 1.00 33.22 H new ATOM 0 HE1 TYR A 55 -27.836 15.815 -5.381 1.00 42.52 H new ATOM 0 HE2 TYR A 55 -30.148 19.297 -6.224 1.00 41.24 H new ATOM 0 HH TYR A 55 -30.922 17.587 -5.062 1.00 64.33 H new ATOM 934 N MET A 56 -23.914 19.790 -10.252 1.00 35.40 N ATOM 935 CA MET A 56 -23.590 20.537 -11.462 1.00 33.05 C ATOM 936 C MET A 56 -23.288 19.592 -12.620 1.00 71.20 C ATOM 937 O MET A 56 -23.701 19.833 -13.755 1.00 72.22 O ATOM 938 CB MET A 56 -22.393 21.457 -11.213 1.00 35.11 C ATOM 939 CG MET A 56 -21.969 22.247 -12.440 1.00 53.41 C ATOM 940 SD MET A 56 -20.534 23.293 -12.130 1.00 44.25 S ATOM 941 CE MET A 56 -20.673 24.467 -13.476 1.00 53.02 C ATOM 0 H MET A 56 -23.298 19.979 -9.461 1.00 35.40 H new ATOM 0 HA MET A 56 -24.456 21.143 -11.728 1.00 33.05 H new ATOM 0 HB2 MET A 56 -22.640 22.152 -10.411 1.00 35.11 H new ATOM 0 HB3 MET A 56 -21.550 20.858 -10.867 1.00 35.11 H new ATOM 0 HG2 MET A 56 -21.742 21.556 -13.252 1.00 53.41 H new ATOM 0 HG3 MET A 56 -22.801 22.867 -12.773 1.00 53.41 H new ATOM 0 HE1 MET A 56 -19.853 25.183 -13.421 1.00 53.02 H new ATOM 0 HE2 MET A 56 -20.628 23.937 -14.427 1.00 53.02 H new ATOM 0 HE3 MET A 56 -21.623 24.997 -13.400 1.00 53.02 H new ATOM 951 N LEU A 57 -22.565 18.516 -12.327 1.00 52.51 N ATOM 952 CA LEU A 57 -22.207 17.535 -13.345 1.00 33.40 C ATOM 953 C LEU A 57 -23.455 16.907 -13.959 1.00 2.04 C ATOM 954 O LEU A 57 -23.584 16.825 -15.180 1.00 73.41 O ATOM 955 CB LEU A 57 -21.319 16.446 -12.741 1.00 60.41 C ATOM 956 CG LEU A 57 -21.166 15.169 -13.569 1.00 20.25 C ATOM 957 CD1 LEU A 57 -19.696 14.833 -13.766 1.00 2.43 C ATOM 958 CD2 LEU A 57 -21.894 14.011 -12.902 1.00 33.20 C ATOM 0 H LEU A 57 -22.216 18.301 -11.393 1.00 52.51 H new ATOM 0 HA LEU A 57 -21.656 18.049 -14.133 1.00 33.40 H new ATOM 0 HB2 LEU A 57 -20.328 16.866 -12.571 1.00 60.41 H new ATOM 0 HB3 LEU A 57 -21.722 16.176 -11.765 1.00 60.41 H new ATOM 0 HG LEU A 57 -21.613 15.338 -14.548 1.00 20.25 H new ATOM 0 HD11 LEU A 57 -19.607 13.922 -14.357 1.00 2.43 H new ATOM 0 HD12 LEU A 57 -19.202 15.653 -14.287 1.00 2.43 H new ATOM 0 HD13 LEU A 57 -19.224 14.683 -12.795 1.00 2.43 H new ATOM 0 HD21 LEU A 57 -21.775 13.111 -13.505 1.00 33.20 H new ATOM 0 HD22 LEU A 57 -21.476 13.842 -11.910 1.00 33.20 H new ATOM 0 HD23 LEU A 57 -22.954 14.250 -12.813 1.00 33.20 H new ATOM 970 N VAL A 58 -24.372 16.467 -13.103 1.00 10.42 N ATOM 971 CA VAL A 58 -25.611 15.850 -13.560 1.00 52.35 C ATOM 972 C VAL A 58 -26.414 16.810 -14.431 1.00 13.20 C ATOM 973 O VAL A 58 -26.851 16.453 -15.525 1.00 11.33 O ATOM 974 CB VAL A 58 -26.484 15.397 -12.375 1.00 2.31 C ATOM 975 CG1 VAL A 58 -27.758 14.733 -12.873 1.00 32.31 C ATOM 976 CG2 VAL A 58 -25.703 14.459 -11.467 1.00 50.11 C ATOM 0 H VAL A 58 -24.280 16.527 -12.089 1.00 10.42 H new ATOM 0 HA VAL A 58 -25.331 14.977 -14.149 1.00 52.35 H new ATOM 0 HB VAL A 58 -26.765 16.276 -11.796 1.00 2.31 H new ATOM 0 HG11 VAL A 58 -28.362 14.420 -12.021 1.00 32.31 H new ATOM 0 HG12 VAL A 58 -28.324 15.441 -13.479 1.00 32.31 H new ATOM 0 HG13 VAL A 58 -27.502 13.862 -13.477 1.00 32.31 H new ATOM 0 HG21 VAL A 58 -26.335 14.148 -10.635 1.00 50.11 H new ATOM 0 HG22 VAL A 58 -25.391 13.581 -12.033 1.00 50.11 H new ATOM 0 HG23 VAL A 58 -24.823 14.974 -11.082 1.00 50.11 H new ATOM 986 N GLN A 59 -26.604 18.030 -13.938 1.00 33.33 N ATOM 987 CA GLN A 59 -27.356 19.041 -14.671 1.00 44.43 C ATOM 988 C GLN A 59 -26.697 19.341 -16.014 1.00 13.20 C ATOM 989 O GLN A 59 -27.377 19.609 -17.005 1.00 11.21 O ATOM 990 CB GLN A 59 -27.465 20.324 -13.846 1.00 4.54 C ATOM 991 CG GLN A 59 -28.719 21.131 -14.138 1.00 14.31 C ATOM 992 CD GLN A 59 -28.454 22.313 -15.050 1.00 73.30 C ATOM 993 OE1 GLN A 59 -27.743 22.194 -16.048 1.00 73.24 O ATOM 994 NE2 GLN A 59 -29.026 23.462 -14.711 1.00 51.45 N ATOM 0 H GLN A 59 -26.248 18.342 -13.035 1.00 33.33 H new ATOM 0 HA GLN A 59 -28.357 18.651 -14.856 1.00 44.43 H new ATOM 0 HB2 GLN A 59 -27.447 20.067 -12.787 1.00 4.54 H new ATOM 0 HB3 GLN A 59 -26.590 20.945 -14.039 1.00 4.54 H new ATOM 0 HG2 GLN A 59 -29.465 20.482 -14.598 1.00 14.31 H new ATOM 0 HG3 GLN A 59 -29.143 21.489 -13.200 1.00 14.31 H new ATOM 0 HE21 GLN A 59 -29.608 23.515 -13.875 1.00 51.45 H new ATOM 0 HE22 GLN A 59 -28.884 24.292 -15.287 1.00 51.45 H new ATOM 1003 N LYS A 60 -25.370 19.295 -16.040 1.00 23.51 N ATOM 1004 CA LYS A 60 -24.618 19.560 -17.261 1.00 1.03 C ATOM 1005 C LYS A 60 -24.812 18.437 -18.275 1.00 15.15 C ATOM 1006 O LYS A 60 -24.874 18.679 -19.480 1.00 51.51 O ATOM 1007 CB LYS A 60 -23.130 19.722 -16.943 1.00 2.23 C ATOM 1008 CG LYS A 60 -22.258 19.879 -18.176 1.00 42.34 C ATOM 1009 CD LYS A 60 -22.531 21.193 -18.889 1.00 0.43 C ATOM 1010 CE LYS A 60 -21.505 22.253 -18.517 1.00 21.32 C ATOM 1011 NZ LYS A 60 -20.888 22.874 -19.721 1.00 42.22 N ATOM 0 H LYS A 60 -24.792 19.076 -15.228 1.00 23.51 H new ATOM 0 HA LYS A 60 -24.994 20.486 -17.695 1.00 1.03 H new ATOM 0 HB2 LYS A 60 -22.997 20.593 -16.301 1.00 2.23 H new ATOM 0 HB3 LYS A 60 -22.791 18.854 -16.377 1.00 2.23 H new ATOM 0 HG2 LYS A 60 -21.208 19.832 -17.888 1.00 42.34 H new ATOM 0 HG3 LYS A 60 -22.439 19.049 -18.859 1.00 42.34 H new ATOM 0 HD2 LYS A 60 -22.516 21.033 -19.967 1.00 0.43 H new ATOM 0 HD3 LYS A 60 -23.530 21.546 -18.633 1.00 0.43 H new ATOM 0 HE2 LYS A 60 -21.983 23.025 -17.915 1.00 21.32 H new ATOM 0 HE3 LYS A 60 -20.726 21.804 -17.900 1.00 21.32 H new ATOM 0 HZ1 LYS A 60 -20.195 23.591 -19.425 1.00 42.22 H new ATOM 0 HZ2 LYS A 60 -20.410 22.141 -20.283 1.00 42.22 H new ATOM 0 HZ3 LYS A 60 -21.628 23.325 -20.297 1.00 42.22 H new ATOM 1025 N PHE A 61 -24.910 17.208 -17.778 1.00 50.31 N ATOM 1026 CA PHE A 61 -25.098 16.048 -18.641 1.00 74.10 C ATOM 1027 C PHE A 61 -26.537 15.971 -19.143 1.00 14.12 C ATOM 1028 O PHE A 61 -26.862 15.160 -20.009 1.00 21.11 O ATOM 1029 CB PHE A 61 -24.739 14.764 -17.891 1.00 22.15 C ATOM 1030 CG PHE A 61 -23.421 14.176 -18.306 1.00 25.02 C ATOM 1031 CD1 PHE A 61 -22.230 14.721 -17.852 1.00 32.23 C ATOM 1032 CD2 PHE A 61 -23.372 13.078 -19.150 1.00 4.32 C ATOM 1033 CE1 PHE A 61 -21.016 14.182 -18.233 1.00 41.21 C ATOM 1034 CE2 PHE A 61 -22.160 12.535 -19.534 1.00 71.03 C ATOM 1035 CZ PHE A 61 -20.981 13.087 -19.074 1.00 42.23 C ATOM 0 H PHE A 61 -24.862 16.990 -16.783 1.00 50.31 H new ATOM 0 HA PHE A 61 -24.437 16.156 -19.501 1.00 74.10 H new ATOM 0 HB2 PHE A 61 -24.714 14.972 -16.821 1.00 22.15 H new ATOM 0 HB3 PHE A 61 -25.524 14.026 -18.054 1.00 22.15 H new ATOM 0 HD1 PHE A 61 -22.251 15.576 -17.193 1.00 32.23 H new ATOM 0 HD2 PHE A 61 -24.291 12.641 -19.512 1.00 4.32 H new ATOM 0 HE1 PHE A 61 -20.095 14.617 -17.873 1.00 41.21 H new ATOM 0 HE2 PHE A 61 -22.135 11.680 -20.193 1.00 71.03 H new ATOM 0 HZ PHE A 61 -20.033 12.663 -19.371 1.00 42.23 H new ATOM 1045 N GLY A 62 -27.397 16.822 -18.591 1.00 2.34 N ATOM 1046 CA GLY A 62 -28.791 16.835 -18.993 1.00 60.42 C ATOM 1047 C GLY A 62 -29.680 16.074 -18.029 1.00 44.10 C ATOM 1048 O GLY A 62 -30.781 15.657 -18.386 1.00 4.12 O ATOM 0 H GLY A 62 -27.152 17.503 -17.872 1.00 2.34 H new ATOM 0 HA2 GLY A 62 -29.136 17.867 -19.063 1.00 60.42 H new ATOM 0 HA3 GLY A 62 -28.883 16.400 -19.988 1.00 60.42 H new ATOM 1052 N GLY A 63 -29.200 15.891 -16.803 1.00 4.35 N ATOM 1053 CA GLY A 63 -29.970 15.174 -15.804 1.00 13.24 C ATOM 1054 C GLY A 63 -29.633 13.697 -15.761 1.00 41.04 C ATOM 1055 O GLY A 63 -29.167 13.132 -16.750 1.00 25.41 O ATOM 0 H GLY A 63 -28.291 16.227 -16.484 1.00 4.35 H new ATOM 0 HA2 GLY A 63 -29.786 15.614 -14.824 1.00 13.24 H new ATOM 0 HA3 GLY A 63 -31.033 15.295 -16.014 1.00 13.24 H new ATOM 1059 N ALA A 64 -29.867 13.071 -14.613 1.00 34.40 N ATOM 1060 CA ALA A 64 -29.585 11.650 -14.446 1.00 55.30 C ATOM 1061 C ALA A 64 -30.216 10.830 -15.566 1.00 52.12 C ATOM 1062 O ALA A 64 -29.680 9.799 -15.971 1.00 65.31 O ATOM 1063 CB ALA A 64 -30.084 11.169 -13.092 1.00 32.14 C ATOM 0 H ALA A 64 -30.251 13.525 -13.784 1.00 34.40 H new ATOM 0 HA ALA A 64 -28.505 11.511 -14.493 1.00 55.30 H new ATOM 0 HB1 ALA A 64 -29.867 10.107 -12.981 1.00 32.14 H new ATOM 0 HB2 ALA A 64 -29.583 11.727 -12.301 1.00 32.14 H new ATOM 0 HB3 ALA A 64 -31.160 11.329 -13.023 1.00 32.14 H new ATOM 1069 N ASP A 65 -31.358 11.294 -16.062 1.00 42.21 N ATOM 1070 CA ASP A 65 -32.062 10.603 -17.136 1.00 43.43 C ATOM 1071 C ASP A 65 -31.231 10.599 -18.416 1.00 11.51 C ATOM 1072 O ASP A 65 -31.230 9.621 -19.162 1.00 44.14 O ATOM 1073 CB ASP A 65 -33.416 11.265 -17.395 1.00 75.50 C ATOM 1074 CG ASP A 65 -34.170 11.561 -16.113 1.00 41.44 C ATOM 1075 OD1 ASP A 65 -34.477 10.605 -15.371 1.00 52.53 O ATOM 1076 OD2 ASP A 65 -34.453 12.750 -15.853 1.00 31.32 O ATOM 0 H ASP A 65 -31.816 12.146 -15.737 1.00 42.21 H new ATOM 0 HA ASP A 65 -32.224 9.571 -16.826 1.00 43.43 H new ATOM 0 HB2 ASP A 65 -33.264 12.193 -17.946 1.00 75.50 H new ATOM 0 HB3 ASP A 65 -34.021 10.614 -18.027 1.00 75.50 H new ATOM 1081 N GLN A 66 -30.528 11.700 -18.662 1.00 64.10 N ATOM 1082 CA GLN A 66 -29.695 11.823 -19.852 1.00 44.24 C ATOM 1083 C GLN A 66 -28.499 10.880 -19.780 1.00 23.40 C ATOM 1084 O GLN A 66 -28.103 10.284 -20.782 1.00 43.43 O ATOM 1085 CB GLN A 66 -29.212 13.266 -20.016 1.00 32.50 C ATOM 1086 CG GLN A 66 -28.856 13.629 -21.448 1.00 42.13 C ATOM 1087 CD GLN A 66 -29.489 14.932 -21.894 1.00 51.34 C ATOM 1088 OE1 GLN A 66 -30.678 15.166 -21.673 1.00 4.10 O ATOM 1089 NE2 GLN A 66 -28.697 15.790 -22.527 1.00 23.21 N ATOM 0 H GLN A 66 -30.519 12.519 -18.054 1.00 64.10 H new ATOM 0 HA GLN A 66 -30.299 11.549 -20.717 1.00 44.24 H new ATOM 0 HB2 GLN A 66 -29.989 13.943 -19.661 1.00 32.50 H new ATOM 0 HB3 GLN A 66 -28.339 13.422 -19.383 1.00 32.50 H new ATOM 0 HG2 GLN A 66 -27.773 13.705 -21.541 1.00 42.13 H new ATOM 0 HG3 GLN A 66 -29.177 12.827 -22.113 1.00 42.13 H new ATOM 0 HE21 GLN A 66 -27.718 15.556 -22.689 1.00 23.21 H new ATOM 0 HE22 GLN A 66 -29.068 16.683 -22.851 1.00 23.21 H new ATOM 1098 N VAL A 67 -27.926 10.748 -18.587 1.00 74.34 N ATOM 1099 CA VAL A 67 -26.776 9.876 -18.384 1.00 23.22 C ATOM 1100 C VAL A 67 -27.158 8.411 -18.562 1.00 30.25 C ATOM 1101 O VAL A 67 -26.398 7.623 -19.125 1.00 61.42 O ATOM 1102 CB VAL A 67 -26.166 10.070 -16.983 1.00 22.52 C ATOM 1103 CG1 VAL A 67 -24.851 9.313 -16.863 1.00 54.32 C ATOM 1104 CG2 VAL A 67 -25.968 11.549 -16.688 1.00 70.21 C ATOM 0 H VAL A 67 -28.240 11.234 -17.747 1.00 74.34 H new ATOM 0 HA VAL A 67 -26.035 10.148 -19.136 1.00 23.22 H new ATOM 0 HB VAL A 67 -26.859 9.666 -16.245 1.00 22.52 H new ATOM 0 HG11 VAL A 67 -24.435 9.462 -15.867 1.00 54.32 H new ATOM 0 HG12 VAL A 67 -25.027 8.250 -17.028 1.00 54.32 H new ATOM 0 HG13 VAL A 67 -24.148 9.684 -17.609 1.00 54.32 H new ATOM 0 HG21 VAL A 67 -25.536 11.667 -15.694 1.00 70.21 H new ATOM 0 HG22 VAL A 67 -25.296 11.981 -17.429 1.00 70.21 H new ATOM 0 HG23 VAL A 67 -26.930 12.060 -16.729 1.00 70.21 H new ATOM 1114 N THR A 68 -28.343 8.051 -18.077 1.00 63.11 N ATOM 1115 CA THR A 68 -28.827 6.680 -18.182 1.00 3.25 C ATOM 1116 C THR A 68 -29.423 6.411 -19.558 1.00 50.04 C ATOM 1117 O THR A 68 -29.456 5.270 -20.019 1.00 23.33 O ATOM 1118 CB THR A 68 -29.887 6.376 -17.107 1.00 34.42 C ATOM 1119 OG1 THR A 68 -30.290 5.004 -17.191 1.00 53.11 O ATOM 1120 CG2 THR A 68 -31.101 7.277 -17.274 1.00 12.24 C ATOM 0 H THR A 68 -28.985 8.690 -17.608 1.00 63.11 H new ATOM 0 HA THR A 68 -27.967 6.028 -18.029 1.00 3.25 H new ATOM 0 HB THR A 68 -29.445 6.566 -16.129 1.00 34.42 H new ATOM 0 HG1 THR A 68 -30.963 4.818 -16.503 1.00 53.11 H new ATOM 0 HG21 THR A 68 -31.836 7.044 -16.504 1.00 12.24 H new ATOM 0 HG22 THR A 68 -30.796 8.319 -17.181 1.00 12.24 H new ATOM 0 HG23 THR A 68 -31.542 7.114 -18.257 1.00 12.24 H new ATOM 1128 N ARG A 69 -29.893 7.469 -20.212 1.00 31.34 N ATOM 1129 CA ARG A 69 -30.489 7.346 -21.537 1.00 21.45 C ATOM 1130 C ARG A 69 -29.520 6.678 -22.508 1.00 74.32 C ATOM 1131 O ARG A 69 -29.907 5.807 -23.288 1.00 74.40 O ATOM 1132 CB ARG A 69 -30.892 8.722 -22.067 1.00 54.45 C ATOM 1133 CG ARG A 69 -31.518 8.682 -23.452 1.00 64.23 C ATOM 1134 CD ARG A 69 -31.549 10.062 -24.090 1.00 21.00 C ATOM 1135 NE ARG A 69 -32.431 10.108 -25.253 1.00 60.41 N ATOM 1136 CZ ARG A 69 -32.897 11.235 -25.778 1.00 42.33 C ATOM 1137 NH1 ARG A 69 -32.566 12.404 -25.247 1.00 40.22 N ATOM 1138 NH2 ARG A 69 -33.695 11.195 -26.838 1.00 10.15 N ATOM 0 H ARG A 69 -29.872 8.421 -19.846 1.00 31.34 H new ATOM 0 HA ARG A 69 -31.379 6.722 -21.452 1.00 21.45 H new ATOM 0 HB2 ARG A 69 -31.597 9.177 -21.372 1.00 54.45 H new ATOM 0 HB3 ARG A 69 -30.011 9.364 -22.094 1.00 54.45 H new ATOM 0 HG2 ARG A 69 -30.954 7.999 -24.087 1.00 64.23 H new ATOM 0 HG3 ARG A 69 -32.532 8.289 -23.383 1.00 64.23 H new ATOM 0 HD2 ARG A 69 -31.881 10.794 -23.354 1.00 21.00 H new ATOM 0 HD3 ARG A 69 -30.540 10.346 -24.389 1.00 21.00 H new ATOM 0 HE ARG A 69 -32.704 9.226 -25.686 1.00 60.41 H new ATOM 0 HH11 ARG A 69 -31.952 12.439 -24.433 1.00 40.22 H new ATOM 0 HH12 ARG A 69 -32.925 13.268 -25.652 1.00 40.22 H new ATOM 0 HH21 ARG A 69 -33.951 10.298 -27.250 1.00 10.15 H new ATOM 0 HH22 ARG A 69 -34.052 12.062 -27.240 1.00 10.15 H new ATOM 1152 N THR A 70 -28.258 7.092 -22.457 1.00 12.24 N ATOM 1153 CA THR A 70 -27.235 6.536 -23.332 1.00 43.14 C ATOM 1154 C THR A 70 -26.364 5.529 -22.590 1.00 62.22 C ATOM 1155 O THR A 70 -25.370 5.040 -23.127 1.00 75.23 O ATOM 1156 CB THR A 70 -26.336 7.641 -23.918 1.00 42.24 C ATOM 1157 OG1 THR A 70 -26.466 8.840 -23.146 1.00 33.20 O ATOM 1158 CG2 THR A 70 -26.701 7.924 -25.368 1.00 22.31 C ATOM 0 H THR A 70 -27.920 7.811 -21.818 1.00 12.24 H new ATOM 0 HA THR A 70 -27.756 6.031 -24.146 1.00 43.14 H new ATOM 0 HB THR A 70 -25.303 7.295 -23.880 1.00 42.24 H new ATOM 0 HG1 THR A 70 -25.576 9.192 -22.936 1.00 33.20 H new ATOM 0 HG21 THR A 70 -26.053 8.708 -25.760 1.00 22.31 H new ATOM 0 HG22 THR A 70 -26.573 7.017 -25.959 1.00 22.31 H new ATOM 0 HG23 THR A 70 -27.740 8.250 -25.425 1.00 22.31 H new ATOM 1166 N GLN A 71 -26.744 5.223 -21.354 1.00 4.13 N ATOM 1167 CA GLN A 71 -25.996 4.273 -20.538 1.00 41.24 C ATOM 1168 C GLN A 71 -24.540 4.706 -20.396 1.00 34.14 C ATOM 1169 O GLN A 71 -23.624 3.914 -20.614 1.00 31.12 O ATOM 1170 CB GLN A 71 -26.066 2.874 -21.153 1.00 55.55 C ATOM 1171 CG GLN A 71 -25.688 1.765 -20.186 1.00 71.41 C ATOM 1172 CD GLN A 71 -26.085 0.391 -20.690 1.00 22.12 C ATOM 1173 OE1 GLN A 71 -26.004 0.108 -21.886 1.00 13.44 O ATOM 1174 NE2 GLN A 71 -26.516 -0.472 -19.778 1.00 33.51 N ATOM 0 H GLN A 71 -27.565 5.619 -20.896 1.00 4.13 H new ATOM 0 HA GLN A 71 -26.448 4.249 -19.546 1.00 41.24 H new ATOM 0 HB2 GLN A 71 -27.078 2.697 -21.518 1.00 55.55 H new ATOM 0 HB3 GLN A 71 -25.403 2.833 -22.017 1.00 55.55 H new ATOM 0 HG2 GLN A 71 -24.612 1.788 -20.015 1.00 71.41 H new ATOM 0 HG3 GLN A 71 -26.167 1.948 -19.224 1.00 71.41 H new ATOM 0 HE21 GLN A 71 -26.567 -0.195 -18.798 1.00 33.51 H new ATOM 0 HE22 GLN A 71 -26.796 -1.412 -20.058 1.00 33.51 H new ATOM 1183 N GLN A 72 -24.336 5.967 -20.028 1.00 73.14 N ATOM 1184 CA GLN A 72 -22.992 6.504 -19.858 1.00 4.22 C ATOM 1185 C GLN A 72 -22.666 6.699 -18.381 1.00 34.45 C ATOM 1186 O GLN A 72 -21.585 7.172 -18.030 1.00 74.13 O ATOM 1187 CB GLN A 72 -22.853 7.833 -20.602 1.00 44.41 C ATOM 1188 CG GLN A 72 -21.898 7.772 -21.783 1.00 44.32 C ATOM 1189 CD GLN A 72 -22.112 8.906 -22.766 1.00 52.14 C ATOM 1190 OE1 GLN A 72 -23.222 9.421 -22.905 1.00 1.41 O ATOM 1191 NE2 GLN A 72 -21.048 9.301 -23.456 1.00 14.41 N ATOM 0 H GLN A 72 -25.084 6.635 -19.842 1.00 73.14 H new ATOM 0 HA GLN A 72 -22.286 5.786 -20.276 1.00 4.22 H new ATOM 0 HB2 GLN A 72 -23.835 8.146 -20.956 1.00 44.41 H new ATOM 0 HB3 GLN A 72 -22.507 8.596 -19.905 1.00 44.41 H new ATOM 0 HG2 GLN A 72 -20.872 7.802 -21.417 1.00 44.32 H new ATOM 0 HG3 GLN A 72 -22.025 6.820 -22.299 1.00 44.32 H new ATOM 0 HE21 GLN A 72 -20.147 8.846 -23.309 1.00 14.41 H new ATOM 0 HE22 GLN A 72 -21.132 10.059 -24.133 1.00 14.41 H new ATOM 1200 N TRP A 73 -23.608 6.331 -17.520 1.00 13.15 N ATOM 1201 CA TRP A 73 -23.422 6.466 -16.079 1.00 65.32 C ATOM 1202 C TRP A 73 -22.193 5.691 -15.615 1.00 33.12 C ATOM 1203 O TRP A 73 -21.474 6.130 -14.717 1.00 71.53 O ATOM 1204 CB TRP A 73 -24.663 5.972 -15.335 1.00 30.41 C ATOM 1205 CG TRP A 73 -24.453 5.830 -13.858 1.00 22.13 C ATOM 1206 CD1 TRP A 73 -24.084 4.699 -13.187 1.00 72.31 C ATOM 1207 CD2 TRP A 73 -24.601 6.855 -12.869 1.00 22.31 C ATOM 1208 NE1 TRP A 73 -23.994 4.959 -11.841 1.00 31.42 N ATOM 1209 CE2 TRP A 73 -24.305 6.274 -11.620 1.00 13.12 C ATOM 1210 CE3 TRP A 73 -24.952 8.206 -12.917 1.00 0.40 C ATOM 1211 CZ2 TRP A 73 -24.352 7.000 -10.432 1.00 73.44 C ATOM 1212 CZ3 TRP A 73 -24.998 8.925 -11.738 1.00 35.15 C ATOM 1213 CH2 TRP A 73 -24.699 8.321 -10.509 1.00 13.10 C ATOM 0 H TRP A 73 -24.508 5.937 -17.794 1.00 13.15 H new ATOM 0 HA TRP A 73 -23.270 7.522 -15.854 1.00 65.32 H new ATOM 0 HB2 TRP A 73 -25.485 6.666 -15.513 1.00 30.41 H new ATOM 0 HB3 TRP A 73 -24.965 5.009 -15.746 1.00 30.41 H new ATOM 0 HD1 TRP A 73 -23.891 3.741 -13.647 1.00 72.31 H new ATOM 0 HE1 TRP A 73 -23.737 4.282 -11.123 1.00 31.42 H new ATOM 0 HE3 TRP A 73 -25.183 8.680 -13.859 1.00 0.40 H new ATOM 0 HZ2 TRP A 73 -24.123 6.536 -9.484 1.00 73.44 H new ATOM 0 HZ3 TRP A 73 -25.269 9.970 -11.764 1.00 35.15 H new ATOM 0 HH2 TRP A 73 -24.743 8.910 -9.605 1.00 13.10 H new ATOM 1224 N SER A 74 -21.958 4.537 -16.232 1.00 15.14 N ATOM 1225 CA SER A 74 -20.818 3.700 -15.878 1.00 73.41 C ATOM 1226 C SER A 74 -19.505 4.396 -16.221 1.00 52.54 C ATOM 1227 O SER A 74 -18.515 4.266 -15.503 1.00 3.31 O ATOM 1228 CB SER A 74 -20.901 2.356 -16.605 1.00 22.11 C ATOM 1229 OG SER A 74 -19.950 1.439 -16.092 1.00 4.31 O ATOM 0 H SER A 74 -22.542 4.161 -16.979 1.00 15.14 H new ATOM 0 HA SER A 74 -20.846 3.526 -14.802 1.00 73.41 H new ATOM 0 HB2 SER A 74 -21.904 1.943 -16.498 1.00 22.11 H new ATOM 0 HB3 SER A 74 -20.729 2.504 -17.671 1.00 22.11 H new ATOM 0 HG SER A 74 -20.024 0.588 -16.572 1.00 4.31 H new ATOM 1235 N MET A 75 -19.506 5.137 -17.325 1.00 74.43 N ATOM 1236 CA MET A 75 -18.316 5.856 -17.764 1.00 60.51 C ATOM 1237 C MET A 75 -18.011 7.023 -16.831 1.00 21.22 C ATOM 1238 O MET A 75 -16.873 7.203 -16.398 1.00 3.05 O ATOM 1239 CB MET A 75 -18.501 6.366 -19.195 1.00 23.15 C ATOM 1240 CG MET A 75 -17.875 5.465 -20.247 1.00 20.22 C ATOM 1241 SD MET A 75 -16.153 5.880 -20.581 1.00 45.04 S ATOM 1242 CE MET A 75 -15.313 4.802 -19.423 1.00 13.20 C ATOM 0 H MET A 75 -20.318 5.255 -17.931 1.00 74.43 H new ATOM 0 HA MET A 75 -17.474 5.164 -17.739 1.00 60.51 H new ATOM 0 HB2 MET A 75 -19.567 6.466 -19.401 1.00 23.15 H new ATOM 0 HB3 MET A 75 -18.066 7.362 -19.276 1.00 23.15 H new ATOM 0 HG2 MET A 75 -17.937 4.428 -19.916 1.00 20.22 H new ATOM 0 HG3 MET A 75 -18.448 5.539 -21.171 1.00 20.22 H new ATOM 0 HE1 MET A 75 -14.310 4.584 -19.791 1.00 13.20 H new ATOM 0 HE2 MET A 75 -15.245 5.293 -18.452 1.00 13.20 H new ATOM 0 HE3 MET A 75 -15.872 3.872 -19.320 1.00 13.20 H new ATOM 1252 N VAL A 76 -19.035 7.814 -16.525 1.00 23.40 N ATOM 1253 CA VAL A 76 -18.876 8.963 -15.642 1.00 42.13 C ATOM 1254 C VAL A 76 -18.633 8.522 -14.203 1.00 74.34 C ATOM 1255 O VAL A 76 -17.821 9.111 -13.491 1.00 15.30 O ATOM 1256 CB VAL A 76 -20.113 9.879 -15.685 1.00 53.03 C ATOM 1257 CG1 VAL A 76 -20.292 10.471 -17.075 1.00 62.11 C ATOM 1258 CG2 VAL A 76 -21.357 9.114 -15.259 1.00 30.20 C ATOM 0 H VAL A 76 -19.983 7.680 -16.876 1.00 23.40 H new ATOM 0 HA VAL A 76 -18.009 9.519 -15.999 1.00 42.13 H new ATOM 0 HB VAL A 76 -19.960 10.699 -14.984 1.00 53.03 H new ATOM 0 HG11 VAL A 76 -21.171 11.115 -17.086 1.00 62.11 H new ATOM 0 HG12 VAL A 76 -19.410 11.056 -17.338 1.00 62.11 H new ATOM 0 HG13 VAL A 76 -20.423 9.667 -17.799 1.00 62.11 H new ATOM 0 HG21 VAL A 76 -22.222 9.777 -15.295 1.00 30.20 H new ATOM 0 HG22 VAL A 76 -21.516 8.273 -15.934 1.00 30.20 H new ATOM 0 HG23 VAL A 76 -21.226 8.744 -14.242 1.00 30.20 H new ATOM 1268 N ALA A 77 -19.343 7.480 -13.782 1.00 53.13 N ATOM 1269 CA ALA A 77 -19.204 6.957 -12.429 1.00 4.53 C ATOM 1270 C ALA A 77 -17.752 6.601 -12.125 1.00 35.10 C ATOM 1271 O ALA A 77 -17.273 6.812 -11.012 1.00 23.25 O ATOM 1272 CB ALA A 77 -20.099 5.742 -12.237 1.00 40.32 C ATOM 0 H ALA A 77 -20.020 6.982 -14.359 1.00 53.13 H new ATOM 0 HA ALA A 77 -19.514 7.735 -11.732 1.00 4.53 H new ATOM 0 HB1 ALA A 77 -19.984 5.362 -11.222 1.00 40.32 H new ATOM 0 HB2 ALA A 77 -21.138 6.026 -12.403 1.00 40.32 H new ATOM 0 HB3 ALA A 77 -19.817 4.966 -12.948 1.00 40.32 H new ATOM 1278 N GLN A 78 -17.060 6.059 -13.122 1.00 1.23 N ATOM 1279 CA GLN A 78 -15.664 5.672 -12.959 1.00 44.22 C ATOM 1280 C GLN A 78 -14.774 6.900 -12.798 1.00 5.10 C ATOM 1281 O GLN A 78 -13.752 6.853 -12.113 1.00 63.50 O ATOM 1282 CB GLN A 78 -15.199 4.845 -14.159 1.00 22.42 C ATOM 1283 CG GLN A 78 -13.849 4.177 -13.951 1.00 30.21 C ATOM 1284 CD GLN A 78 -13.648 2.974 -14.851 1.00 75.40 C ATOM 1285 OE1 GLN A 78 -13.039 3.075 -15.916 1.00 4.31 O ATOM 1286 NE2 GLN A 78 -14.162 1.825 -14.427 1.00 62.31 N ATOM 0 H GLN A 78 -17.443 5.878 -14.050 1.00 1.23 H new ATOM 0 HA GLN A 78 -15.584 5.067 -12.056 1.00 44.22 H new ATOM 0 HB2 GLN A 78 -15.945 4.079 -14.373 1.00 22.42 H new ATOM 0 HB3 GLN A 78 -15.144 5.491 -15.035 1.00 22.42 H new ATOM 0 HG2 GLN A 78 -13.057 4.902 -14.138 1.00 30.21 H new ATOM 0 HG3 GLN A 78 -13.758 3.866 -12.910 1.00 30.21 H new ATOM 0 HE21 GLN A 78 -14.659 1.786 -13.537 1.00 62.31 H new ATOM 0 HE22 GLN A 78 -14.059 0.981 -14.991 1.00 62.31 H new ATOM 1295 N ARG A 79 -15.168 7.998 -13.434 1.00 14.54 N ATOM 1296 CA ARG A 79 -14.405 9.239 -13.362 1.00 33.32 C ATOM 1297 C ARG A 79 -14.233 9.688 -11.914 1.00 24.32 C ATOM 1298 O ARG A 79 -13.145 10.096 -11.505 1.00 1.33 O ATOM 1299 CB ARG A 79 -15.100 10.337 -14.168 1.00 53.42 C ATOM 1300 CG ARG A 79 -14.139 11.228 -14.938 1.00 51.40 C ATOM 1301 CD ARG A 79 -14.369 11.130 -16.438 1.00 42.41 C ATOM 1302 NE ARG A 79 -13.747 9.940 -17.010 1.00 64.54 N ATOM 1303 CZ ARG A 79 -13.835 9.609 -18.294 1.00 34.21 C ATOM 1304 NH1 ARG A 79 -14.517 10.376 -19.134 1.00 23.41 N ATOM 1305 NH2 ARG A 79 -13.241 8.509 -18.739 1.00 55.04 N ATOM 0 H ARG A 79 -16.011 8.054 -14.005 1.00 14.54 H new ATOM 0 HA ARG A 79 -13.418 9.055 -13.787 1.00 33.32 H new ATOM 0 HB2 ARG A 79 -15.796 9.876 -14.869 1.00 53.42 H new ATOM 0 HB3 ARG A 79 -15.691 10.954 -13.491 1.00 53.42 H new ATOM 0 HG2 ARG A 79 -14.263 12.262 -14.617 1.00 51.40 H new ATOM 0 HG3 ARG A 79 -13.113 10.943 -14.707 1.00 51.40 H new ATOM 0 HD2 ARG A 79 -15.440 11.112 -16.640 1.00 42.41 H new ATOM 0 HD3 ARG A 79 -13.968 12.019 -16.925 1.00 42.41 H new ATOM 0 HE ARG A 79 -13.216 9.329 -16.390 1.00 64.54 H new ATOM 0 HH11 ARG A 79 -14.975 11.222 -18.795 1.00 23.41 H new ATOM 0 HH12 ARG A 79 -14.583 10.120 -20.119 1.00 23.41 H new ATOM 0 HH21 ARG A 79 -12.716 7.917 -18.095 1.00 55.04 H new ATOM 0 HH22 ARG A 79 -13.309 8.256 -19.725 1.00 55.04 H new ATOM 1319 N LEU A 80 -15.312 9.610 -11.143 1.00 63.20 N ATOM 1320 CA LEU A 80 -15.280 10.009 -9.740 1.00 74.51 C ATOM 1321 C LEU A 80 -15.115 8.794 -8.832 1.00 65.14 C ATOM 1322 O LEU A 80 -15.020 8.928 -7.613 1.00 34.33 O ATOM 1323 CB LEU A 80 -16.561 10.761 -9.375 1.00 2.53 C ATOM 1324 CG LEU A 80 -17.839 9.925 -9.321 1.00 75.32 C ATOM 1325 CD1 LEU A 80 -18.829 10.524 -8.334 1.00 40.53 C ATOM 1326 CD2 LEU A 80 -18.463 9.815 -10.705 1.00 34.12 C ATOM 0 H LEU A 80 -16.220 9.274 -11.465 1.00 63.20 H new ATOM 0 HA LEU A 80 -14.424 10.668 -9.594 1.00 74.51 H new ATOM 0 HB2 LEU A 80 -16.417 11.231 -8.402 1.00 2.53 H new ATOM 0 HB3 LEU A 80 -16.706 11.563 -10.099 1.00 2.53 H new ATOM 0 HG LEU A 80 -17.580 8.923 -8.980 1.00 75.32 H new ATOM 0 HD11 LEU A 80 -19.732 9.915 -8.310 1.00 40.53 H new ATOM 0 HD12 LEU A 80 -18.382 10.550 -7.340 1.00 40.53 H new ATOM 0 HD13 LEU A 80 -19.083 11.538 -8.644 1.00 40.53 H new ATOM 0 HD21 LEU A 80 -19.372 9.216 -10.648 1.00 34.12 H new ATOM 0 HD22 LEU A 80 -18.707 10.811 -11.074 1.00 34.12 H new ATOM 0 HD23 LEU A 80 -17.757 9.339 -11.386 1.00 34.12 H new ATOM 1338 N GLN A 81 -15.078 7.611 -9.437 1.00 24.34 N ATOM 1339 CA GLN A 81 -14.921 6.373 -8.682 1.00 74.22 C ATOM 1340 C GLN A 81 -16.109 6.149 -7.751 1.00 64.04 C ATOM 1341 O GLN A 81 -15.935 5.892 -6.560 1.00 33.23 O ATOM 1342 CB GLN A 81 -13.623 6.404 -7.874 1.00 31.12 C ATOM 1343 CG GLN A 81 -13.250 5.060 -7.270 1.00 31.41 C ATOM 1344 CD GLN A 81 -12.917 5.155 -5.794 1.00 13.00 C ATOM 1345 OE1 GLN A 81 -13.800 5.066 -4.940 1.00 3.22 O ATOM 1346 NE2 GLN A 81 -11.638 5.337 -5.486 1.00 35.22 N ATOM 0 H GLN A 81 -15.154 7.484 -10.446 1.00 24.34 H new ATOM 0 HA GLN A 81 -14.878 5.547 -9.392 1.00 74.22 H new ATOM 0 HB2 GLN A 81 -12.811 6.741 -8.519 1.00 31.12 H new ATOM 0 HB3 GLN A 81 -13.720 7.138 -7.074 1.00 31.12 H new ATOM 0 HG2 GLN A 81 -14.076 4.362 -7.408 1.00 31.41 H new ATOM 0 HG3 GLN A 81 -12.394 4.650 -7.806 1.00 31.41 H new ATOM 0 HE21 GLN A 81 -10.940 5.405 -6.226 1.00 35.22 H new ATOM 0 HE22 GLN A 81 -11.354 5.409 -4.509 1.00 35.22 H new ATOM 1355 N ILE A 82 -17.313 6.249 -8.303 1.00 33.02 N ATOM 1356 CA ILE A 82 -18.529 6.057 -7.522 1.00 22.35 C ATOM 1357 C ILE A 82 -19.123 4.673 -7.761 1.00 70.10 C ATOM 1358 O ILE A 82 -19.705 4.071 -6.858 1.00 43.14 O ATOM 1359 CB ILE A 82 -19.588 7.123 -7.857 1.00 12.01 C ATOM 1360 CG1 ILE A 82 -20.802 6.974 -6.938 1.00 34.21 C ATOM 1361 CG2 ILE A 82 -20.005 7.015 -9.316 1.00 71.11 C ATOM 1362 CD1 ILE A 82 -21.316 8.290 -6.396 1.00 63.43 C ATOM 0 H ILE A 82 -17.473 6.462 -9.288 1.00 33.02 H new ATOM 0 HA ILE A 82 -18.249 6.153 -6.473 1.00 22.35 H new ATOM 0 HB ILE A 82 -19.153 8.109 -7.696 1.00 12.01 H new ATOM 0 HG12 ILE A 82 -21.603 6.478 -7.486 1.00 34.21 H new ATOM 0 HG13 ILE A 82 -20.538 6.325 -6.103 1.00 34.21 H new ATOM 0 HG21 ILE A 82 -20.754 7.775 -9.538 1.00 71.11 H new ATOM 0 HG22 ILE A 82 -19.135 7.166 -9.955 1.00 71.11 H new ATOM 0 HG23 ILE A 82 -20.425 6.027 -9.502 1.00 71.11 H new ATOM 0 HD11 ILE A 82 -22.177 8.107 -5.753 1.00 63.43 H new ATOM 0 HD12 ILE A 82 -20.530 8.778 -5.820 1.00 63.43 H new ATOM 0 HD13 ILE A 82 -21.612 8.934 -7.224 1.00 63.43 H new ATOM 1374 N SER A 83 -18.971 4.173 -8.983 1.00 50.03 N ATOM 1375 CA SER A 83 -19.494 2.860 -9.343 1.00 13.32 C ATOM 1376 C SER A 83 -18.473 2.073 -10.158 1.00 60.00 C ATOM 1377 O SER A 83 -18.671 1.824 -11.347 1.00 61.43 O ATOM 1378 CB SER A 83 -20.794 3.006 -10.136 1.00 72.22 C ATOM 1379 OG SER A 83 -21.554 1.810 -10.095 1.00 4.11 O ATOM 0 H SER A 83 -18.490 4.657 -9.741 1.00 50.03 H new ATOM 0 HA SER A 83 -19.698 2.312 -8.423 1.00 13.32 H new ATOM 0 HB2 SER A 83 -21.382 3.828 -9.728 1.00 72.22 H new ATOM 0 HB3 SER A 83 -20.566 3.260 -11.171 1.00 72.22 H new ATOM 0 HG SER A 83 -22.504 2.022 -10.205 1.00 4.11 H new ATOM 1385 N ASP A 84 -17.381 1.685 -9.510 1.00 24.34 N ATOM 1386 CA ASP A 84 -16.327 0.925 -10.173 1.00 33.44 C ATOM 1387 C ASP A 84 -16.581 -0.575 -10.052 1.00 52.23 C ATOM 1388 O ASP A 84 -15.758 -1.313 -9.511 1.00 4.41 O ATOM 1389 CB ASP A 84 -14.964 1.273 -9.574 1.00 44.23 C ATOM 1390 CG ASP A 84 -14.296 2.431 -10.290 1.00 13.32 C ATOM 1391 OD1 ASP A 84 -14.985 3.438 -10.560 1.00 64.12 O ATOM 1392 OD2 ASP A 84 -13.086 2.331 -10.579 1.00 3.44 O ATOM 0 H ASP A 84 -17.202 1.884 -8.526 1.00 24.34 H new ATOM 0 HA ASP A 84 -16.330 1.192 -11.230 1.00 33.44 H new ATOM 0 HB2 ASP A 84 -15.087 1.523 -8.520 1.00 44.23 H new ATOM 0 HB3 ASP A 84 -14.316 0.398 -9.621 1.00 44.23 H new ATOM 1397 N TYR A 85 -17.726 -1.018 -10.559 1.00 71.14 N ATOM 1398 CA TYR A 85 -18.090 -2.429 -10.506 1.00 13.13 C ATOM 1399 C TYR A 85 -18.375 -2.864 -9.071 1.00 54.24 C ATOM 1400 O TYR A 85 -19.025 -2.146 -8.312 1.00 12.21 O ATOM 1401 CB TYR A 85 -16.973 -3.289 -11.098 1.00 43.34 C ATOM 1402 CG TYR A 85 -16.378 -2.718 -12.366 1.00 64.40 C ATOM 1403 CD1 TYR A 85 -17.188 -2.344 -13.431 1.00 31.34 C ATOM 1404 CD2 TYR A 85 -15.004 -2.553 -12.499 1.00 13.24 C ATOM 1405 CE1 TYR A 85 -16.648 -1.824 -14.591 1.00 15.43 C ATOM 1406 CE2 TYR A 85 -14.456 -2.032 -13.654 1.00 40.45 C ATOM 1407 CZ TYR A 85 -15.282 -1.669 -14.698 1.00 11.02 C ATOM 1408 OH TYR A 85 -14.741 -1.149 -15.851 1.00 63.33 O ATOM 0 H TYR A 85 -18.418 -0.421 -11.011 1.00 71.14 H new ATOM 0 HA TYR A 85 -18.996 -2.566 -11.096 1.00 13.13 H new ATOM 0 HB2 TYR A 85 -16.183 -3.405 -10.356 1.00 43.34 H new ATOM 0 HB3 TYR A 85 -17.364 -4.285 -11.306 1.00 43.34 H new ATOM 0 HD1 TYR A 85 -18.259 -2.462 -13.350 1.00 31.34 H new ATOM 0 HD2 TYR A 85 -14.354 -2.837 -11.685 1.00 13.24 H new ATOM 0 HE1 TYR A 85 -17.292 -1.540 -15.410 1.00 15.43 H new ATOM 0 HE2 TYR A 85 -13.386 -1.909 -13.740 1.00 40.45 H new ATOM 0 HH TYR A 85 -13.766 -1.105 -15.764 1.00 63.33 H new ATOM 1418 N GLN A 86 -17.884 -4.044 -8.709 1.00 25.10 N ATOM 1419 CA GLN A 86 -18.085 -4.575 -7.366 1.00 70.52 C ATOM 1420 C GLN A 86 -17.694 -3.548 -6.310 1.00 1.54 C ATOM 1421 O GLN A 86 -18.302 -3.480 -5.242 1.00 52.40 O ATOM 1422 CB GLN A 86 -17.271 -5.856 -7.174 1.00 73.53 C ATOM 1423 CG GLN A 86 -15.772 -5.654 -7.326 1.00 14.52 C ATOM 1424 CD GLN A 86 -14.992 -6.946 -7.190 1.00 2.12 C ATOM 1425 OE1 GLN A 86 -14.989 -7.781 -8.094 1.00 74.34 O ATOM 1426 NE2 GLN A 86 -14.323 -7.117 -6.055 1.00 72.44 N ATOM 0 H GLN A 86 -17.344 -4.651 -9.326 1.00 25.10 H new ATOM 0 HA GLN A 86 -19.144 -4.804 -7.249 1.00 70.52 H new ATOM 0 HB2 GLN A 86 -17.476 -6.261 -6.183 1.00 73.53 H new ATOM 0 HB3 GLN A 86 -17.604 -6.600 -7.898 1.00 73.53 H new ATOM 0 HG2 GLN A 86 -15.566 -5.211 -8.300 1.00 14.52 H new ATOM 0 HG3 GLN A 86 -15.427 -4.945 -6.574 1.00 14.52 H new ATOM 0 HE21 GLN A 86 -14.353 -6.398 -5.332 1.00 72.44 H new ATOM 0 HE22 GLN A 86 -13.779 -7.967 -5.907 1.00 72.44 H new ATOM 1435 N GLN A 87 -16.675 -2.750 -6.615 1.00 71.52 N ATOM 1436 CA GLN A 87 -16.203 -1.727 -5.690 1.00 43.25 C ATOM 1437 C GLN A 87 -17.336 -0.787 -5.294 1.00 12.33 C ATOM 1438 O GLN A 87 -17.301 -0.169 -4.228 1.00 63.25 O ATOM 1439 CB GLN A 87 -15.059 -0.929 -6.320 1.00 75.12 C ATOM 1440 CG GLN A 87 -13.736 -1.080 -5.587 1.00 72.34 C ATOM 1441 CD GLN A 87 -13.075 0.252 -5.297 1.00 5.23 C ATOM 1442 OE1 GLN A 87 -13.646 1.108 -4.620 1.00 70.22 O ATOM 1443 NE2 GLN A 87 -11.863 0.436 -5.807 1.00 64.45 N ATOM 0 H GLN A 87 -16.161 -2.793 -7.495 1.00 71.52 H new ATOM 0 HA GLN A 87 -15.838 -2.225 -4.792 1.00 43.25 H new ATOM 0 HB2 GLN A 87 -14.930 -1.249 -7.354 1.00 75.12 H new ATOM 0 HB3 GLN A 87 -15.333 0.126 -6.344 1.00 75.12 H new ATOM 0 HG2 GLN A 87 -13.903 -1.610 -4.649 1.00 72.34 H new ATOM 0 HG3 GLN A 87 -13.062 -1.693 -6.185 1.00 72.34 H new ATOM 0 HE21 GLN A 87 -11.426 -0.300 -6.362 1.00 64.45 H new ATOM 0 HE22 GLN A 87 -11.369 1.313 -5.643 1.00 64.45 H new ATOM 1452 N LEU A 88 -18.341 -0.682 -6.157 1.00 23.23 N ATOM 1453 CA LEU A 88 -19.486 0.183 -5.897 1.00 2.54 C ATOM 1454 C LEU A 88 -20.101 -0.122 -4.535 1.00 33.11 C ATOM 1455 O LEU A 88 -20.696 0.750 -3.902 1.00 45.24 O ATOM 1456 CB LEU A 88 -20.538 0.014 -6.994 1.00 42.11 C ATOM 1457 CG LEU A 88 -21.909 0.628 -6.710 1.00 32.32 C ATOM 1458 CD1 LEU A 88 -21.776 2.109 -6.394 1.00 41.42 C ATOM 1459 CD2 LEU A 88 -22.844 0.414 -7.891 1.00 53.21 C ATOM 0 H LEU A 88 -18.386 -1.185 -7.043 1.00 23.23 H new ATOM 0 HA LEU A 88 -19.136 1.215 -5.894 1.00 2.54 H new ATOM 0 HB2 LEU A 88 -20.149 0.453 -7.913 1.00 42.11 H new ATOM 0 HB3 LEU A 88 -20.671 -1.052 -7.181 1.00 42.11 H new ATOM 0 HG LEU A 88 -22.336 0.129 -5.840 1.00 32.32 H new ATOM 0 HD11 LEU A 88 -22.762 2.528 -6.195 1.00 41.42 H new ATOM 0 HD12 LEU A 88 -21.143 2.238 -5.516 1.00 41.42 H new ATOM 0 HD13 LEU A 88 -21.328 2.624 -7.244 1.00 41.42 H new ATOM 0 HD21 LEU A 88 -23.815 0.857 -7.671 1.00 53.21 H new ATOM 0 HD22 LEU A 88 -22.422 0.885 -8.779 1.00 53.21 H new ATOM 0 HD23 LEU A 88 -22.965 -0.654 -8.070 1.00 53.21 H new ATOM 1471 N GLU A 89 -19.952 -1.366 -4.089 1.00 54.24 N ATOM 1472 CA GLU A 89 -20.493 -1.785 -2.802 1.00 21.13 C ATOM 1473 C GLU A 89 -19.751 -1.107 -1.653 1.00 54.45 C ATOM 1474 O GLU A 89 -20.365 -0.637 -0.695 1.00 73.32 O ATOM 1475 CB GLU A 89 -20.400 -3.305 -2.655 1.00 75.43 C ATOM 1476 CG GLU A 89 -21.741 -3.975 -2.406 1.00 72.50 C ATOM 1477 CD GLU A 89 -22.405 -4.446 -3.686 1.00 12.24 C ATOM 1478 OE1 GLU A 89 -22.420 -3.673 -4.666 1.00 2.30 O ATOM 1479 OE2 GLU A 89 -22.910 -5.588 -3.706 1.00 51.00 O ATOM 0 H GLU A 89 -19.462 -2.100 -4.600 1.00 54.24 H new ATOM 0 HA GLU A 89 -21.540 -1.486 -2.763 1.00 21.13 H new ATOM 0 HB2 GLU A 89 -19.957 -3.723 -3.559 1.00 75.43 H new ATOM 0 HB3 GLU A 89 -19.727 -3.542 -1.831 1.00 75.43 H new ATOM 0 HG2 GLU A 89 -21.599 -4.826 -1.740 1.00 72.50 H new ATOM 0 HG3 GLU A 89 -22.402 -3.276 -1.894 1.00 72.50 H new ATOM 1486 N SER A 90 -18.427 -1.059 -1.758 1.00 32.41 N ATOM 1487 CA SER A 90 -17.601 -0.443 -0.727 1.00 4.31 C ATOM 1488 C SER A 90 -17.819 1.067 -0.686 1.00 61.34 C ATOM 1489 O SER A 90 -17.939 1.659 0.387 1.00 71.33 O ATOM 1490 CB SER A 90 -16.123 -0.749 -0.977 1.00 63.14 C ATOM 1491 OG SER A 90 -15.756 -1.993 -0.405 1.00 44.44 O ATOM 0 H SER A 90 -17.904 -1.439 -2.547 1.00 32.41 H new ATOM 0 HA SER A 90 -17.894 -0.862 0.236 1.00 4.31 H new ATOM 0 HB2 SER A 90 -15.928 -0.767 -2.049 1.00 63.14 H new ATOM 0 HB3 SER A 90 -15.507 0.045 -0.554 1.00 63.14 H new ATOM 0 HG SER A 90 -14.807 -2.166 -0.580 1.00 44.44 H new ATOM 1497 N ILE A 91 -17.869 1.683 -1.863 1.00 20.44 N ATOM 1498 CA ILE A 91 -18.074 3.122 -1.962 1.00 42.33 C ATOM 1499 C ILE A 91 -19.460 3.516 -1.464 1.00 53.14 C ATOM 1500 O ILE A 91 -19.618 4.514 -0.761 1.00 33.14 O ATOM 1501 CB ILE A 91 -17.901 3.616 -3.411 1.00 14.52 C ATOM 1502 CG1 ILE A 91 -16.515 3.241 -3.939 1.00 53.22 C ATOM 1503 CG2 ILE A 91 -18.113 5.121 -3.486 1.00 13.22 C ATOM 1504 CD1 ILE A 91 -16.544 2.595 -5.307 1.00 15.24 C ATOM 0 H ILE A 91 -17.770 1.208 -2.760 1.00 20.44 H new ATOM 0 HA ILE A 91 -17.318 3.593 -1.333 1.00 42.33 H new ATOM 0 HB ILE A 91 -18.651 3.131 -4.037 1.00 14.52 H new ATOM 0 HG12 ILE A 91 -15.897 4.138 -3.983 1.00 53.22 H new ATOM 0 HG13 ILE A 91 -16.039 2.559 -3.234 1.00 53.22 H new ATOM 0 HG21 ILE A 91 -17.987 5.455 -4.516 1.00 13.22 H new ATOM 0 HG22 ILE A 91 -19.120 5.364 -3.146 1.00 13.22 H new ATOM 0 HG23 ILE A 91 -17.384 5.623 -2.850 1.00 13.22 H new ATOM 0 HD11 ILE A 91 -15.527 2.356 -5.618 1.00 15.24 H new ATOM 0 HD12 ILE A 91 -17.135 1.680 -5.265 1.00 15.24 H new ATOM 0 HD13 ILE A 91 -16.991 3.283 -6.025 1.00 15.24 H new ATOM 1516 N TYR A 92 -20.462 2.725 -1.833 1.00 3.11 N ATOM 1517 CA TYR A 92 -21.836 2.991 -1.424 1.00 41.03 C ATOM 1518 C TYR A 92 -21.994 2.840 0.086 1.00 73.45 C ATOM 1519 O TYR A 92 -22.681 3.631 0.732 1.00 74.20 O ATOM 1520 CB TYR A 92 -22.797 2.045 -2.147 1.00 0.35 C ATOM 1521 CG TYR A 92 -24.246 2.466 -2.052 1.00 11.23 C ATOM 1522 CD1 TYR A 92 -24.676 3.674 -2.586 1.00 42.44 C ATOM 1523 CD2 TYR A 92 -25.186 1.655 -1.428 1.00 30.21 C ATOM 1524 CE1 TYR A 92 -25.999 4.063 -2.501 1.00 44.12 C ATOM 1525 CE2 TYR A 92 -26.511 2.035 -1.339 1.00 73.24 C ATOM 1526 CZ TYR A 92 -26.913 3.240 -1.877 1.00 65.11 C ATOM 1527 OH TYR A 92 -28.231 3.623 -1.791 1.00 75.24 O ATOM 0 H TYR A 92 -20.348 1.895 -2.414 1.00 3.11 H new ATOM 0 HA TYR A 92 -22.077 4.019 -1.694 1.00 41.03 H new ATOM 0 HB2 TYR A 92 -22.513 1.985 -3.198 1.00 0.35 H new ATOM 0 HB3 TYR A 92 -22.690 1.044 -1.730 1.00 0.35 H new ATOM 0 HD1 TYR A 92 -23.963 4.321 -3.076 1.00 42.44 H new ATOM 0 HD2 TYR A 92 -24.875 0.711 -1.005 1.00 30.21 H new ATOM 0 HE1 TYR A 92 -26.316 5.006 -2.921 1.00 44.12 H new ATOM 0 HE2 TYR A 92 -27.228 1.392 -0.851 1.00 73.24 H new ATOM 0 HH TYR A 92 -28.743 2.931 -1.323 1.00 75.24 H new ATOM 1537 N PHE A 93 -21.353 1.817 0.642 1.00 44.45 N ATOM 1538 CA PHE A 93 -21.421 1.560 2.075 1.00 13.23 C ATOM 1539 C PHE A 93 -20.772 2.694 2.863 1.00 41.30 C ATOM 1540 O PHE A 93 -21.366 3.236 3.795 1.00 2.33 O ATOM 1541 CB PHE A 93 -20.736 0.234 2.410 1.00 32.25 C ATOM 1542 CG PHE A 93 -21.369 -0.493 3.563 1.00 63.35 C ATOM 1543 CD1 PHE A 93 -21.611 0.158 4.761 1.00 12.40 C ATOM 1544 CD2 PHE A 93 -21.721 -1.828 3.447 1.00 73.22 C ATOM 1545 CE1 PHE A 93 -22.192 -0.509 5.823 1.00 54.32 C ATOM 1546 CE2 PHE A 93 -22.303 -2.500 4.505 1.00 32.42 C ATOM 1547 CZ PHE A 93 -22.540 -1.839 5.694 1.00 20.33 C ATOM 0 H PHE A 93 -20.781 1.153 0.121 1.00 44.45 H new ATOM 0 HA PHE A 93 -22.472 1.500 2.358 1.00 13.23 H new ATOM 0 HB2 PHE A 93 -20.756 -0.409 1.530 1.00 32.25 H new ATOM 0 HB3 PHE A 93 -19.688 0.424 2.642 1.00 32.25 H new ATOM 0 HD1 PHE A 93 -21.343 1.199 4.867 1.00 12.40 H new ATOM 0 HD2 PHE A 93 -21.538 -2.349 2.519 1.00 73.22 H new ATOM 0 HE1 PHE A 93 -22.374 0.010 6.753 1.00 54.32 H new ATOM 0 HE2 PHE A 93 -22.572 -3.541 4.402 1.00 32.42 H new ATOM 0 HZ PHE A 93 -22.997 -2.361 6.522 1.00 20.33 H new ATOM 1557 N ARG A 94 -19.549 3.047 2.481 1.00 2.13 N ATOM 1558 CA ARG A 94 -18.817 4.115 3.152 1.00 33.02 C ATOM 1559 C ARG A 94 -19.537 5.451 2.991 1.00 4.04 C ATOM 1560 O ARG A 94 -19.484 6.306 3.876 1.00 22.22 O ATOM 1561 CB ARG A 94 -17.397 4.218 2.594 1.00 62.02 C ATOM 1562 CG ARG A 94 -16.386 3.360 3.337 1.00 33.14 C ATOM 1563 CD ARG A 94 -15.953 2.163 2.506 1.00 62.12 C ATOM 1564 NE ARG A 94 -16.761 0.980 2.787 1.00 73.42 N ATOM 1565 CZ ARG A 94 -16.368 -0.260 2.518 1.00 62.25 C ATOM 1566 NH1 ARG A 94 -15.183 -0.478 1.964 1.00 41.32 N ATOM 1567 NH2 ARG A 94 -17.160 -1.286 2.803 1.00 50.23 N ATOM 0 H ARG A 94 -19.044 2.609 1.710 1.00 2.13 H new ATOM 0 HA ARG A 94 -18.766 3.875 4.214 1.00 33.02 H new ATOM 0 HB2 ARG A 94 -17.406 3.926 1.544 1.00 62.02 H new ATOM 0 HB3 ARG A 94 -17.075 5.259 2.632 1.00 62.02 H new ATOM 0 HG2 ARG A 94 -15.514 3.962 3.592 1.00 33.14 H new ATOM 0 HG3 ARG A 94 -16.820 3.015 4.275 1.00 33.14 H new ATOM 0 HD2 ARG A 94 -16.029 2.410 1.447 1.00 62.12 H new ATOM 0 HD3 ARG A 94 -14.905 1.942 2.707 1.00 62.12 H new ATOM 0 HE ARG A 94 -17.678 1.113 3.213 1.00 73.42 H new ATOM 0 HH11 ARG A 94 -14.571 0.308 1.743 1.00 41.32 H new ATOM 0 HH12 ARG A 94 -14.884 -1.431 1.759 1.00 41.32 H new ATOM 0 HH21 ARG A 94 -18.072 -1.123 3.229 1.00 50.23 H new ATOM 0 HH22 ARG A 94 -16.857 -2.237 2.596 1.00 50.23 H new ATOM 1581 N ILE A 95 -20.207 5.623 1.857 1.00 11.33 N ATOM 1582 CA ILE A 95 -20.937 6.855 1.581 1.00 21.54 C ATOM 1583 C ILE A 95 -22.271 6.880 2.319 1.00 33.32 C ATOM 1584 O ILE A 95 -22.812 7.947 2.610 1.00 55.30 O ATOM 1585 CB ILE A 95 -21.194 7.031 0.073 1.00 23.11 C ATOM 1586 CG1 ILE A 95 -19.895 7.396 -0.648 1.00 64.23 C ATOM 1587 CG2 ILE A 95 -22.254 8.096 -0.163 1.00 11.04 C ATOM 1588 CD1 ILE A 95 -20.001 7.329 -2.156 1.00 13.13 C ATOM 0 H ILE A 95 -20.260 4.926 1.115 1.00 11.33 H new ATOM 0 HA ILE A 95 -20.314 7.677 1.933 1.00 21.54 H new ATOM 0 HB ILE A 95 -21.559 6.087 -0.331 1.00 23.11 H new ATOM 0 HG12 ILE A 95 -19.598 8.404 -0.357 1.00 64.23 H new ATOM 0 HG13 ILE A 95 -19.104 6.723 -0.317 1.00 64.23 H new ATOM 0 HG21 ILE A 95 -22.424 8.209 -1.234 1.00 11.04 H new ATOM 0 HG22 ILE A 95 -23.183 7.799 0.323 1.00 11.04 H new ATOM 0 HG23 ILE A 95 -21.915 9.045 0.252 1.00 11.04 H new ATOM 0 HD11 ILE A 95 -19.043 7.600 -2.600 1.00 13.13 H new ATOM 0 HD12 ILE A 95 -20.267 6.316 -2.457 1.00 13.13 H new ATOM 0 HD13 ILE A 95 -20.769 8.023 -2.498 1.00 13.13 H new ATOM 1600 N LEU A 96 -22.796 5.697 2.621 1.00 53.30 N ATOM 1601 CA LEU A 96 -24.067 5.583 3.327 1.00 35.45 C ATOM 1602 C LEU A 96 -23.859 5.647 4.837 1.00 12.11 C ATOM 1603 O LEU A 96 -24.795 5.912 5.593 1.00 31.31 O ATOM 1604 CB LEU A 96 -24.765 4.274 2.953 1.00 73.11 C ATOM 1605 CG LEU A 96 -25.862 4.378 1.893 1.00 72.33 C ATOM 1606 CD1 LEU A 96 -26.983 5.287 2.372 1.00 52.14 C ATOM 1607 CD2 LEU A 96 -25.287 4.884 0.578 1.00 50.10 C ATOM 0 H LEU A 96 -22.361 4.804 2.388 1.00 53.30 H new ATOM 0 HA LEU A 96 -24.696 6.422 3.029 1.00 35.45 H new ATOM 0 HB2 LEU A 96 -24.011 3.572 2.599 1.00 73.11 H new ATOM 0 HB3 LEU A 96 -25.200 3.846 3.856 1.00 73.11 H new ATOM 0 HG LEU A 96 -26.275 3.383 1.727 1.00 72.33 H new ATOM 0 HD11 LEU A 96 -27.754 5.349 1.604 1.00 52.14 H new ATOM 0 HD12 LEU A 96 -27.414 4.882 3.288 1.00 52.14 H new ATOM 0 HD13 LEU A 96 -26.585 6.283 2.568 1.00 52.14 H new ATOM 0 HD21 LEU A 96 -26.082 4.952 -0.165 1.00 50.10 H new ATOM 0 HD22 LEU A 96 -24.846 5.870 0.729 1.00 50.10 H new ATOM 0 HD23 LEU A 96 -24.520 4.194 0.227 1.00 50.10 H new ATOM 1619 N LEU A 97 -22.627 5.406 5.270 1.00 64.22 N ATOM 1620 CA LEU A 97 -22.294 5.439 6.690 1.00 71.42 C ATOM 1621 C LEU A 97 -22.936 6.643 7.372 1.00 71.43 C ATOM 1622 O LEU A 97 -23.246 7.653 6.740 1.00 70.32 O ATOM 1623 CB LEU A 97 -20.777 5.481 6.878 1.00 65.05 C ATOM 1624 CG LEU A 97 -20.129 4.199 7.402 1.00 70.22 C ATOM 1625 CD1 LEU A 97 -20.491 3.017 6.516 1.00 42.14 C ATOM 1626 CD2 LEU A 97 -18.618 4.361 7.488 1.00 74.24 C ATOM 0 H LEU A 97 -21.841 5.185 4.658 1.00 64.22 H new ATOM 0 HA LEU A 97 -22.686 4.532 7.151 1.00 71.42 H new ATOM 0 HB2 LEU A 97 -20.319 5.730 5.921 1.00 65.05 H new ATOM 0 HB3 LEU A 97 -20.539 6.292 7.566 1.00 65.05 H new ATOM 0 HG LEU A 97 -20.511 4.006 8.404 1.00 70.22 H new ATOM 0 HD11 LEU A 97 -20.021 2.114 6.905 1.00 42.14 H new ATOM 0 HD12 LEU A 97 -21.573 2.887 6.506 1.00 42.14 H new ATOM 0 HD13 LEU A 97 -20.139 3.202 5.501 1.00 42.14 H new ATOM 0 HD21 LEU A 97 -18.174 3.439 7.863 1.00 74.24 H new ATOM 0 HD22 LEU A 97 -18.219 4.580 6.498 1.00 74.24 H new ATOM 0 HD23 LEU A 97 -18.378 5.181 8.165 1.00 74.24 H new ATOM 1638 N PRO A 98 -23.139 6.536 8.693 1.00 32.22 N ATOM 1639 CA PRO A 98 -23.743 7.607 9.490 1.00 13.54 C ATOM 1640 C PRO A 98 -22.823 8.815 9.630 1.00 0.14 C ATOM 1641 O PRO A 98 -23.277 9.960 9.608 1.00 23.53 O ATOM 1642 CB PRO A 98 -23.973 6.949 10.853 1.00 10.42 C ATOM 1643 CG PRO A 98 -22.964 5.856 10.921 1.00 65.11 C ATOM 1644 CD PRO A 98 -22.794 5.361 9.511 1.00 32.11 C ATOM 0 HA PRO A 98 -24.652 7.994 9.030 1.00 13.54 H new ATOM 0 HB2 PRO A 98 -23.838 7.663 11.665 1.00 10.42 H new ATOM 0 HB3 PRO A 98 -24.987 6.558 10.938 1.00 10.42 H new ATOM 0 HG2 PRO A 98 -22.019 6.222 11.323 1.00 65.11 H new ATOM 0 HG3 PRO A 98 -23.301 5.054 11.578 1.00 65.11 H new ATOM 0 HD2 PRO A 98 -21.774 5.026 9.323 1.00 32.11 H new ATOM 0 HD3 PRO A 98 -23.451 4.517 9.299 1.00 32.11 H new ATOM 1652 N TYR A 99 -21.529 8.553 9.774 1.00 43.11 N ATOM 1653 CA TYR A 99 -20.545 9.619 9.919 1.00 4.14 C ATOM 1654 C TYR A 99 -20.386 10.396 8.616 1.00 71.10 C ATOM 1655 O TYR A 99 -20.342 11.626 8.616 1.00 64.43 O ATOM 1656 CB TYR A 99 -19.195 9.041 10.349 1.00 72.11 C ATOM 1657 CG TYR A 99 -19.280 8.140 11.560 1.00 33.11 C ATOM 1658 CD1 TYR A 99 -19.739 8.624 12.779 1.00 22.13 C ATOM 1659 CD2 TYR A 99 -18.902 6.805 11.486 1.00 44.31 C ATOM 1660 CE1 TYR A 99 -19.818 7.805 13.889 1.00 63.31 C ATOM 1661 CE2 TYR A 99 -18.979 5.978 12.590 1.00 45.52 C ATOM 1662 CZ TYR A 99 -19.437 6.483 13.789 1.00 21.20 C ATOM 1663 OH TYR A 99 -19.514 5.663 14.891 1.00 23.34 O ATOM 0 H TYR A 99 -21.137 7.612 9.793 1.00 43.11 H new ATOM 0 HA TYR A 99 -20.901 10.304 10.688 1.00 4.14 H new ATOM 0 HB2 TYR A 99 -18.769 8.479 9.518 1.00 72.11 H new ATOM 0 HB3 TYR A 99 -18.510 9.861 10.564 1.00 72.11 H new ATOM 0 HD1 TYR A 99 -20.039 9.658 12.860 1.00 22.13 H new ATOM 0 HD2 TYR A 99 -18.542 6.407 10.549 1.00 44.31 H new ATOM 0 HE1 TYR A 99 -20.176 8.198 14.829 1.00 63.31 H new ATOM 0 HE2 TYR A 99 -18.682 4.942 12.515 1.00 45.52 H new ATOM 0 HH TYR A 99 -19.209 4.763 14.651 1.00 23.34 H new ATOM 1673 N GLU A 100 -20.302 9.667 7.507 1.00 11.50 N ATOM 1674 CA GLU A 100 -20.148 10.288 6.196 1.00 34.33 C ATOM 1675 C GLU A 100 -21.389 11.096 5.828 1.00 11.43 C ATOM 1676 O GLU A 100 -21.289 12.249 5.407 1.00 33.03 O ATOM 1677 CB GLU A 100 -19.886 9.222 5.131 1.00 74.45 C ATOM 1678 CG GLU A 100 -19.374 9.787 3.817 1.00 44.31 C ATOM 1679 CD GLU A 100 -20.445 10.533 3.045 1.00 61.21 C ATOM 1680 OE1 GLU A 100 -21.635 10.185 3.194 1.00 1.54 O ATOM 1681 OE2 GLU A 100 -20.092 11.464 2.291 1.00 13.12 O ATOM 0 H GLU A 100 -20.338 8.648 7.490 1.00 11.50 H new ATOM 0 HA GLU A 100 -19.295 10.965 6.240 1.00 34.33 H new ATOM 0 HB2 GLU A 100 -19.160 8.506 5.516 1.00 74.45 H new ATOM 0 HB3 GLU A 100 -20.808 8.672 4.945 1.00 74.45 H new ATOM 0 HG2 GLU A 100 -18.540 10.460 4.016 1.00 44.31 H new ATOM 0 HG3 GLU A 100 -18.988 8.974 3.202 1.00 44.31 H new ATOM 1688 N ARG A 101 -22.557 10.483 5.990 1.00 51.33 N ATOM 1689 CA ARG A 101 -23.817 11.145 5.673 1.00 33.40 C ATOM 1690 C ARG A 101 -24.039 12.353 6.578 1.00 54.23 C ATOM 1691 O ARG A 101 -24.596 13.366 6.153 1.00 53.02 O ATOM 1692 CB ARG A 101 -24.983 10.164 5.818 1.00 3.42 C ATOM 1693 CG ARG A 101 -25.300 9.804 7.260 1.00 3.45 C ATOM 1694 CD ARG A 101 -26.445 8.808 7.347 1.00 31.21 C ATOM 1695 NE ARG A 101 -27.396 9.157 8.399 1.00 21.22 N ATOM 1696 CZ ARG A 101 -28.307 8.316 8.875 1.00 74.43 C ATOM 1697 NH1 ARG A 101 -28.391 7.083 8.394 1.00 22.45 N ATOM 1698 NH2 ARG A 101 -29.138 8.707 9.833 1.00 44.11 N ATOM 0 H ARG A 101 -22.657 9.530 6.339 1.00 51.33 H new ATOM 0 HA ARG A 101 -23.768 11.491 4.640 1.00 33.40 H new ATOM 0 HB2 ARG A 101 -25.871 10.597 5.357 1.00 3.42 H new ATOM 0 HB3 ARG A 101 -24.750 9.252 5.267 1.00 3.42 H new ATOM 0 HG2 ARG A 101 -24.413 9.383 7.734 1.00 3.45 H new ATOM 0 HG3 ARG A 101 -25.559 10.707 7.813 1.00 3.45 H new ATOM 0 HD2 ARG A 101 -26.963 8.767 6.389 1.00 31.21 H new ATOM 0 HD3 ARG A 101 -26.045 7.812 7.536 1.00 31.21 H new ATOM 0 HE ARG A 101 -27.358 10.098 8.790 1.00 21.22 H new ATOM 0 HH11 ARG A 101 -27.755 6.779 7.657 1.00 22.45 H new ATOM 0 HH12 ARG A 101 -29.092 6.439 8.761 1.00 22.45 H new ATOM 0 HH21 ARG A 101 -29.078 9.655 10.205 1.00 44.11 H new ATOM 0 HH22 ARG A 101 -29.837 8.060 10.197 1.00 44.11 H new ATOM 1712 N HIS A 102 -23.601 12.239 7.827 1.00 3.13 N ATOM 1713 CA HIS A 102 -23.752 13.322 8.792 1.00 5.43 C ATOM 1714 C HIS A 102 -22.884 14.517 8.408 1.00 3.01 C ATOM 1715 O HIS A 102 -23.345 15.658 8.410 1.00 75.31 O ATOM 1716 CB HIS A 102 -23.382 12.839 10.195 1.00 13.21 C ATOM 1717 CG HIS A 102 -24.527 12.218 10.935 1.00 24.21 C ATOM 1718 ND1 HIS A 102 -24.423 11.754 12.230 1.00 42.43 N ATOM 1719 CD2 HIS A 102 -25.805 11.986 10.555 1.00 20.04 C ATOM 1720 CE1 HIS A 102 -25.587 11.263 12.614 1.00 74.13 C ATOM 1721 NE2 HIS A 102 -26.443 11.392 11.616 1.00 34.21 N ATOM 0 H HIS A 102 -23.139 11.408 8.195 1.00 3.13 H new ATOM 0 HA HIS A 102 -24.796 13.636 8.787 1.00 5.43 H new ATOM 0 HB2 HIS A 102 -22.573 12.113 10.119 1.00 13.21 H new ATOM 0 HB3 HIS A 102 -23.001 13.682 10.772 1.00 13.21 H new ATOM 0 HD2 HIS A 102 -26.242 12.224 9.596 1.00 20.04 H new ATOM 0 HE1 HIS A 102 -25.803 10.830 13.580 1.00 74.13 H new ATOM 0 HE2 HIS A 102 -27.420 11.098 11.631 1.00 34.21 H new ATOM 1729 N MET A 103 -21.625 14.246 8.080 1.00 4.41 N ATOM 1730 CA MET A 103 -20.693 15.299 7.693 1.00 2.54 C ATOM 1731 C MET A 103 -21.205 16.058 6.473 1.00 33.30 C ATOM 1732 O MET A 103 -21.159 17.287 6.431 1.00 42.45 O ATOM 1733 CB MET A 103 -19.314 14.707 7.398 1.00 62.40 C ATOM 1734 CG MET A 103 -18.578 14.230 8.640 1.00 13.10 C ATOM 1735 SD MET A 103 -18.123 15.584 9.740 1.00 14.22 S ATOM 1736 CE MET A 103 -16.475 15.083 10.230 1.00 10.21 C ATOM 0 H MET A 103 -21.227 13.307 8.074 1.00 4.41 H new ATOM 0 HA MET A 103 -20.609 15.998 8.525 1.00 2.54 H new ATOM 0 HB2 MET A 103 -19.427 13.870 6.709 1.00 62.40 H new ATOM 0 HB3 MET A 103 -18.707 15.457 6.892 1.00 62.40 H new ATOM 0 HG2 MET A 103 -19.207 13.523 9.181 1.00 13.10 H new ATOM 0 HG3 MET A 103 -17.678 13.692 8.341 1.00 13.10 H new ATOM 0 HE1 MET A 103 -15.965 15.922 10.704 1.00 10.21 H new ATOM 0 HE2 MET A 103 -16.541 14.254 10.935 1.00 10.21 H new ATOM 0 HE3 MET A 103 -15.914 14.768 9.350 1.00 10.21 H new ATOM 1746 N ILE A 104 -21.693 15.317 5.484 1.00 62.14 N ATOM 1747 CA ILE A 104 -22.214 15.920 4.264 1.00 53.34 C ATOM 1748 C ILE A 104 -23.589 16.537 4.499 1.00 2.13 C ATOM 1749 O ILE A 104 -23.999 17.455 3.789 1.00 3.11 O ATOM 1750 CB ILE A 104 -22.315 14.889 3.124 1.00 13.11 C ATOM 1751 CG1 ILE A 104 -23.346 13.813 3.471 1.00 53.03 C ATOM 1752 CG2 ILE A 104 -20.956 14.261 2.856 1.00 2.11 C ATOM 1753 CD1 ILE A 104 -23.506 12.761 2.396 1.00 61.40 C ATOM 0 H ILE A 104 -21.738 14.298 5.504 1.00 62.14 H new ATOM 0 HA ILE A 104 -21.512 16.702 3.975 1.00 53.34 H new ATOM 0 HB ILE A 104 -22.642 15.401 2.219 1.00 13.11 H new ATOM 0 HG12 ILE A 104 -23.054 13.328 4.402 1.00 53.03 H new ATOM 0 HG13 ILE A 104 -24.310 14.289 3.649 1.00 53.03 H new ATOM 0 HG21 ILE A 104 -21.044 13.535 2.048 1.00 2.11 H new ATOM 0 HG22 ILE A 104 -20.246 15.037 2.570 1.00 2.11 H new ATOM 0 HG23 ILE A 104 -20.603 13.760 3.757 1.00 2.11 H new ATOM 0 HD11 ILE A 104 -24.252 12.031 2.710 1.00 61.40 H new ATOM 0 HD12 ILE A 104 -23.829 13.234 1.469 1.00 61.40 H new ATOM 0 HD13 ILE A 104 -22.552 12.258 2.234 1.00 61.40 H new ATOM 1765 N SER A 105 -24.296 16.027 5.503 1.00 41.23 N ATOM 1766 CA SER A 105 -25.626 16.526 5.832 1.00 41.53 C ATOM 1767 C SER A 105 -25.569 17.996 6.239 1.00 73.22 C ATOM 1768 O SER A 105 -26.492 18.762 5.965 1.00 54.02 O ATOM 1769 CB SER A 105 -26.241 15.696 6.960 1.00 3.21 C ATOM 1770 OG SER A 105 -26.971 16.516 7.857 1.00 63.43 O ATOM 0 H SER A 105 -23.970 15.269 6.102 1.00 41.23 H new ATOM 0 HA SER A 105 -26.251 16.437 4.943 1.00 41.53 H new ATOM 0 HB2 SER A 105 -26.899 14.936 6.539 1.00 3.21 H new ATOM 0 HB3 SER A 105 -25.453 15.171 7.501 1.00 3.21 H new ATOM 0 HG SER A 105 -27.355 15.962 8.568 1.00 63.43 H new ATOM 1776 N GLN A 106 -24.479 18.380 6.894 1.00 21.05 N ATOM 1777 CA GLN A 106 -24.302 19.757 7.340 1.00 23.13 C ATOM 1778 C GLN A 106 -24.434 20.729 6.172 1.00 32.43 C ATOM 1779 O GLN A 106 -25.001 21.811 6.315 1.00 12.24 O ATOM 1780 CB GLN A 106 -22.936 19.927 8.008 1.00 12.23 C ATOM 1781 CG GLN A 106 -22.946 19.625 9.498 1.00 2.12 C ATOM 1782 CD GLN A 106 -21.967 20.484 10.274 1.00 13.32 C ATOM 1783 OE1 GLN A 106 -22.021 21.713 10.217 1.00 50.23 O ATOM 1784 NE2 GLN A 106 -21.065 19.841 11.006 1.00 35.14 N ATOM 0 H GLN A 106 -23.705 17.758 7.128 1.00 21.05 H new ATOM 0 HA GLN A 106 -25.084 19.981 8.065 1.00 23.13 H new ATOM 0 HB2 GLN A 106 -22.217 19.271 7.518 1.00 12.23 H new ATOM 0 HB3 GLN A 106 -22.591 20.950 7.855 1.00 12.23 H new ATOM 0 HG2 GLN A 106 -23.951 19.782 9.890 1.00 2.12 H new ATOM 0 HG3 GLN A 106 -22.704 18.574 9.653 1.00 2.12 H new ATOM 0 HE21 GLN A 106 -21.056 18.821 11.024 1.00 35.14 H new ATOM 0 HE22 GLN A 106 -20.381 20.367 11.550 1.00 35.14 H new ATOM 1793 N GLU A 107 -23.907 20.334 5.018 1.00 61.24 N ATOM 1794 CA GLU A 107 -23.966 21.172 3.826 1.00 60.45 C ATOM 1795 C GLU A 107 -24.889 20.560 2.776 1.00 62.54 C ATOM 1796 O GLU A 107 -24.769 20.846 1.585 1.00 1.12 O ATOM 1797 CB GLU A 107 -22.565 21.363 3.240 1.00 54.21 C ATOM 1798 CG GLU A 107 -22.329 22.751 2.668 1.00 13.14 C ATOM 1799 CD GLU A 107 -21.942 22.720 1.203 1.00 43.42 C ATOM 1800 OE1 GLU A 107 -20.809 22.293 0.897 1.00 72.32 O ATOM 1801 OE2 GLU A 107 -22.772 23.124 0.362 1.00 41.24 O ATOM 0 H GLU A 107 -23.435 19.440 4.883 1.00 61.24 H new ATOM 0 HA GLU A 107 -24.367 22.143 4.115 1.00 60.45 H new ATOM 0 HB2 GLU A 107 -21.826 21.169 4.017 1.00 54.21 H new ATOM 0 HB3 GLU A 107 -22.405 20.624 2.455 1.00 54.21 H new ATOM 0 HG2 GLU A 107 -23.233 23.348 2.789 1.00 13.14 H new ATOM 0 HG3 GLU A 107 -21.542 23.246 3.237 1.00 13.14 H new ATOM 1808 N GLY A 108 -25.810 19.714 3.227 1.00 73.33 N ATOM 1809 CA GLY A 108 -26.740 19.074 2.314 1.00 23.54 C ATOM 1810 C GLY A 108 -27.735 18.183 3.031 1.00 14.21 C ATOM 1811 O GLY A 108 -27.873 17.004 2.703 1.00 45.43 O ATOM 0 H GLY A 108 -25.929 19.460 4.208 1.00 73.33 H new ATOM 0 HA2 GLY A 108 -27.279 19.838 1.754 1.00 23.54 H new ATOM 0 HA3 GLY A 108 -26.183 18.481 1.589 1.00 23.54 H new ATOM 1815 N ILE A 109 -28.430 18.747 4.013 1.00 34.34 N ATOM 1816 CA ILE A 109 -29.418 17.995 4.779 1.00 44.34 C ATOM 1817 C ILE A 109 -30.474 17.385 3.864 1.00 65.55 C ATOM 1818 O ILE A 109 -31.107 16.386 4.207 1.00 2.22 O ATOM 1819 CB ILE A 109 -30.114 18.885 5.826 1.00 71.54 C ATOM 1820 CG1 ILE A 109 -30.591 20.189 5.183 1.00 72.51 C ATOM 1821 CG2 ILE A 109 -29.173 19.173 6.986 1.00 71.32 C ATOM 1822 CD1 ILE A 109 -31.681 20.885 5.967 1.00 52.10 C ATOM 0 H ILE A 109 -28.328 19.721 4.297 1.00 34.34 H new ATOM 0 HA ILE A 109 -28.880 17.197 5.292 1.00 44.34 H new ATOM 0 HB ILE A 109 -30.984 18.354 6.213 1.00 71.54 H new ATOM 0 HG12 ILE A 109 -29.742 20.865 5.078 1.00 72.51 H new ATOM 0 HG13 ILE A 109 -30.956 19.977 4.178 1.00 72.51 H new ATOM 0 HG21 ILE A 109 -29.679 19.803 7.717 1.00 71.32 H new ATOM 0 HG22 ILE A 109 -28.878 18.235 7.457 1.00 71.32 H new ATOM 0 HG23 ILE A 109 -28.286 19.688 6.616 1.00 71.32 H new ATOM 0 HD11 ILE A 109 -31.970 21.802 5.453 1.00 52.10 H new ATOM 0 HD12 ILE A 109 -32.546 20.227 6.050 1.00 52.10 H new ATOM 0 HD13 ILE A 109 -31.313 21.129 6.964 1.00 52.10 H new ATOM 1834 N LYS A 110 -30.658 17.990 2.695 1.00 25.31 N ATOM 1835 CA LYS A 110 -31.634 17.505 1.727 1.00 33.11 C ATOM 1836 C LYS A 110 -31.350 16.055 1.347 1.00 12.20 C ATOM 1837 O LYS A 110 -32.253 15.322 0.946 1.00 30.52 O ATOM 1838 CB LYS A 110 -31.621 18.384 0.474 1.00 20.34 C ATOM 1839 CG LYS A 110 -32.181 19.777 0.703 1.00 74.13 C ATOM 1840 CD LYS A 110 -33.635 19.728 1.144 1.00 64.11 C ATOM 1841 CE LYS A 110 -34.346 21.044 0.867 1.00 23.33 C ATOM 1842 NZ LYS A 110 -35.409 20.893 -0.164 1.00 51.23 N ATOM 0 H LYS A 110 -30.143 18.818 2.395 1.00 25.31 H new ATOM 0 HA LYS A 110 -32.621 17.555 2.188 1.00 33.11 H new ATOM 0 HB2 LYS A 110 -30.597 18.468 0.110 1.00 20.34 H new ATOM 0 HB3 LYS A 110 -32.198 17.894 -0.310 1.00 20.34 H new ATOM 0 HG2 LYS A 110 -31.587 20.289 1.460 1.00 74.13 H new ATOM 0 HG3 LYS A 110 -32.098 20.359 -0.215 1.00 74.13 H new ATOM 0 HD2 LYS A 110 -34.147 18.920 0.623 1.00 64.11 H new ATOM 0 HD3 LYS A 110 -33.686 19.503 2.209 1.00 64.11 H new ATOM 0 HE2 LYS A 110 -34.786 21.420 1.790 1.00 23.33 H new ATOM 0 HE3 LYS A 110 -33.620 21.786 0.534 1.00 23.33 H new ATOM 0 HZ1 LYS A 110 -35.870 21.811 -0.325 1.00 51.23 H new ATOM 0 HZ2 LYS A 110 -34.985 20.558 -1.053 1.00 51.23 H new ATOM 0 HZ3 LYS A 110 -36.115 20.204 0.164 1.00 51.23 H new ATOM 1856 N GLU A 111 -30.091 15.650 1.477 1.00 21.23 N ATOM 1857 CA GLU A 111 -29.690 14.287 1.148 1.00 41.14 C ATOM 1858 C GLU A 111 -30.136 13.311 2.232 1.00 13.13 C ATOM 1859 O GLU A 111 -30.326 12.122 1.975 1.00 60.24 O ATOM 1860 CB GLU A 111 -28.172 14.208 0.968 1.00 74.21 C ATOM 1861 CG GLU A 111 -27.654 12.791 0.790 1.00 61.32 C ATOM 1862 CD GLU A 111 -27.338 12.115 2.110 1.00 61.10 C ATOM 1863 OE1 GLU A 111 -26.753 12.780 2.991 1.00 60.51 O ATOM 1864 OE2 GLU A 111 -27.675 10.922 2.262 1.00 1.33 O ATOM 0 H GLU A 111 -29.332 16.245 1.807 1.00 21.23 H new ATOM 0 HA GLU A 111 -30.175 14.009 0.212 1.00 41.14 H new ATOM 0 HB2 GLU A 111 -27.886 14.802 0.100 1.00 74.21 H new ATOM 0 HB3 GLU A 111 -27.688 14.657 1.835 1.00 74.21 H new ATOM 0 HG2 GLU A 111 -28.397 12.201 0.253 1.00 61.32 H new ATOM 0 HG3 GLU A 111 -26.756 12.811 0.172 1.00 61.32 H new ATOM 1871 N THR A 112 -30.302 13.822 3.448 1.00 11.24 N ATOM 1872 CA THR A 112 -30.724 12.997 4.573 1.00 11.12 C ATOM 1873 C THR A 112 -32.096 12.382 4.320 1.00 0.51 C ATOM 1874 O THR A 112 -32.292 11.183 4.510 1.00 74.42 O ATOM 1875 CB THR A 112 -30.772 13.811 5.880 1.00 11.01 C ATOM 1876 OG1 THR A 112 -29.575 14.584 6.020 1.00 1.00 O ATOM 1877 CG2 THR A 112 -30.933 12.894 7.083 1.00 32.01 C ATOM 0 H THR A 112 -30.150 14.804 3.679 1.00 11.24 H new ATOM 0 HA THR A 112 -29.986 12.202 4.676 1.00 11.12 H new ATOM 0 HB THR A 112 -31.632 14.479 5.835 1.00 11.01 H new ATOM 0 HG1 THR A 112 -29.614 15.100 6.852 1.00 1.00 H new ATOM 0 HG21 THR A 112 -30.964 13.491 7.994 1.00 32.01 H new ATOM 0 HG22 THR A 112 -31.860 12.328 6.988 1.00 32.01 H new ATOM 0 HG23 THR A 112 -30.090 12.204 7.130 1.00 32.01 H new ATOM 1885 N GLN A 113 -33.041 13.212 3.890 1.00 1.43 N ATOM 1886 CA GLN A 113 -34.395 12.749 3.611 1.00 21.23 C ATOM 1887 C GLN A 113 -34.412 11.808 2.411 1.00 43.21 C ATOM 1888 O GLN A 113 -35.328 11.002 2.255 1.00 62.50 O ATOM 1889 CB GLN A 113 -35.321 13.939 3.355 1.00 74.32 C ATOM 1890 CG GLN A 113 -35.668 14.722 4.611 1.00 63.22 C ATOM 1891 CD GLN A 113 -37.092 15.240 4.601 1.00 13.21 C ATOM 1892 OE1 GLN A 113 -38.026 14.516 4.254 1.00 12.34 O ATOM 1893 NE2 GLN A 113 -37.267 16.500 4.983 1.00 62.11 N ATOM 0 H GLN A 113 -32.894 14.208 3.727 1.00 1.43 H new ATOM 0 HA GLN A 113 -34.752 12.202 4.483 1.00 21.23 H new ATOM 0 HB2 GLN A 113 -34.847 14.610 2.638 1.00 74.32 H new ATOM 0 HB3 GLN A 113 -36.242 13.580 2.895 1.00 74.32 H new ATOM 0 HG2 GLN A 113 -35.523 14.085 5.483 1.00 63.22 H new ATOM 0 HG3 GLN A 113 -34.981 15.562 4.712 1.00 63.22 H new ATOM 0 HE21 GLN A 113 -36.465 17.064 5.263 1.00 62.11 H new ATOM 0 HE22 GLN A 113 -38.204 16.903 4.997 1.00 62.11 H new ATOM 1902 N ALA A 114 -33.393 11.918 1.565 1.00 5.10 N ATOM 1903 CA ALA A 114 -33.290 11.076 0.380 1.00 44.25 C ATOM 1904 C ALA A 114 -32.980 9.632 0.757 1.00 34.43 C ATOM 1905 O ALA A 114 -33.341 8.700 0.038 1.00 61.22 O ATOM 1906 CB ALA A 114 -32.223 11.618 -0.561 1.00 73.42 C ATOM 0 H ALA A 114 -32.627 12.582 1.678 1.00 5.10 H new ATOM 0 HA ALA A 114 -34.253 11.092 -0.131 1.00 44.25 H new ATOM 0 HB1 ALA A 114 -32.157 10.980 -1.442 1.00 73.42 H new ATOM 0 HB2 ALA A 114 -32.487 12.631 -0.866 1.00 73.42 H new ATOM 0 HB3 ALA A 114 -31.260 11.632 -0.050 1.00 73.42 H new ATOM 1912 N LYS A 115 -32.310 9.452 1.890 1.00 23.31 N ATOM 1913 CA LYS A 115 -31.952 8.120 2.365 1.00 42.42 C ATOM 1914 C LYS A 115 -31.915 8.078 3.889 1.00 33.21 C ATOM 1915 O LYS A 115 -31.175 8.830 4.523 1.00 52.32 O ATOM 1916 CB LYS A 115 -30.592 7.703 1.800 1.00 50.53 C ATOM 1917 CG LYS A 115 -30.567 7.606 0.284 1.00 33.32 C ATOM 1918 CD LYS A 115 -29.378 6.795 -0.203 1.00 41.20 C ATOM 1919 CE LYS A 115 -29.249 6.849 -1.718 1.00 14.34 C ATOM 1920 NZ LYS A 115 -28.086 7.674 -2.146 1.00 61.14 N ATOM 0 H LYS A 115 -32.004 10.212 2.497 1.00 23.31 H new ATOM 0 HA LYS A 115 -32.713 7.421 2.018 1.00 42.42 H new ATOM 0 HB2 LYS A 115 -29.838 8.422 2.122 1.00 50.53 H new ATOM 0 HB3 LYS A 115 -30.313 6.738 2.222 1.00 50.53 H new ATOM 0 HG2 LYS A 115 -31.491 7.146 -0.067 1.00 33.32 H new ATOM 0 HG3 LYS A 115 -30.526 8.607 -0.145 1.00 33.32 H new ATOM 0 HD2 LYS A 115 -28.465 7.175 0.255 1.00 41.20 H new ATOM 0 HD3 LYS A 115 -29.487 5.759 0.117 1.00 41.20 H new ATOM 0 HE2 LYS A 115 -29.141 5.838 -2.110 1.00 14.34 H new ATOM 0 HE3 LYS A 115 -30.163 7.260 -2.146 1.00 14.34 H new ATOM 0 HZ1 LYS A 115 -28.032 7.686 -3.185 1.00 61.14 H new ATOM 0 HZ2 LYS A 115 -28.201 8.646 -1.794 1.00 61.14 H new ATOM 0 HZ3 LYS A 115 -27.211 7.267 -1.759 1.00 61.14 H new ATOM 1934 N ARG A 116 -32.718 7.192 4.471 1.00 5.41 N ATOM 1935 CA ARG A 116 -32.776 7.052 5.921 1.00 32.01 C ATOM 1936 C ARG A 116 -33.224 5.647 6.314 1.00 52.14 C ATOM 1937 O ARG A 116 -32.899 4.670 5.639 1.00 53.25 O ATOM 1938 CB ARG A 116 -33.731 8.088 6.517 1.00 42.31 C ATOM 1939 CG ARG A 116 -34.018 7.873 7.994 1.00 54.32 C ATOM 1940 CD ARG A 116 -35.393 7.261 8.210 1.00 34.12 C ATOM 1941 NE ARG A 116 -36.297 8.175 8.904 1.00 24.02 N ATOM 1942 CZ ARG A 116 -37.491 7.820 9.364 1.00 31.31 C ATOM 1943 NH1 ARG A 116 -37.924 6.577 9.205 1.00 64.52 N ATOM 1944 NH2 ARG A 116 -38.256 8.709 9.985 1.00 24.23 N ATOM 0 H ARG A 116 -33.336 6.561 3.961 1.00 5.41 H new ATOM 0 HA ARG A 116 -31.775 7.220 6.317 1.00 32.01 H new ATOM 0 HB2 ARG A 116 -33.307 9.083 6.379 1.00 42.31 H new ATOM 0 HB3 ARG A 116 -34.671 8.063 5.966 1.00 42.31 H new ATOM 0 HG2 ARG A 116 -33.257 7.221 8.423 1.00 54.32 H new ATOM 0 HG3 ARG A 116 -33.955 8.825 8.521 1.00 54.32 H new ATOM 0 HD2 ARG A 116 -35.823 6.988 7.247 1.00 34.12 H new ATOM 0 HD3 ARG A 116 -35.294 6.342 8.787 1.00 34.12 H new ATOM 0 HE ARG A 116 -35.994 9.139 9.043 1.00 24.02 H new ATOM 0 HH11 ARG A 116 -37.339 5.890 8.728 1.00 64.52 H new ATOM 0 HH12 ARG A 116 -38.842 6.307 9.559 1.00 64.52 H new ATOM 0 HH21 ARG A 116 -37.927 9.666 10.109 1.00 24.23 H new ATOM 0 HH22 ARG A 116 -39.173 8.435 10.338 1.00 24.23 H new TER 1958 ARG A 116