USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 928 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 14 TYR OH : rot 15:sc= 1.69 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -155:sc= 1.26 (180deg=0) USER MOD Set 1.3: A 83 SER OG : rot 132:sc= 0.586 USER MOD Set 2.1: A 74 GLN : amide:sc= 0.259 K(o=0.56,f=-1.5) USER MOD Set 2.2: A 78 SER OG : rot 95:sc= 0.305 USER MOD Set 3.1: A 36 THR OG1 : rot 180:sc= 0.877 USER MOD Set 3.2: A 50 THR OG1 : rot -89:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.116 (180deg=-0.546) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0.594 (180deg=0.531) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.804 K(o=-0.8,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 177:sc= -2.54! (180deg=-2.55!) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.419 F(o=-1.1,f=-0.42) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= -0.018 (180deg=-0.176) USER MOD Single : A 31 ASN : amide:sc= -0.077 K(o=-0.077,f=-5.6!) USER MOD Single : A 34 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.0062) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 105:sc= 0.0307 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 54 THR OG1 : rot 153:sc= -0.211 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -0.0514 (180deg=-0.226) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00627 (180deg=-0.0993) USER MOD Single : A 58 ASN : amide:sc= -0.057 K(o=-0.057,f=-1.9!) USER MOD Single : A 60 HIS : no HE2:sc= 0.53 K(o=0.53,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0.441 (180deg=0.213) USER MOD Single : A 63 ASN : amide:sc= -0.0545 K(o=-0.054,f=-3.5!) USER MOD Single : A 64 LYS NZ :NH3+ -112:sc= 0.0167 (180deg=-0.073) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.644 USER MOD Single : A 77 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.36) USER MOD Single : A 79 LYS NZ :NH3+ -148:sc= -1.16 (180deg=-3.05!) USER MOD Single : A 80 ASN : amide:sc= -0.3 K(o=-0.3,f=-1) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot -110:sc= -0.576 USER MOD Single : A 94 GLN : amide:sc= -0.722 K(o=-0.72,f=-1.7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= 1.36 (180deg=-0.524) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -32:sc= 0.513 USER MOD Single : A 109 LYS NZ :NH3+ -176:sc= -1.41 (180deg=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.066 -17.185 1.615 1.00 33.43 N ATOM 2 CA MET A 1 10.654 -17.495 1.239 1.00 71.14 C ATOM 3 C MET A 1 9.981 -18.383 2.303 1.00 30.45 C ATOM 4 O MET A 1 9.096 -19.180 1.997 1.00 34.12 O ATOM 5 CB MET A 1 10.612 -18.194 -0.131 1.00 13.51 C ATOM 6 CG MET A 1 11.125 -17.338 -1.288 1.00 63.14 C ATOM 7 SD MET A 1 10.967 -18.159 -2.891 1.00 11.15 S ATOM 8 CE MET A 1 11.983 -19.616 -2.641 1.00 42.52 C ATOM 0 H1 MET A 1 12.459 -16.492 0.947 1.00 33.43 H new ATOM 0 H2 MET A 1 12.090 -16.791 2.577 1.00 33.43 H new ATOM 0 H3 MET A 1 12.633 -18.056 1.584 1.00 33.43 H new ATOM 0 HA MET A 1 10.105 -16.555 1.180 1.00 71.14 H new ATOM 0 HB2 MET A 1 11.205 -19.107 -0.079 1.00 13.51 H new ATOM 0 HB3 MET A 1 9.585 -18.493 -0.342 1.00 13.51 H new ATOM 0 HG2 MET A 1 10.574 -16.398 -1.311 1.00 63.14 H new ATOM 0 HG3 MET A 1 12.172 -17.090 -1.114 1.00 63.14 H new ATOM 0 HE1 MET A 1 12.216 -20.067 -3.606 1.00 42.52 H new ATOM 0 HE2 MET A 1 12.909 -19.333 -2.140 1.00 42.52 H new ATOM 0 HE3 MET A 1 11.443 -20.335 -2.025 1.00 42.52 H new ATOM 20 N GLU A 2 10.379 -18.206 3.558 1.00 24.14 N ATOM 21 CA GLU A 2 9.917 -19.060 4.657 1.00 73.52 C ATOM 22 C GLU A 2 8.990 -18.300 5.617 1.00 22.05 C ATOM 23 O GLU A 2 8.512 -17.208 5.306 1.00 42.54 O ATOM 24 CB GLU A 2 11.121 -19.640 5.428 1.00 21.12 C ATOM 25 CG GLU A 2 12.118 -18.599 5.950 1.00 45.15 C ATOM 26 CD GLU A 2 13.005 -18.019 4.857 1.00 72.14 C ATOM 27 OE1 GLU A 2 13.995 -18.677 4.476 1.00 23.04 O ATOM 28 OE2 GLU A 2 12.696 -16.921 4.347 1.00 12.41 O ATOM 0 H GLU A 2 11.027 -17.473 3.846 1.00 24.14 H new ATOM 0 HA GLU A 2 9.344 -19.877 4.219 1.00 73.52 H new ATOM 0 HB2 GLU A 2 10.748 -20.219 6.273 1.00 21.12 H new ATOM 0 HB3 GLU A 2 11.651 -20.334 4.775 1.00 21.12 H new ATOM 0 HG2 GLU A 2 11.570 -17.790 6.432 1.00 45.15 H new ATOM 0 HG3 GLU A 2 12.746 -19.058 6.714 1.00 45.15 H new ATOM 35 N ARG A 3 8.730 -18.900 6.776 1.00 2.32 N ATOM 36 CA ARG A 3 7.847 -18.313 7.787 1.00 43.22 C ATOM 37 C ARG A 3 8.180 -18.852 9.188 1.00 24.12 C ATOM 38 O ARG A 3 8.744 -19.939 9.328 1.00 13.41 O ATOM 39 CB ARG A 3 6.380 -18.607 7.430 1.00 4.51 C ATOM 40 CG ARG A 3 6.114 -20.074 7.102 1.00 71.23 C ATOM 41 CD ARG A 3 4.697 -20.301 6.585 1.00 74.21 C ATOM 42 NE ARG A 3 4.550 -21.627 5.982 1.00 12.14 N ATOM 43 CZ ARG A 3 3.632 -21.945 5.107 1.00 72.34 C ATOM 44 NH1 ARG A 3 2.742 -21.080 4.738 1.00 55.33 N ATOM 45 NH2 ARG A 3 3.608 -23.138 4.604 1.00 64.14 N ATOM 0 H ARG A 3 9.122 -19.803 7.042 1.00 2.32 H new ATOM 0 HA ARG A 3 8.001 -17.234 7.800 1.00 43.22 H new ATOM 0 HB2 ARG A 3 5.745 -18.309 8.264 1.00 4.51 H new ATOM 0 HB3 ARG A 3 6.093 -17.994 6.576 1.00 4.51 H new ATOM 0 HG2 ARG A 3 6.831 -20.413 6.354 1.00 71.23 H new ATOM 0 HG3 ARG A 3 6.275 -20.679 7.994 1.00 71.23 H new ATOM 0 HD2 ARG A 3 3.988 -20.193 7.406 1.00 74.21 H new ATOM 0 HD3 ARG A 3 4.451 -19.536 5.848 1.00 74.21 H new ATOM 0 HE ARG A 3 5.209 -22.353 6.264 1.00 12.14 H new ATOM 0 HH11 ARG A 3 2.752 -20.139 5.131 1.00 55.33 H new ATOM 0 HH12 ARG A 3 2.031 -21.340 4.055 1.00 55.33 H new ATOM 0 HH21 ARG A 3 4.304 -23.826 4.891 1.00 64.14 H new ATOM 0 HH22 ARG A 3 2.893 -23.389 3.921 1.00 64.14 H new ATOM 59 N ALA A 4 7.829 -18.088 10.218 1.00 0.43 N ATOM 60 CA ALA A 4 8.117 -18.469 11.607 1.00 63.43 C ATOM 61 C ALA A 4 7.087 -19.470 12.154 1.00 23.34 C ATOM 62 O ALA A 4 7.426 -20.370 12.924 1.00 2.34 O ATOM 63 CB ALA A 4 8.162 -17.229 12.494 1.00 30.52 C ATOM 0 H ALA A 4 7.342 -17.197 10.122 1.00 0.43 H new ATOM 0 HA ALA A 4 9.091 -18.959 11.617 1.00 63.43 H new ATOM 0 HB1 ALA A 4 8.376 -17.524 13.521 1.00 30.52 H new ATOM 0 HB2 ALA A 4 8.943 -16.556 12.139 1.00 30.52 H new ATOM 0 HB3 ALA A 4 7.199 -16.719 12.456 1.00 30.52 H new ATOM 69 N SER A 5 5.827 -19.301 11.761 1.00 21.13 N ATOM 70 CA SER A 5 4.737 -20.173 12.224 1.00 51.33 C ATOM 71 C SER A 5 4.313 -21.178 11.145 1.00 50.11 C ATOM 72 O SER A 5 4.541 -20.968 9.954 1.00 53.23 O ATOM 73 CB SER A 5 3.530 -19.331 12.659 1.00 4.51 C ATOM 74 OG SER A 5 3.845 -18.534 13.794 1.00 53.13 O ATOM 0 H SER A 5 5.529 -18.566 11.120 1.00 21.13 H new ATOM 0 HA SER A 5 5.111 -20.738 13.078 1.00 51.33 H new ATOM 0 HB2 SER A 5 3.215 -18.689 11.836 1.00 4.51 H new ATOM 0 HB3 SER A 5 2.691 -19.986 12.892 1.00 4.51 H new ATOM 0 HG SER A 5 3.061 -18.006 14.051 1.00 53.13 H new ATOM 80 N LEU A 6 3.683 -22.270 11.573 1.00 33.23 N ATOM 81 CA LEU A 6 3.283 -23.345 10.654 1.00 2.23 C ATOM 82 C LEU A 6 1.941 -23.056 9.962 1.00 43.52 C ATOM 83 O LEU A 6 1.660 -23.603 8.894 1.00 52.33 O ATOM 84 CB LEU A 6 3.206 -24.681 11.407 1.00 12.33 C ATOM 85 CG LEU A 6 4.528 -25.162 12.034 1.00 65.24 C ATOM 86 CD1 LEU A 6 4.329 -26.483 12.777 1.00 61.13 C ATOM 87 CD2 LEU A 6 5.618 -25.295 10.968 1.00 24.45 C ATOM 0 H LEU A 6 3.437 -22.438 12.548 1.00 33.23 H new ATOM 0 HA LEU A 6 4.044 -23.403 9.876 1.00 2.23 H new ATOM 0 HB2 LEU A 6 2.460 -24.591 12.197 1.00 12.33 H new ATOM 0 HB3 LEU A 6 2.850 -25.447 10.718 1.00 12.33 H new ATOM 0 HG LEU A 6 4.852 -24.414 12.757 1.00 65.24 H new ATOM 0 HD11 LEU A 6 5.276 -26.803 13.211 1.00 61.13 H new ATOM 0 HD12 LEU A 6 3.594 -26.347 13.570 1.00 61.13 H new ATOM 0 HD13 LEU A 6 3.975 -27.243 12.080 1.00 61.13 H new ATOM 0 HD21 LEU A 6 6.543 -25.636 11.434 1.00 24.45 H new ATOM 0 HD22 LEU A 6 5.304 -26.017 10.214 1.00 24.45 H new ATOM 0 HD23 LEU A 6 5.785 -24.327 10.496 1.00 24.45 H new ATOM 99 N ASN A 7 1.108 -22.217 10.574 1.00 13.23 N ATOM 100 CA ASN A 7 -0.213 -21.886 10.017 1.00 21.05 C ATOM 101 C ASN A 7 -0.114 -21.171 8.651 1.00 74.23 C ATOM 102 O ASN A 7 0.648 -20.216 8.480 1.00 2.31 O ATOM 103 CB ASN A 7 -1.023 -21.040 11.011 1.00 74.41 C ATOM 104 CG ASN A 7 -0.246 -19.850 11.544 1.00 43.14 C ATOM 105 OD1 ASN A 7 0.426 -19.943 12.565 1.00 63.32 O ATOM 106 ND2 ASN A 7 -0.331 -18.726 10.864 1.00 40.13 N ATOM 0 H ASN A 7 1.319 -21.751 11.456 1.00 13.23 H new ATOM 0 HA ASN A 7 -0.733 -22.829 9.848 1.00 21.05 H new ATOM 0 HB2 ASN A 7 -1.931 -20.686 10.523 1.00 74.41 H new ATOM 0 HB3 ASN A 7 -1.334 -21.668 11.846 1.00 74.41 H new ATOM 0 HD21 ASN A 7 0.172 -17.898 11.183 1.00 40.13 H new ATOM 0 HD22 ASN A 7 -0.899 -18.683 10.018 1.00 40.13 H new ATOM 113 N ARG A 8 -0.907 -21.644 7.687 1.00 14.42 N ATOM 114 CA ARG A 8 -0.892 -21.112 6.314 1.00 74.23 C ATOM 115 C ARG A 8 -1.901 -19.962 6.124 1.00 31.22 C ATOM 116 O ARG A 8 -1.797 -19.191 5.168 1.00 24.34 O ATOM 117 CB ARG A 8 -1.205 -22.231 5.300 1.00 31.13 C ATOM 118 CG ARG A 8 -0.121 -23.304 5.160 1.00 52.03 C ATOM 119 CD ARG A 8 0.043 -24.141 6.426 1.00 23.25 C ATOM 120 NE ARG A 8 -1.188 -24.836 6.806 1.00 11.41 N ATOM 121 CZ ARG A 8 -1.437 -25.298 8.007 1.00 41.42 C ATOM 122 NH1 ARG A 8 -0.584 -25.138 8.967 1.00 4.04 N ATOM 123 NH2 ARG A 8 -2.546 -25.914 8.248 1.00 11.31 N ATOM 0 H ARG A 8 -1.575 -22.401 7.830 1.00 14.42 H new ATOM 0 HA ARG A 8 0.109 -20.719 6.139 1.00 74.23 H new ATOM 0 HB2 ARG A 8 -2.137 -22.714 5.592 1.00 31.13 H new ATOM 0 HB3 ARG A 8 -1.374 -21.778 4.323 1.00 31.13 H new ATOM 0 HG2 ARG A 8 -0.369 -23.959 4.325 1.00 52.03 H new ATOM 0 HG3 ARG A 8 0.829 -22.827 4.919 1.00 52.03 H new ATOM 0 HD2 ARG A 8 0.836 -24.873 6.273 1.00 23.25 H new ATOM 0 HD3 ARG A 8 0.359 -23.495 7.245 1.00 23.25 H new ATOM 0 HE ARG A 8 -1.900 -24.970 6.088 1.00 11.41 H new ATOM 0 HH11 ARG A 8 0.293 -24.648 8.793 1.00 4.04 H new ATOM 0 HH12 ARG A 8 -0.789 -25.502 9.897 1.00 4.04 H new ATOM 0 HH21 ARG A 8 -3.231 -26.042 7.503 1.00 11.31 H new ATOM 0 HH22 ARG A 8 -2.737 -26.273 9.184 1.00 11.31 H new ATOM 137 N ILE A 9 -2.878 -19.863 7.028 1.00 52.41 N ATOM 138 CA ILE A 9 -3.944 -18.850 6.931 1.00 3.42 C ATOM 139 C ILE A 9 -3.387 -17.418 6.769 1.00 71.11 C ATOM 140 O ILE A 9 -2.554 -16.964 7.559 1.00 75.32 O ATOM 141 CB ILE A 9 -4.877 -18.889 8.172 1.00 71.15 C ATOM 142 CG1 ILE A 9 -5.537 -20.273 8.313 1.00 71.43 C ATOM 143 CG2 ILE A 9 -5.943 -17.791 8.083 1.00 2.44 C ATOM 144 CD1 ILE A 9 -6.409 -20.416 9.545 1.00 21.24 C ATOM 0 H ILE A 9 -2.957 -20.473 7.841 1.00 52.41 H new ATOM 0 HA ILE A 9 -4.513 -19.102 6.036 1.00 3.42 H new ATOM 0 HB ILE A 9 -4.271 -18.707 9.059 1.00 71.15 H new ATOM 0 HG12 ILE A 9 -6.142 -20.468 7.427 1.00 71.43 H new ATOM 0 HG13 ILE A 9 -4.758 -21.035 8.341 1.00 71.43 H new ATOM 0 HG21 ILE A 9 -6.586 -17.836 8.962 1.00 2.44 H new ATOM 0 HG22 ILE A 9 -5.458 -16.816 8.038 1.00 2.44 H new ATOM 0 HG23 ILE A 9 -6.544 -17.939 7.186 1.00 2.44 H new ATOM 0 HD11 ILE A 9 -6.838 -21.418 9.573 1.00 21.24 H new ATOM 0 HD12 ILE A 9 -5.806 -20.254 10.438 1.00 21.24 H new ATOM 0 HD13 ILE A 9 -7.211 -19.679 9.511 1.00 21.24 H new ATOM 156 N GLY A 10 -3.869 -16.716 5.741 1.00 51.43 N ATOM 157 CA GLY A 10 -3.460 -15.335 5.501 1.00 72.52 C ATOM 158 C GLY A 10 -4.595 -14.473 4.955 1.00 31.11 C ATOM 159 O GLY A 10 -5.743 -14.917 4.895 1.00 51.23 O ATOM 0 H GLY A 10 -4.540 -17.081 5.065 1.00 51.43 H new ATOM 0 HA2 GLY A 10 -3.095 -14.901 6.432 1.00 72.52 H new ATOM 0 HA3 GLY A 10 -2.629 -15.323 4.796 1.00 72.52 H new ATOM 163 N LYS A 11 -4.274 -13.244 4.552 1.00 4.41 N ATOM 164 CA LYS A 11 -5.275 -12.303 4.023 1.00 24.54 C ATOM 165 C LYS A 11 -4.700 -11.457 2.877 1.00 42.14 C ATOM 166 O LYS A 11 -3.486 -11.413 2.673 1.00 32.31 O ATOM 167 CB LYS A 11 -5.772 -11.366 5.138 1.00 10.24 C ATOM 168 CG LYS A 11 -6.568 -12.054 6.246 1.00 14.25 C ATOM 169 CD LYS A 11 -6.976 -11.060 7.331 1.00 73.42 C ATOM 170 CE LYS A 11 -7.838 -11.707 8.408 1.00 41.12 C ATOM 171 NZ LYS A 11 -8.188 -10.747 9.489 1.00 71.11 N ATOM 0 H LYS A 11 -3.325 -12.870 4.580 1.00 4.41 H new ATOM 0 HA LYS A 11 -6.106 -12.894 3.639 1.00 24.54 H new ATOM 0 HB2 LYS A 11 -4.912 -10.867 5.584 1.00 10.24 H new ATOM 0 HB3 LYS A 11 -6.394 -10.590 4.691 1.00 10.24 H new ATOM 0 HG2 LYS A 11 -7.458 -12.520 5.823 1.00 14.25 H new ATOM 0 HG3 LYS A 11 -5.969 -12.852 6.686 1.00 14.25 H new ATOM 0 HD2 LYS A 11 -6.082 -10.637 7.789 1.00 73.42 H new ATOM 0 HD3 LYS A 11 -7.523 -10.234 6.877 1.00 73.42 H new ATOM 0 HE2 LYS A 11 -8.751 -12.095 7.957 1.00 41.12 H new ATOM 0 HE3 LYS A 11 -7.307 -12.558 8.836 1.00 41.12 H new ATOM 0 HZ1 LYS A 11 -8.775 -11.226 10.202 1.00 71.11 H new ATOM 0 HZ2 LYS A 11 -7.317 -10.396 9.936 1.00 71.11 H new ATOM 0 HZ3 LYS A 11 -8.717 -9.948 9.086 1.00 71.11 H new ATOM 185 N ASP A 12 -5.578 -10.770 2.149 1.00 21.22 N ATOM 186 CA ASP A 12 -5.167 -9.876 1.057 1.00 5.32 C ATOM 187 C ASP A 12 -4.841 -8.464 1.585 1.00 1.14 C ATOM 188 O ASP A 12 -5.191 -7.457 0.969 1.00 65.02 O ATOM 189 CB ASP A 12 -6.279 -9.802 0.002 1.00 74.31 C ATOM 190 CG ASP A 12 -6.580 -11.153 -0.626 1.00 2.44 C ATOM 191 OD1 ASP A 12 -7.411 -11.900 -0.067 1.00 62.43 O ATOM 192 OD2 ASP A 12 -5.986 -11.472 -1.680 1.00 20.13 O ATOM 0 H ASP A 12 -6.587 -10.813 2.294 1.00 21.22 H new ATOM 0 HA ASP A 12 -4.263 -10.281 0.603 1.00 5.32 H new ATOM 0 HB2 ASP A 12 -7.186 -9.409 0.462 1.00 74.31 H new ATOM 0 HB3 ASP A 12 -5.988 -9.099 -0.779 1.00 74.31 H new ATOM 197 N VAL A 13 -4.154 -8.399 2.722 1.00 43.42 N ATOM 198 CA VAL A 13 -3.781 -7.119 3.336 1.00 1.21 C ATOM 199 C VAL A 13 -2.415 -6.637 2.823 1.00 10.15 C ATOM 200 O VAL A 13 -1.438 -7.386 2.830 1.00 34.23 O ATOM 201 CB VAL A 13 -3.739 -7.225 4.881 1.00 40.34 C ATOM 202 CG1 VAL A 13 -3.344 -5.889 5.513 1.00 72.51 C ATOM 203 CG2 VAL A 13 -5.084 -7.704 5.427 1.00 35.04 C ATOM 0 H VAL A 13 -3.841 -9.219 3.242 1.00 43.42 H new ATOM 0 HA VAL A 13 -4.545 -6.395 3.053 1.00 1.21 H new ATOM 0 HB VAL A 13 -2.980 -7.960 5.147 1.00 40.34 H new ATOM 0 HG11 VAL A 13 -3.322 -5.992 6.598 1.00 72.51 H new ATOM 0 HG12 VAL A 13 -2.357 -5.596 5.157 1.00 72.51 H new ATOM 0 HG13 VAL A 13 -4.071 -5.126 5.235 1.00 72.51 H new ATOM 0 HG21 VAL A 13 -5.032 -7.771 6.514 1.00 35.04 H new ATOM 0 HG22 VAL A 13 -5.864 -6.997 5.144 1.00 35.04 H new ATOM 0 HG23 VAL A 13 -5.316 -8.685 5.013 1.00 35.04 H new ATOM 213 N TYR A 14 -2.352 -5.380 2.385 1.00 44.15 N ATOM 214 CA TYR A 14 -1.118 -4.820 1.814 1.00 71.33 C ATOM 215 C TYR A 14 -0.481 -3.781 2.748 1.00 35.41 C ATOM 216 O TYR A 14 -1.137 -3.240 3.634 1.00 34.15 O ATOM 217 CB TYR A 14 -1.412 -4.194 0.444 1.00 34.53 C ATOM 218 CG TYR A 14 -1.862 -5.206 -0.597 1.00 20.04 C ATOM 219 CD1 TYR A 14 -3.199 -5.578 -0.711 1.00 22.41 C ATOM 220 CD2 TYR A 14 -0.944 -5.796 -1.460 1.00 44.45 C ATOM 221 CE1 TYR A 14 -3.605 -6.507 -1.653 1.00 14.30 C ATOM 222 CE2 TYR A 14 -1.344 -6.722 -2.402 1.00 21.23 C ATOM 223 CZ TYR A 14 -2.673 -7.075 -2.496 1.00 40.40 C ATOM 224 OH TYR A 14 -3.066 -8.000 -3.442 1.00 72.01 O ATOM 0 H TYR A 14 -3.136 -4.728 2.413 1.00 44.15 H new ATOM 0 HA TYR A 14 -0.405 -5.635 1.694 1.00 71.33 H new ATOM 0 HB2 TYR A 14 -2.184 -3.433 0.558 1.00 34.53 H new ATOM 0 HB3 TYR A 14 -0.516 -3.687 0.084 1.00 34.53 H new ATOM 0 HD1 TYR A 14 -3.932 -5.134 -0.053 1.00 22.41 H new ATOM 0 HD2 TYR A 14 0.099 -5.525 -1.392 1.00 44.45 H new ATOM 0 HE1 TYR A 14 -4.646 -6.786 -1.728 1.00 14.30 H new ATOM 0 HE2 TYR A 14 -0.617 -7.169 -3.064 1.00 21.23 H new ATOM 0 HH TYR A 14 -4.040 -7.966 -3.548 1.00 72.01 H new ATOM 234 N TYR A 15 0.808 -3.514 2.549 1.00 73.13 N ATOM 235 CA TYR A 15 1.553 -2.567 3.393 1.00 21.33 C ATOM 236 C TYR A 15 2.440 -1.643 2.544 1.00 4.10 C ATOM 237 O TYR A 15 3.270 -2.106 1.765 1.00 54.53 O ATOM 238 CB TYR A 15 2.405 -3.337 4.412 1.00 1.02 C ATOM 239 CG TYR A 15 1.590 -4.281 5.279 1.00 14.53 C ATOM 240 CD1 TYR A 15 1.333 -5.588 4.871 1.00 14.33 C ATOM 241 CD2 TYR A 15 1.061 -3.860 6.495 1.00 24.33 C ATOM 242 CE1 TYR A 15 0.575 -6.444 5.644 1.00 63.13 C ATOM 243 CE2 TYR A 15 0.302 -4.711 7.273 1.00 3.31 C ATOM 244 CZ TYR A 15 0.062 -6.002 6.845 1.00 50.13 C ATOM 245 OH TYR A 15 -0.699 -6.850 7.620 1.00 53.31 O ATOM 0 H TYR A 15 1.365 -3.940 1.808 1.00 73.13 H new ATOM 0 HA TYR A 15 0.835 -1.942 3.924 1.00 21.33 H new ATOM 0 HB2 TYR A 15 3.167 -3.908 3.882 1.00 1.02 H new ATOM 0 HB3 TYR A 15 2.927 -2.625 5.052 1.00 1.02 H new ATOM 0 HD1 TYR A 15 1.735 -5.938 3.932 1.00 14.33 H new ATOM 0 HD2 TYR A 15 1.247 -2.852 6.835 1.00 24.33 H new ATOM 0 HE1 TYR A 15 0.385 -7.453 5.310 1.00 63.13 H new ATOM 0 HE2 TYR A 15 -0.103 -4.368 8.214 1.00 3.31 H new ATOM 0 HH TYR A 15 -0.982 -6.384 8.434 1.00 53.31 H new ATOM 255 N MET A 16 2.269 -0.334 2.712 1.00 65.11 N ATOM 256 CA MET A 16 2.969 0.660 1.879 1.00 31.44 C ATOM 257 C MET A 16 3.650 1.740 2.737 1.00 34.02 C ATOM 258 O MET A 16 3.186 2.054 3.827 1.00 75.30 O ATOM 259 CB MET A 16 1.962 1.321 0.923 1.00 61.04 C ATOM 260 CG MET A 16 2.583 2.309 -0.059 1.00 3.41 C ATOM 261 SD MET A 16 1.347 3.243 -0.984 1.00 53.02 S ATOM 262 CE MET A 16 0.454 1.926 -1.807 1.00 74.13 C ATOM 0 H MET A 16 1.652 0.071 3.417 1.00 65.11 H new ATOM 0 HA MET A 16 3.744 0.144 1.313 1.00 31.44 H new ATOM 0 HB2 MET A 16 1.448 0.542 0.360 1.00 61.04 H new ATOM 0 HB3 MET A 16 1.206 1.840 1.513 1.00 61.04 H new ATOM 0 HG2 MET A 16 3.223 3.003 0.486 1.00 3.41 H new ATOM 0 HG3 MET A 16 3.221 1.768 -0.758 1.00 3.41 H new ATOM 0 HE1 MET A 16 -0.375 2.348 -2.374 1.00 74.13 H new ATOM 0 HE2 MET A 16 1.126 1.399 -2.484 1.00 74.13 H new ATOM 0 HE3 MET A 16 0.067 1.229 -1.064 1.00 74.13 H new ATOM 272 N GLN A 17 4.751 2.302 2.241 1.00 73.22 N ATOM 273 CA GLN A 17 5.428 3.420 2.919 1.00 61.41 C ATOM 274 C GLN A 17 5.387 4.692 2.058 1.00 71.25 C ATOM 275 O GLN A 17 5.652 4.646 0.855 1.00 70.20 O ATOM 276 CB GLN A 17 6.890 3.064 3.230 1.00 24.34 C ATOM 277 CG GLN A 17 7.655 4.184 3.935 1.00 52.11 C ATOM 278 CD GLN A 17 9.134 3.882 4.115 1.00 74.41 C ATOM 279 OE1 GLN A 17 9.955 4.911 4.107 1.00 3.13 O flip ATOM 280 NE2 GLN A 17 9.537 2.733 4.253 1.00 72.05 N flip ATOM 0 H GLN A 17 5.197 2.006 1.373 1.00 73.22 H new ATOM 0 HA GLN A 17 4.897 3.606 3.853 1.00 61.41 H new ATOM 0 HB2 GLN A 17 6.913 2.171 3.854 1.00 24.34 H new ATOM 0 HB3 GLN A 17 7.401 2.816 2.300 1.00 24.34 H new ATOM 0 HG2 GLN A 17 7.547 5.105 3.362 1.00 52.11 H new ATOM 0 HG3 GLN A 17 7.206 4.362 4.912 1.00 52.11 H new ATOM 0 HE21 GLN A 17 8.875 1.957 4.255 1.00 72.05 H new ATOM 0 HE22 GLN A 17 10.535 2.553 4.366 1.00 72.05 H new ATOM 289 N ILE A 18 5.063 5.829 2.672 1.00 35.23 N ATOM 290 CA ILE A 18 5.035 7.101 1.947 1.00 22.25 C ATOM 291 C ILE A 18 6.456 7.553 1.567 1.00 74.43 C ATOM 292 O ILE A 18 7.261 7.920 2.427 1.00 30.42 O ATOM 293 CB ILE A 18 4.338 8.213 2.775 1.00 25.01 C ATOM 294 CG1 ILE A 18 2.884 7.821 3.089 1.00 34.34 C ATOM 295 CG2 ILE A 18 4.389 9.556 2.039 1.00 5.43 C ATOM 296 CD1 ILE A 18 2.028 7.614 1.858 1.00 15.13 C ATOM 0 H ILE A 18 4.818 5.897 3.660 1.00 35.23 H new ATOM 0 HA ILE A 18 4.460 6.936 1.036 1.00 22.25 H new ATOM 0 HB ILE A 18 4.876 8.323 3.717 1.00 25.01 H new ATOM 0 HG12 ILE A 18 2.884 6.904 3.679 1.00 34.34 H new ATOM 0 HG13 ILE A 18 2.433 8.598 3.707 1.00 34.34 H new ATOM 0 HG21 ILE A 18 3.894 10.319 2.640 1.00 5.43 H new ATOM 0 HG22 ILE A 18 5.428 9.841 1.874 1.00 5.43 H new ATOM 0 HG23 ILE A 18 3.881 9.464 1.079 1.00 5.43 H new ATOM 0 HD11 ILE A 18 1.017 7.340 2.160 1.00 15.13 H new ATOM 0 HD12 ILE A 18 1.996 8.536 1.278 1.00 15.13 H new ATOM 0 HD13 ILE A 18 2.454 6.817 1.249 1.00 15.13 H new ATOM 308 N LYS A 19 6.752 7.527 0.268 1.00 74.50 N ATOM 309 CA LYS A 19 8.067 7.935 -0.242 1.00 34.44 C ATOM 310 C LYS A 19 8.180 9.465 -0.341 1.00 71.45 C ATOM 311 O LYS A 19 9.276 10.021 -0.295 1.00 72.41 O ATOM 312 CB LYS A 19 8.307 7.292 -1.618 1.00 15.01 C ATOM 313 CG LYS A 19 9.671 7.605 -2.234 1.00 4.55 C ATOM 314 CD LYS A 19 10.824 7.043 -1.406 1.00 74.30 C ATOM 315 CE LYS A 19 12.178 7.380 -2.026 1.00 53.34 C ATOM 316 NZ LYS A 19 13.306 6.796 -1.257 1.00 13.33 N ATOM 0 H LYS A 19 6.098 7.227 -0.455 1.00 74.50 H new ATOM 0 HA LYS A 19 8.829 7.593 0.458 1.00 34.44 H new ATOM 0 HB2 LYS A 19 8.205 6.211 -1.523 1.00 15.01 H new ATOM 0 HB3 LYS A 19 7.528 7.627 -2.303 1.00 15.01 H new ATOM 0 HG2 LYS A 19 9.715 7.192 -3.242 1.00 4.55 H new ATOM 0 HG3 LYS A 19 9.786 8.685 -2.327 1.00 4.55 H new ATOM 0 HD2 LYS A 19 10.776 7.446 -0.394 1.00 74.30 H new ATOM 0 HD3 LYS A 19 10.720 5.961 -1.324 1.00 74.30 H new ATOM 0 HE2 LYS A 19 12.209 7.010 -3.051 1.00 53.34 H new ATOM 0 HE3 LYS A 19 12.295 8.463 -2.074 1.00 53.34 H new ATOM 0 HZ1 LYS A 19 14.205 7.050 -1.713 1.00 13.33 H new ATOM 0 HZ2 LYS A 19 13.293 7.168 -0.286 1.00 13.33 H new ATOM 0 HZ3 LYS A 19 13.210 5.761 -1.233 1.00 13.33 H new ATOM 330 N GLY A 20 7.038 10.138 -0.473 1.00 12.12 N ATOM 331 CA GLY A 20 7.028 11.594 -0.590 1.00 14.14 C ATOM 332 C GLY A 20 6.914 12.083 -2.033 1.00 34.15 C ATOM 333 O GLY A 20 6.797 13.285 -2.279 1.00 42.00 O ATOM 0 H GLY A 20 6.116 9.703 -0.501 1.00 12.12 H new ATOM 0 HA2 GLY A 20 6.194 11.992 -0.012 1.00 14.14 H new ATOM 0 HA3 GLY A 20 7.941 11.993 -0.149 1.00 14.14 H new ATOM 337 N GLU A 21 6.952 11.154 -2.988 1.00 21.31 N ATOM 338 CA GLU A 21 6.846 11.499 -4.411 1.00 20.22 C ATOM 339 C GLU A 21 5.454 12.059 -4.756 1.00 53.01 C ATOM 340 O GLU A 21 4.495 11.307 -4.943 1.00 63.52 O ATOM 341 CB GLU A 21 7.145 10.269 -5.286 1.00 42.44 C ATOM 342 CG GLU A 21 8.515 9.641 -5.035 1.00 0.23 C ATOM 343 CD GLU A 21 9.662 10.621 -5.225 1.00 1.14 C ATOM 344 OE1 GLU A 21 9.918 11.025 -6.380 1.00 3.52 O ATOM 345 OE2 GLU A 21 10.315 10.986 -4.222 1.00 31.21 O ATOM 0 H GLU A 21 7.055 10.156 -2.805 1.00 21.31 H new ATOM 0 HA GLU A 21 7.584 12.275 -4.615 1.00 20.22 H new ATOM 0 HB2 GLU A 21 6.375 9.517 -5.112 1.00 42.44 H new ATOM 0 HB3 GLU A 21 7.077 10.558 -6.335 1.00 42.44 H new ATOM 0 HG2 GLU A 21 8.547 9.246 -4.020 1.00 0.23 H new ATOM 0 HG3 GLU A 21 8.651 8.796 -5.710 1.00 0.23 H new ATOM 352 N GLY A 22 5.348 13.385 -4.822 1.00 74.23 N ATOM 353 CA GLY A 22 4.087 14.020 -5.184 1.00 45.43 C ATOM 354 C GLY A 22 3.788 13.923 -6.678 1.00 65.35 C ATOM 355 O GLY A 22 3.926 14.902 -7.412 1.00 50.41 O ATOM 0 H GLY A 22 6.113 14.033 -4.631 1.00 74.23 H new ATOM 0 HA2 GLY A 22 3.276 13.554 -4.624 1.00 45.43 H new ATOM 0 HA3 GLY A 22 4.115 15.069 -4.890 1.00 45.43 H new ATOM 359 N THR A 23 3.375 12.741 -7.126 1.00 0.31 N ATOM 360 CA THR A 23 3.092 12.503 -8.549 1.00 43.24 C ATOM 361 C THR A 23 1.684 12.974 -8.942 1.00 5.55 C ATOM 362 O THR A 23 0.707 12.725 -8.234 1.00 51.23 O ATOM 363 CB THR A 23 3.247 11.006 -8.917 1.00 15.01 C ATOM 364 OG1 THR A 23 2.965 10.799 -10.312 1.00 64.32 O ATOM 365 CG2 THR A 23 2.328 10.124 -8.070 1.00 52.43 C ATOM 0 H THR A 23 3.227 11.928 -6.528 1.00 0.31 H new ATOM 0 HA THR A 23 3.825 13.087 -9.106 1.00 43.24 H new ATOM 0 HB THR A 23 4.279 10.723 -8.711 1.00 15.01 H new ATOM 0 HG1 THR A 23 3.069 9.849 -10.529 1.00 64.32 H new ATOM 0 HG21 THR A 23 2.462 9.080 -8.354 1.00 52.43 H new ATOM 0 HG22 THR A 23 2.575 10.248 -7.016 1.00 52.43 H new ATOM 0 HG23 THR A 23 1.291 10.415 -8.236 1.00 52.43 H new ATOM 373 N ILE A 24 1.598 13.674 -10.069 1.00 31.43 N ATOM 374 CA ILE A 24 0.322 14.185 -10.586 1.00 1.11 C ATOM 375 C ILE A 24 -0.045 13.499 -11.912 1.00 73.34 C ATOM 376 O ILE A 24 0.818 13.281 -12.767 1.00 45.32 O ATOM 377 CB ILE A 24 0.388 15.720 -10.809 1.00 11.14 C ATOM 378 CG1 ILE A 24 0.841 16.440 -9.522 1.00 3.21 C ATOM 379 CG2 ILE A 24 -0.965 16.258 -11.280 1.00 65.33 C ATOM 380 CD1 ILE A 24 -0.075 16.226 -8.334 1.00 21.43 C ATOM 0 H ILE A 24 2.403 13.905 -10.651 1.00 31.43 H new ATOM 0 HA ILE A 24 -0.443 13.964 -9.842 1.00 1.11 H new ATOM 0 HB ILE A 24 1.124 15.918 -11.588 1.00 11.14 H new ATOM 0 HG12 ILE A 24 1.842 16.097 -9.261 1.00 3.21 H new ATOM 0 HG13 ILE A 24 0.913 17.509 -9.723 1.00 3.21 H new ATOM 0 HG21 ILE A 24 -0.896 17.335 -11.430 1.00 65.33 H new ATOM 0 HG22 ILE A 24 -1.241 15.778 -12.219 1.00 65.33 H new ATOM 0 HG23 ILE A 24 -1.724 16.044 -10.527 1.00 65.33 H new ATOM 0 HD11 ILE A 24 0.316 16.766 -7.471 1.00 21.43 H new ATOM 0 HD12 ILE A 24 -1.072 16.596 -8.572 1.00 21.43 H new ATOM 0 HD13 ILE A 24 -0.128 15.162 -8.103 1.00 21.43 H new ATOM 392 N GLU A 25 -1.321 13.166 -12.084 1.00 32.44 N ATOM 393 CA GLU A 25 -1.783 12.515 -13.314 1.00 21.35 C ATOM 394 C GLU A 25 -2.892 13.338 -13.990 1.00 43.12 C ATOM 395 O GLU A 25 -4.005 13.448 -13.473 1.00 12.42 O ATOM 396 CB GLU A 25 -2.266 11.090 -13.007 1.00 55.52 C ATOM 397 CG GLU A 25 -2.615 10.269 -14.245 1.00 61.23 C ATOM 398 CD GLU A 25 -2.871 8.804 -13.921 1.00 11.33 C ATOM 399 OE1 GLU A 25 -4.009 8.460 -13.549 1.00 72.34 O ATOM 400 OE2 GLU A 25 -1.928 7.990 -14.024 1.00 55.41 O ATOM 0 H GLU A 25 -2.053 13.333 -11.394 1.00 32.44 H new ATOM 0 HA GLU A 25 -0.946 12.455 -14.010 1.00 21.35 H new ATOM 0 HB2 GLU A 25 -1.491 10.569 -12.445 1.00 55.52 H new ATOM 0 HB3 GLU A 25 -3.143 11.146 -12.363 1.00 55.52 H new ATOM 0 HG2 GLU A 25 -3.500 10.693 -14.720 1.00 61.23 H new ATOM 0 HG3 GLU A 25 -1.801 10.341 -14.966 1.00 61.23 H new ATOM 407 N LYS A 26 -2.575 13.928 -15.144 1.00 32.02 N ATOM 408 CA LYS A 26 -3.524 14.786 -15.862 1.00 72.12 C ATOM 409 C LYS A 26 -4.471 13.947 -16.739 1.00 73.35 C ATOM 410 O LYS A 26 -4.084 13.447 -17.798 1.00 71.34 O ATOM 411 CB LYS A 26 -2.753 15.818 -16.708 1.00 11.43 C ATOM 412 CG LYS A 26 -3.567 17.043 -17.126 1.00 1.43 C ATOM 413 CD LYS A 26 -4.374 16.795 -18.395 1.00 62.31 C ATOM 414 CE LYS A 26 -3.483 16.484 -19.592 1.00 32.35 C ATOM 415 NZ LYS A 26 -2.520 17.582 -19.873 1.00 72.43 N ATOM 0 H LYS A 26 -1.669 13.828 -15.603 1.00 32.02 H new ATOM 0 HA LYS A 26 -4.138 15.318 -15.135 1.00 72.12 H new ATOM 0 HB2 LYS A 26 -1.883 16.153 -16.143 1.00 11.43 H new ATOM 0 HB3 LYS A 26 -2.379 15.325 -17.605 1.00 11.43 H new ATOM 0 HG2 LYS A 26 -4.242 17.321 -16.317 1.00 1.43 H new ATOM 0 HG3 LYS A 26 -2.895 17.886 -17.284 1.00 1.43 H new ATOM 0 HD2 LYS A 26 -5.061 15.965 -18.230 1.00 62.31 H new ATOM 0 HD3 LYS A 26 -4.981 17.673 -18.615 1.00 62.31 H new ATOM 0 HE2 LYS A 26 -2.935 15.561 -19.405 1.00 32.35 H new ATOM 0 HE3 LYS A 26 -4.104 16.313 -20.471 1.00 32.35 H new ATOM 0 HZ1 LYS A 26 -2.066 17.418 -20.794 1.00 72.43 H new ATOM 0 HZ2 LYS A 26 -3.026 18.491 -19.893 1.00 72.43 H new ATOM 0 HZ3 LYS A 26 -1.794 17.606 -19.129 1.00 72.43 H new ATOM 429 N VAL A 27 -5.714 13.798 -16.285 1.00 24.31 N ATOM 430 CA VAL A 27 -6.727 13.013 -16.998 1.00 43.45 C ATOM 431 C VAL A 27 -7.845 13.920 -17.544 1.00 21.22 C ATOM 432 O VAL A 27 -8.397 14.742 -16.814 1.00 42.23 O ATOM 433 CB VAL A 27 -7.349 11.937 -16.067 1.00 31.03 C ATOM 434 CG1 VAL A 27 -8.365 11.080 -16.817 1.00 73.05 C ATOM 435 CG2 VAL A 27 -6.258 11.067 -15.436 1.00 35.41 C ATOM 0 H VAL A 27 -6.049 14.215 -15.417 1.00 24.31 H new ATOM 0 HA VAL A 27 -6.229 12.520 -17.833 1.00 43.45 H new ATOM 0 HB VAL A 27 -7.877 12.453 -15.265 1.00 31.03 H new ATOM 0 HG11 VAL A 27 -8.784 10.336 -16.140 1.00 73.05 H new ATOM 0 HG12 VAL A 27 -9.165 11.714 -17.198 1.00 73.05 H new ATOM 0 HG13 VAL A 27 -7.873 10.577 -17.649 1.00 73.05 H new ATOM 0 HG21 VAL A 27 -6.717 10.321 -14.788 1.00 35.41 H new ATOM 0 HG22 VAL A 27 -5.692 10.567 -16.222 1.00 35.41 H new ATOM 0 HG23 VAL A 27 -5.587 11.694 -14.849 1.00 35.41 H new ATOM 445 N ASP A 28 -8.149 13.782 -18.838 1.00 20.32 N ATOM 446 CA ASP A 28 -9.233 14.543 -19.481 1.00 74.43 C ATOM 447 C ASP A 28 -9.013 16.062 -19.362 1.00 64.32 C ATOM 448 O ASP A 28 -9.964 16.846 -19.280 1.00 73.55 O ATOM 449 CB ASP A 28 -10.587 14.139 -18.883 1.00 3.31 C ATOM 450 CG ASP A 28 -10.988 12.714 -19.229 1.00 61.31 C ATOM 451 OD1 ASP A 28 -10.119 11.915 -19.644 1.00 5.15 O ATOM 452 OD2 ASP A 28 -12.184 12.387 -19.092 1.00 52.13 O ATOM 0 H ASP A 28 -7.658 13.147 -19.467 1.00 20.32 H new ATOM 0 HA ASP A 28 -9.229 14.300 -20.544 1.00 74.43 H new ATOM 0 HB2 ASP A 28 -10.546 14.246 -17.799 1.00 3.31 H new ATOM 0 HB3 ASP A 28 -11.355 14.824 -19.242 1.00 3.31 H new ATOM 457 N GLY A 29 -7.747 16.463 -19.386 1.00 55.21 N ATOM 458 CA GLY A 29 -7.385 17.870 -19.254 1.00 63.01 C ATOM 459 C GLY A 29 -7.517 18.403 -17.830 1.00 74.11 C ATOM 460 O GLY A 29 -7.577 19.616 -17.617 1.00 14.42 O ATOM 0 H GLY A 29 -6.953 15.833 -19.496 1.00 55.21 H new ATOM 0 HA2 GLY A 29 -6.357 18.005 -19.590 1.00 63.01 H new ATOM 0 HA3 GLY A 29 -8.017 18.463 -19.915 1.00 63.01 H new ATOM 464 N ARG A 30 -7.580 17.498 -16.856 1.00 33.11 N ATOM 465 CA ARG A 30 -7.574 17.870 -15.438 1.00 10.21 C ATOM 466 C ARG A 30 -6.440 17.158 -14.695 1.00 74.33 C ATOM 467 O ARG A 30 -6.376 15.927 -14.682 1.00 61.41 O ATOM 468 CB ARG A 30 -8.911 17.519 -14.768 1.00 65.41 C ATOM 469 CG ARG A 30 -10.087 18.375 -15.222 1.00 64.15 C ATOM 470 CD ARG A 30 -11.327 18.103 -14.376 1.00 12.45 C ATOM 471 NE ARG A 30 -11.055 18.279 -12.945 1.00 51.44 N ATOM 472 CZ ARG A 30 -11.956 18.173 -12.007 1.00 3.24 C ATOM 473 NH1 ARG A 30 -13.187 17.930 -12.301 1.00 43.14 N ATOM 474 NH2 ARG A 30 -11.620 18.318 -10.766 1.00 75.23 N ATOM 0 H ARG A 30 -7.636 16.493 -17.022 1.00 33.11 H new ATOM 0 HA ARG A 30 -7.422 18.948 -15.386 1.00 10.21 H new ATOM 0 HB2 ARG A 30 -9.140 16.472 -14.969 1.00 65.41 H new ATOM 0 HB3 ARG A 30 -8.800 17.619 -13.688 1.00 65.41 H new ATOM 0 HG2 ARG A 30 -9.821 19.430 -15.153 1.00 64.15 H new ATOM 0 HG3 ARG A 30 -10.306 18.170 -16.270 1.00 64.15 H new ATOM 0 HD2 ARG A 30 -12.130 18.775 -14.680 1.00 12.45 H new ATOM 0 HD3 ARG A 30 -11.676 17.087 -14.558 1.00 12.45 H new ATOM 0 HE ARG A 30 -10.099 18.499 -12.665 1.00 51.44 H new ATOM 0 HH11 ARG A 30 -13.466 17.818 -13.276 1.00 43.14 H new ATOM 0 HH12 ARG A 30 -13.882 17.849 -11.559 1.00 43.14 H new ATOM 0 HH21 ARG A 30 -10.650 18.515 -10.520 1.00 75.23 H new ATOM 0 HH22 ARG A 30 -12.325 18.235 -10.034 1.00 75.23 H new ATOM 488 N ASN A 31 -5.542 17.922 -14.084 1.00 63.14 N ATOM 489 CA ASN A 31 -4.465 17.334 -13.290 1.00 63.11 C ATOM 490 C ASN A 31 -4.990 16.808 -11.941 1.00 2.11 C ATOM 491 O ASN A 31 -5.197 17.565 -10.989 1.00 12.12 O ATOM 492 CB ASN A 31 -3.328 18.347 -13.084 1.00 61.10 C ATOM 493 CG ASN A 31 -3.783 19.655 -12.456 1.00 51.02 C ATOM 494 OD1 ASN A 31 -4.909 20.107 -12.648 1.00 15.11 O ATOM 495 ND2 ASN A 31 -2.904 20.280 -11.702 1.00 55.35 N ATOM 0 H ASN A 31 -5.536 18.941 -14.121 1.00 63.14 H new ATOM 0 HA ASN A 31 -4.066 16.483 -13.842 1.00 63.11 H new ATOM 0 HB2 ASN A 31 -2.562 17.897 -12.452 1.00 61.10 H new ATOM 0 HB3 ASN A 31 -2.863 18.559 -14.047 1.00 61.10 H new ATOM 0 HD21 ASN A 31 -3.150 21.165 -11.258 1.00 55.35 H new ATOM 0 HD22 ASN A 31 -1.977 19.880 -11.561 1.00 55.35 H new ATOM 502 N LEU A 32 -5.205 15.496 -11.874 1.00 24.14 N ATOM 503 CA LEU A 32 -5.731 14.848 -10.669 1.00 4.01 C ATOM 504 C LEU A 32 -4.592 14.343 -9.778 1.00 13.03 C ATOM 505 O LEU A 32 -3.610 13.772 -10.266 1.00 61.13 O ATOM 506 CB LEU A 32 -6.649 13.678 -11.064 1.00 41.51 C ATOM 507 CG LEU A 32 -7.834 14.044 -11.977 1.00 44.14 C ATOM 508 CD1 LEU A 32 -8.650 12.803 -12.334 1.00 13.12 C ATOM 509 CD2 LEU A 32 -8.718 15.102 -11.320 1.00 42.51 C ATOM 0 H LEU A 32 -5.022 14.854 -12.645 1.00 24.14 H new ATOM 0 HA LEU A 32 -6.305 15.583 -10.105 1.00 4.01 H new ATOM 0 HB2 LEU A 32 -6.047 12.920 -11.565 1.00 41.51 H new ATOM 0 HB3 LEU A 32 -7.041 13.223 -10.154 1.00 41.51 H new ATOM 0 HG LEU A 32 -7.432 14.462 -12.900 1.00 44.14 H new ATOM 0 HD11 LEU A 32 -9.481 13.087 -12.979 1.00 13.12 H new ATOM 0 HD12 LEU A 32 -8.014 12.087 -12.855 1.00 13.12 H new ATOM 0 HD13 LEU A 32 -9.038 12.348 -11.423 1.00 13.12 H new ATOM 0 HD21 LEU A 32 -9.548 15.345 -11.983 1.00 42.51 H new ATOM 0 HD22 LEU A 32 -9.107 14.717 -10.377 1.00 42.51 H new ATOM 0 HD23 LEU A 32 -8.130 16.000 -11.130 1.00 42.51 H new ATOM 521 N ARG A 33 -4.711 14.554 -8.470 1.00 3.31 N ATOM 522 CA ARG A 33 -3.661 14.141 -7.542 1.00 25.41 C ATOM 523 C ARG A 33 -3.953 12.758 -6.942 1.00 22.43 C ATOM 524 O ARG A 33 -4.776 12.617 -6.038 1.00 10.43 O ATOM 525 CB ARG A 33 -3.507 15.181 -6.423 1.00 0.22 C ATOM 526 CG ARG A 33 -3.376 16.612 -6.940 1.00 61.51 C ATOM 527 CD ARG A 33 -3.084 17.608 -5.820 1.00 51.24 C ATOM 528 NE ARG A 33 -3.119 18.989 -6.300 1.00 34.44 N ATOM 529 CZ ARG A 33 -2.126 19.830 -6.210 1.00 3.03 C ATOM 530 NH1 ARG A 33 -0.986 19.474 -5.713 1.00 13.11 N ATOM 531 NH2 ARG A 33 -2.274 21.040 -6.637 1.00 34.40 N ATOM 0 H ARG A 33 -5.515 15.004 -8.032 1.00 3.31 H new ATOM 0 HA ARG A 33 -2.728 14.072 -8.101 1.00 25.41 H new ATOM 0 HB2 ARG A 33 -4.369 15.120 -5.759 1.00 0.22 H new ATOM 0 HB3 ARG A 33 -2.628 14.936 -5.827 1.00 0.22 H new ATOM 0 HG2 ARG A 33 -2.577 16.657 -7.680 1.00 61.51 H new ATOM 0 HG3 ARG A 33 -4.297 16.899 -7.447 1.00 61.51 H new ATOM 0 HD2 ARG A 33 -3.815 17.482 -5.021 1.00 51.24 H new ATOM 0 HD3 ARG A 33 -2.104 17.397 -5.392 1.00 51.24 H new ATOM 0 HE ARG A 33 -3.981 19.318 -6.736 1.00 34.44 H new ATOM 0 HH11 ARG A 33 -0.850 18.519 -5.382 1.00 13.11 H new ATOM 0 HH12 ARG A 33 -0.223 20.148 -5.652 1.00 13.11 H new ATOM 0 HH21 ARG A 33 -3.163 21.333 -7.042 1.00 34.40 H new ATOM 0 HH22 ARG A 33 -1.502 21.703 -6.570 1.00 34.40 H new ATOM 545 N ASN A 34 -3.276 11.745 -7.473 1.00 55.15 N ATOM 546 CA ASN A 34 -3.303 10.392 -6.912 1.00 33.24 C ATOM 547 C ASN A 34 -1.886 9.803 -6.871 1.00 5.52 C ATOM 548 O ASN A 34 -1.113 9.958 -7.817 1.00 22.51 O ATOM 549 CB ASN A 34 -4.278 9.486 -7.691 1.00 12.43 C ATOM 550 CG ASN A 34 -4.244 9.680 -9.204 1.00 54.34 C ATOM 551 OD1 ASN A 34 -5.265 9.549 -9.872 1.00 73.52 O ATOM 552 ND2 ASN A 34 -3.086 9.962 -9.769 1.00 42.11 N ATOM 0 H ASN A 34 -2.692 11.835 -8.304 1.00 55.15 H new ATOM 0 HA ASN A 34 -3.671 10.449 -5.888 1.00 33.24 H new ATOM 0 HB2 ASN A 34 -4.047 8.445 -7.465 1.00 12.43 H new ATOM 0 HB3 ASN A 34 -5.291 9.672 -7.335 1.00 12.43 H new ATOM 0 HD21 ASN A 34 -3.027 10.076 -10.781 1.00 42.11 H new ATOM 0 HD22 ASN A 34 -2.250 10.066 -9.194 1.00 42.11 H new ATOM 559 N TYR A 35 -1.545 9.127 -5.783 1.00 73.45 N ATOM 560 CA TYR A 35 -0.163 8.691 -5.552 1.00 32.14 C ATOM 561 C TYR A 35 0.007 7.180 -5.771 1.00 42.51 C ATOM 562 O TYR A 35 -0.697 6.367 -5.171 1.00 73.34 O ATOM 563 CB TYR A 35 0.270 9.089 -4.135 1.00 1.40 C ATOM 564 CG TYR A 35 0.019 10.556 -3.820 1.00 72.41 C ATOM 565 CD1 TYR A 35 0.973 11.527 -4.115 1.00 35.30 C ATOM 566 CD2 TYR A 35 -1.178 10.970 -3.242 1.00 23.11 C ATOM 567 CE1 TYR A 35 0.738 12.864 -3.840 1.00 1.10 C ATOM 568 CE2 TYR A 35 -1.417 12.303 -2.964 1.00 74.34 C ATOM 569 CZ TYR A 35 -0.459 13.245 -3.266 1.00 41.03 C ATOM 570 OH TYR A 35 -0.701 14.576 -2.992 1.00 32.34 O ATOM 0 H TYR A 35 -2.199 8.866 -5.045 1.00 73.45 H new ATOM 0 HA TYR A 35 0.477 9.189 -6.280 1.00 32.14 H new ATOM 0 HB2 TYR A 35 -0.265 8.473 -3.412 1.00 1.40 H new ATOM 0 HB3 TYR A 35 1.332 8.875 -4.013 1.00 1.40 H new ATOM 0 HD1 TYR A 35 1.910 11.233 -4.565 1.00 35.30 H new ATOM 0 HD2 TYR A 35 -1.934 10.236 -3.006 1.00 23.11 H new ATOM 0 HE1 TYR A 35 1.488 13.606 -4.073 1.00 1.10 H new ATOM 0 HE2 TYR A 35 -2.351 12.604 -2.512 1.00 74.34 H new ATOM 0 HH TYR A 35 -1.590 14.671 -2.591 1.00 32.34 H new ATOM 580 N THR A 36 0.950 6.814 -6.640 1.00 70.24 N ATOM 581 CA THR A 36 1.219 5.406 -6.964 1.00 40.22 C ATOM 582 C THR A 36 2.530 4.931 -6.325 1.00 12.31 C ATOM 583 O THR A 36 3.620 5.340 -6.743 1.00 51.34 O ATOM 584 CB THR A 36 1.305 5.190 -8.497 1.00 24.40 C ATOM 585 OG1 THR A 36 0.117 5.680 -9.137 1.00 44.30 O ATOM 586 CG2 THR A 36 1.490 3.715 -8.835 1.00 1.24 C ATOM 0 H THR A 36 1.546 7.476 -7.137 1.00 70.24 H new ATOM 0 HA THR A 36 0.389 4.825 -6.563 1.00 40.22 H new ATOM 0 HB THR A 36 2.170 5.743 -8.862 1.00 24.40 H new ATOM 0 HG1 THR A 36 0.185 5.539 -10.104 1.00 44.30 H new ATOM 0 HG21 THR A 36 1.547 3.594 -9.917 1.00 1.24 H new ATOM 0 HG22 THR A 36 2.411 3.350 -8.380 1.00 1.24 H new ATOM 0 HG23 THR A 36 0.645 3.145 -8.450 1.00 1.24 H new ATOM 594 N LEU A 37 2.426 4.063 -5.320 1.00 12.13 N ATOM 595 CA LEU A 37 3.601 3.579 -4.577 1.00 13.55 C ATOM 596 C LEU A 37 3.600 2.041 -4.442 1.00 10.23 C ATOM 597 O LEU A 37 2.544 1.402 -4.489 1.00 60.21 O ATOM 598 CB LEU A 37 3.651 4.228 -3.179 1.00 32.14 C ATOM 599 CG LEU A 37 3.840 5.758 -3.159 1.00 22.03 C ATOM 600 CD1 LEU A 37 3.830 6.286 -1.727 1.00 45.24 C ATOM 601 CD2 LEU A 37 5.134 6.156 -3.867 1.00 61.35 C ATOM 0 H LEU A 37 1.539 3.676 -4.997 1.00 12.13 H new ATOM 0 HA LEU A 37 4.488 3.864 -5.143 1.00 13.55 H new ATOM 0 HB2 LEU A 37 2.727 3.988 -2.654 1.00 32.14 H new ATOM 0 HB3 LEU A 37 4.465 3.772 -2.616 1.00 32.14 H new ATOM 0 HG LEU A 37 3.005 6.207 -3.696 1.00 22.03 H new ATOM 0 HD11 LEU A 37 3.965 7.368 -1.737 1.00 45.24 H new ATOM 0 HD12 LEU A 37 2.877 6.044 -1.256 1.00 45.24 H new ATOM 0 HD13 LEU A 37 4.641 5.824 -1.163 1.00 45.24 H new ATOM 0 HD21 LEU A 37 5.245 7.240 -3.840 1.00 61.35 H new ATOM 0 HD22 LEU A 37 5.982 5.692 -3.364 1.00 61.35 H new ATOM 0 HD23 LEU A 37 5.100 5.821 -4.904 1.00 61.35 H new ATOM 613 N PRO A 38 4.792 1.424 -4.288 1.00 32.45 N ATOM 614 CA PRO A 38 4.911 -0.031 -4.079 1.00 71.14 C ATOM 615 C PRO A 38 4.392 -0.484 -2.701 1.00 64.51 C ATOM 616 O PRO A 38 4.747 0.088 -1.667 1.00 63.32 O ATOM 617 CB PRO A 38 6.422 -0.285 -4.197 1.00 41.32 C ATOM 618 CG PRO A 38 7.053 1.015 -3.827 1.00 13.35 C ATOM 619 CD PRO A 38 6.115 2.085 -4.320 1.00 72.43 C ATOM 0 HA PRO A 38 4.311 -0.591 -4.796 1.00 71.14 H new ATOM 0 HB2 PRO A 38 6.743 -1.085 -3.530 1.00 41.32 H new ATOM 0 HB3 PRO A 38 6.696 -0.585 -5.209 1.00 41.32 H new ATOM 0 HG2 PRO A 38 7.195 1.087 -2.749 1.00 13.35 H new ATOM 0 HG3 PRO A 38 8.037 1.116 -4.286 1.00 13.35 H new ATOM 0 HD2 PRO A 38 6.139 2.967 -3.679 1.00 72.43 H new ATOM 0 HD3 PRO A 38 6.375 2.415 -5.326 1.00 72.43 H new ATOM 627 N ALA A 39 3.557 -1.518 -2.698 1.00 32.32 N ATOM 628 CA ALA A 39 3.007 -2.076 -1.462 1.00 61.33 C ATOM 629 C ALA A 39 3.257 -3.588 -1.380 1.00 21.10 C ATOM 630 O ALA A 39 3.212 -4.289 -2.391 1.00 21.23 O ATOM 631 CB ALA A 39 1.515 -1.781 -1.364 1.00 73.43 C ATOM 0 H ALA A 39 3.243 -1.992 -3.545 1.00 32.32 H new ATOM 0 HA ALA A 39 3.516 -1.602 -0.622 1.00 61.33 H new ATOM 0 HB1 ALA A 39 1.121 -2.203 -0.439 1.00 73.43 H new ATOM 0 HB2 ALA A 39 1.356 -0.703 -1.368 1.00 73.43 H new ATOM 0 HB3 ALA A 39 0.999 -2.227 -2.215 1.00 73.43 H new ATOM 637 N TYR A 40 3.520 -4.082 -0.177 1.00 3.32 N ATOM 638 CA TYR A 40 3.790 -5.507 0.038 1.00 13.11 C ATOM 639 C TYR A 40 2.594 -6.209 0.700 1.00 44.24 C ATOM 640 O TYR A 40 2.055 -5.735 1.698 1.00 51.14 O ATOM 641 CB TYR A 40 5.040 -5.684 0.912 1.00 65.54 C ATOM 642 CG TYR A 40 6.306 -5.090 0.315 1.00 61.11 C ATOM 643 CD1 TYR A 40 6.627 -3.747 0.504 1.00 72.45 C ATOM 644 CD2 TYR A 40 7.186 -5.871 -0.429 1.00 54.52 C ATOM 645 CE1 TYR A 40 7.781 -3.205 -0.030 1.00 0.40 C ATOM 646 CE2 TYR A 40 8.343 -5.334 -0.960 1.00 53.12 C ATOM 647 CZ TYR A 40 8.635 -4.001 -0.759 1.00 11.02 C ATOM 648 OH TYR A 40 9.794 -3.467 -1.281 1.00 62.01 O ATOM 0 H TYR A 40 3.553 -3.518 0.672 1.00 3.32 H new ATOM 0 HA TYR A 40 3.960 -5.964 -0.937 1.00 13.11 H new ATOM 0 HB2 TYR A 40 4.859 -5.224 1.883 1.00 65.54 H new ATOM 0 HB3 TYR A 40 5.199 -6.748 1.088 1.00 65.54 H new ATOM 0 HD1 TYR A 40 5.962 -3.119 1.078 1.00 72.45 H new ATOM 0 HD2 TYR A 40 6.961 -6.914 -0.594 1.00 54.52 H new ATOM 0 HE1 TYR A 40 8.012 -2.161 0.124 1.00 0.40 H new ATOM 0 HE2 TYR A 40 9.017 -5.956 -1.531 1.00 53.12 H new ATOM 0 HH TYR A 40 10.561 -3.770 -0.752 1.00 62.01 H new ATOM 658 N ASP A 41 2.185 -7.334 0.123 1.00 2.14 N ATOM 659 CA ASP A 41 1.106 -8.166 0.676 1.00 43.23 C ATOM 660 C ASP A 41 1.473 -8.728 2.066 1.00 52.33 C ATOM 661 O ASP A 41 2.614 -8.619 2.508 1.00 5.23 O ATOM 662 CB ASP A 41 0.809 -9.306 -0.313 1.00 3.34 C ATOM 663 CG ASP A 41 -0.196 -10.323 0.209 1.00 23.43 C ATOM 664 OD1 ASP A 41 -1.400 -10.011 0.252 1.00 35.44 O ATOM 665 OD2 ASP A 41 0.222 -11.440 0.588 1.00 3.52 O ATOM 0 H ASP A 41 2.587 -7.700 -0.740 1.00 2.14 H new ATOM 0 HA ASP A 41 0.217 -7.550 0.811 1.00 43.23 H new ATOM 0 HB2 ASP A 41 0.432 -8.880 -1.242 1.00 3.34 H new ATOM 0 HB3 ASP A 41 1.740 -9.819 -0.553 1.00 3.34 H new ATOM 670 N GLU A 42 0.493 -9.324 2.744 1.00 0.25 N ATOM 671 CA GLU A 42 0.701 -9.968 4.052 1.00 53.40 C ATOM 672 C GLU A 42 1.904 -10.941 4.013 1.00 35.21 C ATOM 673 O GLU A 42 2.674 -11.038 4.971 1.00 33.14 O ATOM 674 CB GLU A 42 -0.593 -10.713 4.448 1.00 74.31 C ATOM 675 CG GLU A 42 -0.849 -10.830 5.953 1.00 11.43 C ATOM 676 CD GLU A 42 0.087 -11.792 6.668 1.00 42.34 C ATOM 677 OE1 GLU A 42 -0.028 -13.016 6.444 1.00 61.52 O ATOM 678 OE2 GLU A 42 0.919 -11.335 7.484 1.00 20.32 O ATOM 0 H GLU A 42 -0.468 -9.377 2.407 1.00 0.25 H new ATOM 0 HA GLU A 42 0.929 -9.205 4.796 1.00 53.40 H new ATOM 0 HB2 GLU A 42 -1.441 -10.202 3.991 1.00 74.31 H new ATOM 0 HB3 GLU A 42 -0.559 -11.716 4.023 1.00 74.31 H new ATOM 0 HG2 GLU A 42 -0.753 -9.843 6.405 1.00 11.43 H new ATOM 0 HG3 GLU A 42 -1.877 -11.155 6.112 1.00 11.43 H new ATOM 685 N ASP A 43 2.068 -11.641 2.886 1.00 72.04 N ATOM 686 CA ASP A 43 3.178 -12.594 2.703 1.00 62.50 C ATOM 687 C ASP A 43 4.439 -11.908 2.125 1.00 75.25 C ATOM 688 O ASP A 43 5.457 -12.558 1.863 1.00 60.40 O ATOM 689 CB ASP A 43 2.722 -13.749 1.795 1.00 14.32 C ATOM 690 CG ASP A 43 3.742 -14.874 1.715 1.00 42.20 C ATOM 691 OD1 ASP A 43 4.166 -15.377 2.778 1.00 32.32 O ATOM 692 OD2 ASP A 43 4.136 -15.251 0.590 1.00 55.15 O ATOM 0 H ASP A 43 1.446 -11.568 2.081 1.00 72.04 H new ATOM 0 HA ASP A 43 3.451 -12.989 3.682 1.00 62.50 H new ATOM 0 HB2 ASP A 43 1.778 -14.147 2.167 1.00 14.32 H new ATOM 0 HB3 ASP A 43 2.533 -13.364 0.793 1.00 14.32 H new ATOM 697 N GLY A 44 4.375 -10.590 1.950 1.00 41.34 N ATOM 698 CA GLY A 44 5.521 -9.825 1.460 1.00 74.52 C ATOM 699 C GLY A 44 5.606 -9.738 -0.064 1.00 4.43 C ATOM 700 O GLY A 44 6.688 -9.550 -0.619 1.00 33.34 O ATOM 0 H GLY A 44 3.544 -10.030 2.140 1.00 41.34 H new ATOM 0 HA2 GLY A 44 5.473 -8.816 1.869 1.00 74.52 H new ATOM 0 HA3 GLY A 44 6.437 -10.279 1.839 1.00 74.52 H new ATOM 704 N VAL A 45 4.469 -9.866 -0.743 1.00 74.42 N ATOM 705 CA VAL A 45 4.428 -9.794 -2.212 1.00 4.11 C ATOM 706 C VAL A 45 4.432 -8.333 -2.700 1.00 51.32 C ATOM 707 O VAL A 45 3.528 -7.561 -2.381 1.00 45.13 O ATOM 708 CB VAL A 45 3.179 -10.517 -2.778 1.00 4.24 C ATOM 709 CG1 VAL A 45 3.193 -10.518 -4.308 1.00 23.50 C ATOM 710 CG2 VAL A 45 3.080 -11.940 -2.229 1.00 64.21 C ATOM 0 H VAL A 45 3.561 -10.020 -0.305 1.00 74.42 H new ATOM 0 HA VAL A 45 5.324 -10.295 -2.578 1.00 4.11 H new ATOM 0 HB VAL A 45 2.295 -9.969 -2.453 1.00 4.24 H new ATOM 0 HG11 VAL A 45 2.306 -11.031 -4.680 1.00 23.50 H new ATOM 0 HG12 VAL A 45 3.197 -9.491 -4.672 1.00 23.50 H new ATOM 0 HG13 VAL A 45 4.086 -11.033 -4.663 1.00 23.50 H new ATOM 0 HG21 VAL A 45 2.196 -12.428 -2.640 1.00 64.21 H new ATOM 0 HG22 VAL A 45 3.970 -12.502 -2.513 1.00 64.21 H new ATOM 0 HG23 VAL A 45 3.004 -11.906 -1.142 1.00 64.21 H new ATOM 720 N LYS A 46 5.450 -7.963 -3.483 1.00 43.24 N ATOM 721 CA LYS A 46 5.610 -6.582 -3.961 1.00 11.10 C ATOM 722 C LYS A 46 4.730 -6.277 -5.187 1.00 43.44 C ATOM 723 O LYS A 46 4.953 -6.804 -6.281 1.00 42.53 O ATOM 724 CB LYS A 46 7.087 -6.303 -4.299 1.00 30.44 C ATOM 725 CG LYS A 46 7.352 -4.888 -4.823 1.00 14.12 C ATOM 726 CD LYS A 46 8.832 -4.658 -5.131 1.00 61.12 C ATOM 727 CE LYS A 46 9.082 -3.278 -5.739 1.00 2.21 C ATOM 728 NZ LYS A 46 10.522 -3.059 -6.040 1.00 54.30 N ATOM 0 H LYS A 46 6.179 -8.601 -3.801 1.00 43.24 H new ATOM 0 HA LYS A 46 5.284 -5.927 -3.153 1.00 11.10 H new ATOM 0 HB2 LYS A 46 7.690 -6.467 -3.406 1.00 30.44 H new ATOM 0 HB3 LYS A 46 7.420 -7.024 -5.046 1.00 30.44 H new ATOM 0 HG2 LYS A 46 6.764 -4.720 -5.725 1.00 14.12 H new ATOM 0 HG3 LYS A 46 7.018 -4.160 -4.084 1.00 14.12 H new ATOM 0 HD2 LYS A 46 9.413 -4.761 -4.215 1.00 61.12 H new ATOM 0 HD3 LYS A 46 9.183 -5.427 -5.820 1.00 61.12 H new ATOM 0 HE2 LYS A 46 8.499 -3.173 -6.654 1.00 2.21 H new ATOM 0 HE3 LYS A 46 8.734 -2.509 -5.050 1.00 2.21 H new ATOM 0 HZ1 LYS A 46 10.651 -2.112 -6.451 1.00 54.30 H new ATOM 0 HZ2 LYS A 46 11.075 -3.134 -5.163 1.00 54.30 H new ATOM 0 HZ3 LYS A 46 10.848 -3.778 -6.717 1.00 54.30 H new ATOM 742 N LYS A 47 3.734 -5.415 -4.989 1.00 24.50 N ATOM 743 CA LYS A 47 2.864 -4.940 -6.076 1.00 11.02 C ATOM 744 C LYS A 47 2.875 -3.403 -6.142 1.00 53.34 C ATOM 745 O LYS A 47 3.379 -2.741 -5.233 1.00 13.53 O ATOM 746 CB LYS A 47 1.424 -5.439 -5.867 1.00 24.44 C ATOM 747 CG LYS A 47 1.303 -6.960 -5.806 1.00 13.33 C ATOM 748 CD LYS A 47 -0.145 -7.407 -5.620 1.00 22.31 C ATOM 749 CE LYS A 47 -0.262 -8.924 -5.522 1.00 54.15 C ATOM 750 NZ LYS A 47 -1.667 -9.367 -5.312 1.00 43.44 N ATOM 0 H LYS A 47 3.504 -5.024 -4.075 1.00 24.50 H new ATOM 0 HA LYS A 47 3.246 -5.338 -7.016 1.00 11.02 H new ATOM 0 HB2 LYS A 47 1.033 -5.015 -4.942 1.00 24.44 H new ATOM 0 HB3 LYS A 47 0.799 -5.066 -6.678 1.00 24.44 H new ATOM 0 HG2 LYS A 47 1.702 -7.393 -6.723 1.00 13.33 H new ATOM 0 HG3 LYS A 47 1.909 -7.340 -4.984 1.00 13.33 H new ATOM 0 HD2 LYS A 47 -0.553 -6.952 -4.717 1.00 22.31 H new ATOM 0 HD3 LYS A 47 -0.746 -7.050 -6.456 1.00 22.31 H new ATOM 0 HE2 LYS A 47 0.127 -9.376 -6.434 1.00 54.15 H new ATOM 0 HE3 LYS A 47 0.357 -9.282 -4.699 1.00 54.15 H new ATOM 0 HZ1 LYS A 47 -1.672 -10.295 -4.842 1.00 43.44 H new ATOM 0 HZ2 LYS A 47 -2.164 -8.675 -4.716 1.00 43.44 H new ATOM 0 HZ3 LYS A 47 -2.148 -9.442 -6.231 1.00 43.44 H new ATOM 764 N GLN A 48 2.319 -2.833 -7.208 1.00 21.44 N ATOM 765 CA GLN A 48 2.260 -1.372 -7.352 1.00 12.42 C ATOM 766 C GLN A 48 0.815 -0.860 -7.212 1.00 3.15 C ATOM 767 O GLN A 48 -0.011 -1.034 -8.110 1.00 24.23 O ATOM 768 CB GLN A 48 2.853 -0.949 -8.705 1.00 53.04 C ATOM 769 CG GLN A 48 2.953 0.563 -8.884 1.00 40.24 C ATOM 770 CD GLN A 48 3.615 0.968 -10.190 1.00 10.53 C ATOM 771 OE1 GLN A 48 2.958 1.149 -11.211 1.00 71.11 O ATOM 772 NE2 GLN A 48 4.924 1.118 -10.167 1.00 22.23 N ATOM 0 H GLN A 48 1.904 -3.352 -7.982 1.00 21.44 H new ATOM 0 HA GLN A 48 2.852 -0.926 -6.553 1.00 12.42 H new ATOM 0 HB2 GLN A 48 3.847 -1.385 -8.809 1.00 53.04 H new ATOM 0 HB3 GLN A 48 2.239 -1.361 -9.506 1.00 53.04 H new ATOM 0 HG2 GLN A 48 1.953 0.994 -8.842 1.00 40.24 H new ATOM 0 HG3 GLN A 48 3.517 0.984 -8.052 1.00 40.24 H new ATOM 0 HE21 GLN A 48 5.440 0.960 -9.302 1.00 22.23 H new ATOM 0 HE22 GLN A 48 5.421 1.392 -11.015 1.00 22.23 H new ATOM 781 N ILE A 49 0.518 -0.220 -6.081 1.00 24.31 N ATOM 782 CA ILE A 49 -0.847 0.238 -5.787 1.00 3.43 C ATOM 783 C ILE A 49 -0.969 1.769 -5.863 1.00 52.44 C ATOM 784 O ILE A 49 -0.094 2.505 -5.405 1.00 63.44 O ATOM 785 CB ILE A 49 -1.316 -0.247 -4.390 1.00 40.42 C ATOM 786 CG1 ILE A 49 -1.319 -1.786 -4.335 1.00 63.21 C ATOM 787 CG2 ILE A 49 -2.703 0.309 -4.055 1.00 21.23 C ATOM 788 CD1 ILE A 49 -1.795 -2.358 -3.014 1.00 74.30 C ATOM 0 H ILE A 49 1.200 -0.006 -5.353 1.00 24.31 H new ATOM 0 HA ILE A 49 -1.490 -0.198 -6.552 1.00 3.43 H new ATOM 0 HB ILE A 49 -0.616 0.127 -3.643 1.00 40.42 H new ATOM 0 HG12 ILE A 49 -1.956 -2.166 -5.134 1.00 63.21 H new ATOM 0 HG13 ILE A 49 -0.310 -2.148 -4.533 1.00 63.21 H new ATOM 0 HG21 ILE A 49 -3.009 -0.046 -3.071 1.00 21.23 H new ATOM 0 HG22 ILE A 49 -2.668 1.398 -4.053 1.00 21.23 H new ATOM 0 HG23 ILE A 49 -3.421 -0.030 -4.802 1.00 21.23 H new ATOM 0 HD11 ILE A 49 -1.767 -3.447 -3.058 1.00 74.30 H new ATOM 0 HD12 ILE A 49 -1.145 -2.010 -2.211 1.00 74.30 H new ATOM 0 HD13 ILE A 49 -2.816 -2.029 -2.822 1.00 74.30 H new ATOM 800 N THR A 50 -2.072 2.234 -6.445 1.00 73.12 N ATOM 801 CA THR A 50 -2.347 3.670 -6.573 1.00 33.13 C ATOM 802 C THR A 50 -3.462 4.098 -5.613 1.00 33.15 C ATOM 803 O THR A 50 -4.604 3.656 -5.741 1.00 42.41 O ATOM 804 CB THR A 50 -2.771 4.037 -8.017 1.00 24.15 C ATOM 805 OG1 THR A 50 -1.771 3.603 -8.952 1.00 75.25 O ATOM 806 CG2 THR A 50 -2.987 5.542 -8.161 1.00 11.12 C ATOM 0 H THR A 50 -2.797 1.635 -6.839 1.00 73.12 H new ATOM 0 HA THR A 50 -1.424 4.194 -6.325 1.00 33.13 H new ATOM 0 HB THR A 50 -3.712 3.530 -8.229 1.00 24.15 H new ATOM 0 HG1 THR A 50 -1.107 4.313 -9.074 1.00 75.25 H new ATOM 0 HG21 THR A 50 -3.284 5.771 -9.185 1.00 11.12 H new ATOM 0 HG22 THR A 50 -3.771 5.864 -7.475 1.00 11.12 H new ATOM 0 HG23 THR A 50 -2.061 6.067 -7.926 1.00 11.12 H new ATOM 814 N PHE A 51 -3.134 4.957 -4.652 1.00 41.45 N ATOM 815 CA PHE A 51 -4.122 5.442 -3.685 1.00 11.02 C ATOM 816 C PHE A 51 -4.424 6.933 -3.898 1.00 71.34 C ATOM 817 O PHE A 51 -3.607 7.678 -4.442 1.00 71.25 O ATOM 818 CB PHE A 51 -3.645 5.191 -2.242 1.00 51.25 C ATOM 819 CG PHE A 51 -2.369 5.909 -1.871 1.00 23.22 C ATOM 820 CD1 PHE A 51 -1.133 5.369 -2.196 1.00 72.11 C ATOM 821 CD2 PHE A 51 -2.407 7.119 -1.188 1.00 40.14 C ATOM 822 CE1 PHE A 51 0.035 6.021 -1.851 1.00 32.11 C ATOM 823 CE2 PHE A 51 -1.241 7.773 -0.844 1.00 32.01 C ATOM 824 CZ PHE A 51 -0.018 7.224 -1.175 1.00 51.44 C ATOM 0 H PHE A 51 -2.195 5.333 -4.520 1.00 41.45 H new ATOM 0 HA PHE A 51 -5.044 4.884 -3.847 1.00 11.02 H new ATOM 0 HB2 PHE A 51 -4.433 5.497 -1.554 1.00 51.25 H new ATOM 0 HB3 PHE A 51 -3.498 4.120 -2.102 1.00 51.25 H new ATOM 0 HD1 PHE A 51 -1.083 4.428 -2.725 1.00 72.11 H new ATOM 0 HD2 PHE A 51 -3.360 7.553 -0.923 1.00 40.14 H new ATOM 0 HE1 PHE A 51 0.991 5.589 -2.110 1.00 32.11 H new ATOM 0 HE2 PHE A 51 -1.285 8.714 -0.316 1.00 32.01 H new ATOM 0 HZ PHE A 51 0.895 7.734 -0.906 1.00 51.44 H new ATOM 834 N ARG A 52 -5.608 7.360 -3.473 1.00 71.15 N ATOM 835 CA ARG A 52 -6.037 8.749 -3.652 1.00 31.30 C ATOM 836 C ARG A 52 -5.635 9.622 -2.449 1.00 63.32 C ATOM 837 O ARG A 52 -4.598 10.284 -2.473 1.00 1.41 O ATOM 838 CB ARG A 52 -7.556 8.798 -3.882 1.00 41.20 C ATOM 839 CG ARG A 52 -8.005 8.025 -5.120 1.00 73.14 C ATOM 840 CD ARG A 52 -9.524 7.979 -5.255 1.00 64.24 C ATOM 841 NE ARG A 52 -10.164 7.212 -4.181 1.00 51.13 N ATOM 842 CZ ARG A 52 -11.138 6.360 -4.372 1.00 0.55 C ATOM 843 NH1 ARG A 52 -11.578 6.129 -5.567 1.00 2.22 N ATOM 844 NH2 ARG A 52 -11.674 5.744 -3.368 1.00 32.23 N ATOM 0 H ARG A 52 -6.291 6.767 -3.001 1.00 71.15 H new ATOM 0 HA ARG A 52 -5.532 9.155 -4.528 1.00 31.30 H new ATOM 0 HB2 ARG A 52 -8.062 8.393 -3.006 1.00 41.20 H new ATOM 0 HB3 ARG A 52 -7.868 9.838 -3.978 1.00 41.20 H new ATOM 0 HG2 ARG A 52 -7.577 8.488 -6.009 1.00 73.14 H new ATOM 0 HG3 ARG A 52 -7.616 7.008 -5.071 1.00 73.14 H new ATOM 0 HD2 ARG A 52 -9.916 8.996 -5.253 1.00 64.24 H new ATOM 0 HD3 ARG A 52 -9.786 7.538 -6.217 1.00 64.24 H new ATOM 0 HE ARG A 52 -9.829 7.351 -3.228 1.00 51.13 H new ATOM 0 HH11 ARG A 52 -11.165 6.612 -6.365 1.00 2.22 H new ATOM 0 HH12 ARG A 52 -12.338 5.464 -5.711 1.00 2.22 H new ATOM 0 HH21 ARG A 52 -11.337 5.922 -2.422 1.00 32.23 H new ATOM 0 HH22 ARG A 52 -12.433 5.081 -3.523 1.00 32.23 H new ATOM 858 N SER A 53 -6.452 9.596 -1.392 1.00 73.44 N ATOM 859 CA SER A 53 -6.195 10.385 -0.175 1.00 12.52 C ATOM 860 C SER A 53 -7.309 10.176 0.864 1.00 14.31 C ATOM 861 O SER A 53 -8.259 9.422 0.632 1.00 61.24 O ATOM 862 CB SER A 53 -6.074 11.885 -0.497 1.00 33.02 C ATOM 863 OG SER A 53 -7.264 12.392 -1.079 1.00 52.44 O ATOM 0 H SER A 53 -7.303 9.035 -1.351 1.00 73.44 H new ATOM 0 HA SER A 53 -5.249 10.036 0.240 1.00 12.52 H new ATOM 0 HB2 SER A 53 -5.851 12.437 0.416 1.00 33.02 H new ATOM 0 HB3 SER A 53 -5.238 12.045 -1.178 1.00 33.02 H new ATOM 0 HG SER A 53 -7.154 13.347 -1.269 1.00 52.44 H new ATOM 869 N THR A 54 -7.187 10.847 2.006 1.00 42.51 N ATOM 870 CA THR A 54 -8.170 10.736 3.088 1.00 43.30 C ATOM 871 C THR A 54 -9.326 11.737 2.920 1.00 62.11 C ATOM 872 O THR A 54 -9.161 12.938 3.136 1.00 41.32 O ATOM 873 CB THR A 54 -7.501 10.960 4.464 1.00 25.12 C ATOM 874 OG1 THR A 54 -6.754 12.190 4.461 1.00 55.15 O ATOM 875 CG2 THR A 54 -6.568 9.806 4.814 1.00 45.10 C ATOM 0 H THR A 54 -6.412 11.479 2.210 1.00 42.51 H new ATOM 0 HA THR A 54 -8.578 9.726 3.039 1.00 43.30 H new ATOM 0 HB THR A 54 -8.291 11.013 5.213 1.00 25.12 H new ATOM 0 HG1 THR A 54 -6.710 12.548 5.372 1.00 55.15 H new ATOM 0 HG21 THR A 54 -6.111 9.990 5.786 1.00 45.10 H new ATOM 0 HG22 THR A 54 -7.136 8.877 4.850 1.00 45.10 H new ATOM 0 HG23 THR A 54 -5.789 9.726 4.056 1.00 45.10 H new ATOM 883 N LYS A 55 -10.499 11.235 2.518 1.00 75.31 N ATOM 884 CA LYS A 55 -11.690 12.085 2.325 1.00 2.42 C ATOM 885 C LYS A 55 -12.614 12.096 3.559 1.00 42.50 C ATOM 886 O LYS A 55 -13.386 13.034 3.751 1.00 45.12 O ATOM 887 CB LYS A 55 -12.502 11.629 1.095 1.00 45.34 C ATOM 888 CG LYS A 55 -11.879 11.981 -0.257 1.00 73.31 C ATOM 889 CD LYS A 55 -10.647 11.143 -0.576 1.00 71.15 C ATOM 890 CE LYS A 55 -10.038 11.526 -1.921 1.00 73.44 C ATOM 891 NZ LYS A 55 -11.009 11.377 -3.039 1.00 71.12 N ATOM 0 H LYS A 55 -10.654 10.247 2.319 1.00 75.31 H new ATOM 0 HA LYS A 55 -11.317 13.097 2.168 1.00 2.42 H new ATOM 0 HB2 LYS A 55 -12.635 10.548 1.147 1.00 45.34 H new ATOM 0 HB3 LYS A 55 -13.495 12.075 1.148 1.00 45.34 H new ATOM 0 HG2 LYS A 55 -12.622 11.840 -1.042 1.00 73.31 H new ATOM 0 HG3 LYS A 55 -11.606 13.036 -0.262 1.00 73.31 H new ATOM 0 HD2 LYS A 55 -9.904 11.274 0.211 1.00 71.15 H new ATOM 0 HD3 LYS A 55 -10.918 10.087 -0.586 1.00 71.15 H new ATOM 0 HE2 LYS A 55 -9.689 12.558 -1.880 1.00 73.44 H new ATOM 0 HE3 LYS A 55 -9.165 10.902 -2.114 1.00 73.44 H new ATOM 0 HZ1 LYS A 55 -10.504 11.432 -3.947 1.00 71.12 H new ATOM 0 HZ2 LYS A 55 -11.487 10.456 -2.963 1.00 71.12 H new ATOM 0 HZ3 LYS A 55 -11.715 12.139 -2.989 1.00 71.12 H new ATOM 905 N LYS A 56 -12.538 11.063 4.394 1.00 21.14 N ATOM 906 CA LYS A 56 -13.449 10.930 5.544 1.00 30.32 C ATOM 907 C LYS A 56 -12.843 11.557 6.809 1.00 74.43 C ATOM 908 O LYS A 56 -13.529 11.754 7.817 1.00 60.44 O ATOM 909 CB LYS A 56 -13.769 9.449 5.819 1.00 40.23 C ATOM 910 CG LYS A 56 -14.441 8.696 4.664 1.00 34.52 C ATOM 911 CD LYS A 56 -13.469 8.355 3.532 1.00 12.25 C ATOM 912 CE LYS A 56 -12.284 7.525 4.022 1.00 54.32 C ATOM 913 NZ LYS A 56 -12.714 6.285 4.723 1.00 35.45 N ATOM 0 H LYS A 56 -11.861 10.306 4.303 1.00 21.14 H new ATOM 0 HA LYS A 56 -14.368 11.459 5.291 1.00 30.32 H new ATOM 0 HB2 LYS A 56 -12.842 8.936 6.074 1.00 40.23 H new ATOM 0 HB3 LYS A 56 -14.417 9.391 6.694 1.00 40.23 H new ATOM 0 HG2 LYS A 56 -14.884 7.776 5.045 1.00 34.52 H new ATOM 0 HG3 LYS A 56 -15.256 9.302 4.267 1.00 34.52 H new ATOM 0 HD2 LYS A 56 -13.998 7.806 2.753 1.00 12.25 H new ATOM 0 HD3 LYS A 56 -13.103 9.276 3.079 1.00 12.25 H new ATOM 0 HE2 LYS A 56 -11.653 7.260 3.173 1.00 54.32 H new ATOM 0 HE3 LYS A 56 -11.675 8.128 4.696 1.00 54.32 H new ATOM 0 HZ1 LYS A 56 -11.886 5.682 4.902 1.00 35.45 H new ATOM 0 HZ2 LYS A 56 -13.162 6.535 5.628 1.00 35.45 H new ATOM 0 HZ3 LYS A 56 -13.396 5.770 4.130 1.00 35.45 H new ATOM 927 N GLU A 57 -11.552 11.856 6.749 1.00 14.53 N ATOM 928 CA GLU A 57 -10.809 12.366 7.901 1.00 1.35 C ATOM 929 C GLU A 57 -9.843 13.494 7.502 1.00 3.04 C ATOM 930 O GLU A 57 -9.931 14.043 6.400 1.00 12.35 O ATOM 931 CB GLU A 57 -10.043 11.211 8.578 1.00 55.12 C ATOM 932 CG GLU A 57 -9.207 10.347 7.626 1.00 42.42 C ATOM 933 CD GLU A 57 -10.049 9.429 6.740 1.00 70.32 C ATOM 934 OE1 GLU A 57 -10.499 8.368 7.232 1.00 23.31 O ATOM 935 OE2 GLU A 57 -10.271 9.764 5.554 1.00 41.31 O ATOM 0 H GLU A 57 -10.989 11.753 5.905 1.00 14.53 H new ATOM 0 HA GLU A 57 -11.525 12.788 8.607 1.00 1.35 H new ATOM 0 HB2 GLU A 57 -9.385 11.628 9.340 1.00 55.12 H new ATOM 0 HB3 GLU A 57 -10.760 10.571 9.092 1.00 55.12 H new ATOM 0 HG2 GLU A 57 -8.604 10.997 6.993 1.00 42.42 H new ATOM 0 HG3 GLU A 57 -8.515 9.741 8.211 1.00 42.42 H new ATOM 942 N ASN A 58 -8.941 13.856 8.415 1.00 35.20 N ATOM 943 CA ASN A 58 -7.954 14.914 8.163 1.00 50.22 C ATOM 944 C ASN A 58 -7.103 14.628 6.911 1.00 74.21 C ATOM 945 O ASN A 58 -6.376 13.635 6.854 1.00 51.02 O ATOM 946 CB ASN A 58 -7.037 15.080 9.386 1.00 2.52 C ATOM 947 CG ASN A 58 -7.754 15.670 10.586 1.00 53.24 C ATOM 948 OD1 ASN A 58 -8.966 15.542 10.735 1.00 1.42 O ATOM 949 ND2 ASN A 58 -7.007 16.315 11.461 1.00 51.41 N ATOM 0 H ASN A 58 -8.871 13.432 9.340 1.00 35.20 H new ATOM 0 HA ASN A 58 -8.505 15.837 7.984 1.00 50.22 H new ATOM 0 HB2 ASN A 58 -6.623 14.109 9.658 1.00 2.52 H new ATOM 0 HB3 ASN A 58 -6.197 15.721 9.120 1.00 2.52 H new ATOM 0 HD21 ASN A 58 -7.434 16.725 12.292 1.00 51.41 H new ATOM 0 HD22 ASN A 58 -6.003 16.403 11.307 1.00 51.41 H new ATOM 956 N ASP A 59 -7.206 15.500 5.907 1.00 0.32 N ATOM 957 CA ASP A 59 -6.368 15.399 4.709 1.00 41.34 C ATOM 958 C ASP A 59 -4.937 15.880 5.012 1.00 55.55 C ATOM 959 O ASP A 59 -4.676 16.412 6.096 1.00 22.12 O ATOM 960 CB ASP A 59 -6.988 16.210 3.568 1.00 44.03 C ATOM 961 CG ASP A 59 -7.119 17.679 3.918 1.00 51.51 C ATOM 962 OD1 ASP A 59 -7.961 18.018 4.774 1.00 30.42 O ATOM 963 OD2 ASP A 59 -6.365 18.499 3.358 1.00 11.12 O ATOM 0 H ASP A 59 -7.860 16.283 5.898 1.00 0.32 H new ATOM 0 HA ASP A 59 -6.314 14.355 4.401 1.00 41.34 H new ATOM 0 HB2 ASP A 59 -6.374 16.104 2.674 1.00 44.03 H new ATOM 0 HB3 ASP A 59 -7.972 15.806 3.329 1.00 44.03 H new ATOM 968 N HIS A 60 -4.018 15.710 4.054 1.00 1.14 N ATOM 969 CA HIS A 60 -2.584 15.967 4.290 1.00 74.14 C ATOM 970 C HIS A 60 -2.018 15.020 5.363 1.00 12.22 C ATOM 971 O HIS A 60 -0.955 15.270 5.932 1.00 54.52 O ATOM 972 CB HIS A 60 -2.338 17.430 4.701 1.00 72.32 C ATOM 973 CG HIS A 60 -2.521 18.417 3.588 1.00 12.12 C ATOM 974 ND1 HIS A 60 -3.696 19.092 3.361 1.00 63.12 N ATOM 975 CD2 HIS A 60 -1.654 18.853 2.645 1.00 60.13 C ATOM 976 CE1 HIS A 60 -3.546 19.903 2.335 1.00 14.24 C ATOM 977 NE2 HIS A 60 -2.315 19.780 1.878 1.00 54.12 N ATOM 0 H HIS A 60 -4.237 15.396 3.108 1.00 1.14 H new ATOM 0 HA HIS A 60 -2.065 15.779 3.350 1.00 74.14 H new ATOM 0 HB2 HIS A 60 -3.016 17.686 5.515 1.00 72.32 H new ATOM 0 HB3 HIS A 60 -1.324 17.521 5.090 1.00 72.32 H new ATOM 0 HD1 HIS A 60 -4.553 18.982 3.904 1.00 63.12 H new ATOM 0 HD2 HIS A 60 -0.631 18.531 2.519 1.00 60.13 H new ATOM 0 HE1 HIS A 60 -4.304 20.559 1.934 1.00 14.24 H new ATOM 986 N LYS A 61 -2.733 13.922 5.619 1.00 34.10 N ATOM 987 CA LYS A 61 -2.318 12.935 6.625 1.00 34.32 C ATOM 988 C LYS A 61 -1.061 12.166 6.186 1.00 3.31 C ATOM 989 O LYS A 61 -0.345 11.614 7.018 1.00 43.43 O ATOM 990 CB LYS A 61 -3.466 11.945 6.899 1.00 53.54 C ATOM 991 CG LYS A 61 -3.177 10.880 7.972 1.00 62.14 C ATOM 992 CD LYS A 61 -3.256 11.431 9.404 1.00 54.44 C ATOM 993 CE LYS A 61 -2.038 12.266 9.797 1.00 15.54 C ATOM 994 NZ LYS A 61 -0.775 11.478 9.764 1.00 33.32 N ATOM 0 H LYS A 61 -3.605 13.691 5.143 1.00 34.10 H new ATOM 0 HA LYS A 61 -2.076 13.478 7.539 1.00 34.32 H new ATOM 0 HB2 LYS A 61 -4.347 12.511 7.201 1.00 53.54 H new ATOM 0 HB3 LYS A 61 -3.717 11.439 5.967 1.00 53.54 H new ATOM 0 HG2 LYS A 61 -3.889 10.062 7.864 1.00 62.14 H new ATOM 0 HG3 LYS A 61 -2.184 10.463 7.804 1.00 62.14 H new ATOM 0 HD2 LYS A 61 -4.154 12.041 9.502 1.00 54.44 H new ATOM 0 HD3 LYS A 61 -3.358 10.599 10.101 1.00 54.44 H new ATOM 0 HE2 LYS A 61 -1.950 13.116 9.121 1.00 15.54 H new ATOM 0 HE3 LYS A 61 -2.185 12.669 10.799 1.00 15.54 H new ATOM 0 HZ1 LYS A 61 0.034 12.112 9.921 1.00 33.32 H new ATOM 0 HZ2 LYS A 61 -0.798 10.754 10.510 1.00 33.32 H new ATOM 0 HZ3 LYS A 61 -0.678 11.017 8.837 1.00 33.32 H new ATOM 1008 N LEU A 62 -0.804 12.140 4.877 1.00 12.22 N ATOM 1009 CA LEU A 62 0.345 11.412 4.323 1.00 10.11 C ATOM 1010 C LEU A 62 1.674 11.912 4.912 1.00 61.42 C ATOM 1011 O LEU A 62 2.238 12.912 4.463 1.00 14.43 O ATOM 1012 CB LEU A 62 0.362 11.532 2.791 1.00 31.31 C ATOM 1013 CG LEU A 62 -0.882 10.973 2.077 1.00 22.21 C ATOM 1014 CD1 LEU A 62 -0.762 11.143 0.564 1.00 72.11 C ATOM 1015 CD2 LEU A 62 -1.104 9.504 2.444 1.00 24.31 C ATOM 0 H LEU A 62 -1.375 12.615 4.178 1.00 12.22 H new ATOM 0 HA LEU A 62 0.236 10.363 4.599 1.00 10.11 H new ATOM 0 HB2 LEU A 62 0.472 12.584 2.526 1.00 31.31 H new ATOM 0 HB3 LEU A 62 1.243 11.014 2.411 1.00 31.31 H new ATOM 0 HG LEU A 62 -1.750 11.541 2.413 1.00 22.21 H new ATOM 0 HD11 LEU A 62 -1.652 10.741 0.081 1.00 72.11 H new ATOM 0 HD12 LEU A 62 -0.665 12.202 0.323 1.00 72.11 H new ATOM 0 HD13 LEU A 62 0.118 10.608 0.206 1.00 72.11 H new ATOM 0 HD21 LEU A 62 -1.988 9.130 1.928 1.00 24.31 H new ATOM 0 HD22 LEU A 62 -0.234 8.919 2.145 1.00 24.31 H new ATOM 0 HD23 LEU A 62 -1.248 9.416 3.521 1.00 24.31 H new ATOM 1027 N ASN A 63 2.150 11.210 5.933 1.00 43.13 N ATOM 1028 CA ASN A 63 3.389 11.569 6.619 1.00 12.10 C ATOM 1029 C ASN A 63 4.609 10.930 5.922 1.00 63.33 C ATOM 1030 O ASN A 63 4.646 9.721 5.692 1.00 0.22 O ATOM 1031 CB ASN A 63 3.300 11.117 8.086 1.00 74.11 C ATOM 1032 CG ASN A 63 4.323 11.788 8.986 1.00 23.45 C ATOM 1033 OD1 ASN A 63 5.411 12.159 8.559 1.00 45.22 O ATOM 1034 ND2 ASN A 63 3.977 11.952 10.245 1.00 63.32 N ATOM 0 H ASN A 63 1.692 10.380 6.309 1.00 43.13 H new ATOM 0 HA ASN A 63 3.520 12.650 6.582 1.00 12.10 H new ATOM 0 HB2 ASN A 63 2.300 11.329 8.464 1.00 74.11 H new ATOM 0 HB3 ASN A 63 3.437 10.037 8.135 1.00 74.11 H new ATOM 0 HD21 ASN A 63 4.622 12.399 10.897 1.00 63.32 H new ATOM 0 HD22 ASN A 63 3.064 11.632 10.569 1.00 63.32 H new ATOM 1041 N LYS A 64 5.595 11.753 5.577 1.00 23.42 N ATOM 1042 CA LYS A 64 6.822 11.278 4.923 1.00 73.34 C ATOM 1043 C LYS A 64 7.511 10.154 5.722 1.00 40.35 C ATOM 1044 O LYS A 64 7.714 10.268 6.932 1.00 71.52 O ATOM 1045 CB LYS A 64 7.790 12.450 4.703 1.00 52.22 C ATOM 1046 CG LYS A 64 8.001 13.327 5.939 1.00 23.11 C ATOM 1047 CD LYS A 64 8.911 14.519 5.644 1.00 53.42 C ATOM 1048 CE LYS A 64 10.358 14.098 5.416 1.00 75.12 C ATOM 1049 NZ LYS A 64 11.005 13.644 6.676 1.00 44.01 N ATOM 0 H LYS A 64 5.572 12.760 5.739 1.00 23.42 H new ATOM 0 HA LYS A 64 6.537 10.858 3.958 1.00 73.34 H new ATOM 0 HB2 LYS A 64 8.754 12.056 4.382 1.00 52.22 H new ATOM 0 HB3 LYS A 64 7.413 13.071 3.890 1.00 52.22 H new ATOM 0 HG2 LYS A 64 7.037 13.687 6.298 1.00 23.11 H new ATOM 0 HG3 LYS A 64 8.436 12.728 6.739 1.00 23.11 H new ATOM 0 HD2 LYS A 64 8.544 15.044 4.762 1.00 53.42 H new ATOM 0 HD3 LYS A 64 8.866 15.222 6.475 1.00 53.42 H new ATOM 0 HE2 LYS A 64 10.391 13.295 4.680 1.00 75.12 H new ATOM 0 HE3 LYS A 64 10.919 14.935 5.000 1.00 75.12 H new ATOM 0 HZ1 LYS A 64 11.741 14.324 6.953 1.00 44.01 H new ATOM 0 HZ2 LYS A 64 10.291 13.581 7.430 1.00 44.01 H new ATOM 0 HZ3 LYS A 64 11.436 12.709 6.528 1.00 44.01 H new ATOM 1063 N TYR A 65 7.857 9.066 5.026 1.00 51.10 N ATOM 1064 CA TYR A 65 8.534 7.907 5.631 1.00 23.31 C ATOM 1065 C TYR A 65 7.635 7.159 6.637 1.00 21.23 C ATOM 1066 O TYR A 65 8.113 6.319 7.401 1.00 31.42 O ATOM 1067 CB TYR A 65 9.858 8.327 6.297 1.00 60.04 C ATOM 1068 CG TYR A 65 10.851 8.944 5.328 1.00 3.42 C ATOM 1069 CD1 TYR A 65 11.441 8.180 4.326 1.00 25.01 C ATOM 1070 CD2 TYR A 65 11.193 10.290 5.409 1.00 21.23 C ATOM 1071 CE1 TYR A 65 12.339 8.737 3.437 1.00 54.45 C ATOM 1072 CE2 TYR A 65 12.092 10.854 4.523 1.00 42.03 C ATOM 1073 CZ TYR A 65 12.663 10.074 3.539 1.00 11.24 C ATOM 1074 OH TYR A 65 13.554 10.633 2.650 1.00 52.55 O ATOM 0 H TYR A 65 7.677 8.961 4.028 1.00 51.10 H new ATOM 0 HA TYR A 65 8.755 7.214 4.819 1.00 23.31 H new ATOM 0 HB2 TYR A 65 9.646 9.042 7.092 1.00 60.04 H new ATOM 0 HB3 TYR A 65 10.313 7.455 6.766 1.00 60.04 H new ATOM 0 HD1 TYR A 65 11.192 7.132 4.242 1.00 25.01 H new ATOM 0 HD2 TYR A 65 10.748 10.905 6.177 1.00 21.23 H new ATOM 0 HE1 TYR A 65 12.786 8.128 2.665 1.00 54.45 H new ATOM 0 HE2 TYR A 65 12.346 11.901 4.601 1.00 42.03 H new ATOM 0 HH TYR A 65 13.672 11.583 2.859 1.00 52.55 H new ATOM 1084 N ALA A 66 6.337 7.457 6.626 1.00 71.11 N ATOM 1085 CA ALA A 66 5.369 6.730 7.454 1.00 74.12 C ATOM 1086 C ALA A 66 4.877 5.471 6.735 1.00 41.50 C ATOM 1087 O ALA A 66 4.812 5.432 5.504 1.00 54.22 O ATOM 1088 CB ALA A 66 4.188 7.623 7.815 1.00 14.33 C ATOM 0 H ALA A 66 5.929 8.196 6.054 1.00 71.11 H new ATOM 0 HA ALA A 66 5.872 6.431 8.373 1.00 74.12 H new ATOM 0 HB1 ALA A 66 3.483 7.063 8.429 1.00 14.33 H new ATOM 0 HB2 ALA A 66 4.544 8.490 8.371 1.00 14.33 H new ATOM 0 HB3 ALA A 66 3.691 7.955 6.904 1.00 14.33 H new ATOM 1094 N PHE A 67 4.535 4.445 7.501 1.00 64.12 N ATOM 1095 CA PHE A 67 4.043 3.190 6.932 1.00 72.15 C ATOM 1096 C PHE A 67 2.510 3.145 6.952 1.00 21.21 C ATOM 1097 O PHE A 67 1.871 3.829 7.747 1.00 21.01 O ATOM 1098 CB PHE A 67 4.628 1.998 7.699 1.00 63.34 C ATOM 1099 CG PHE A 67 6.133 1.926 7.632 1.00 1.22 C ATOM 1100 CD1 PHE A 67 6.919 2.619 8.543 1.00 62.12 C ATOM 1101 CD2 PHE A 67 6.761 1.172 6.651 1.00 31.12 C ATOM 1102 CE1 PHE A 67 8.297 2.559 8.476 1.00 50.11 C ATOM 1103 CE2 PHE A 67 8.139 1.111 6.581 1.00 30.20 C ATOM 1104 CZ PHE A 67 8.908 1.805 7.494 1.00 44.22 C ATOM 0 H PHE A 67 4.588 4.453 8.520 1.00 64.12 H new ATOM 0 HA PHE A 67 4.367 3.131 5.893 1.00 72.15 H new ATOM 0 HB2 PHE A 67 4.320 2.060 8.743 1.00 63.34 H new ATOM 0 HB3 PHE A 67 4.209 1.075 7.297 1.00 63.34 H new ATOM 0 HD1 PHE A 67 6.447 3.212 9.313 1.00 62.12 H new ATOM 0 HD2 PHE A 67 6.165 0.627 5.934 1.00 31.12 H new ATOM 0 HE1 PHE A 67 8.897 3.102 9.192 1.00 50.11 H new ATOM 0 HE2 PHE A 67 8.615 0.521 5.812 1.00 30.20 H new ATOM 0 HZ PHE A 67 9.986 1.758 7.440 1.00 44.22 H new ATOM 1114 N LEU A 68 1.927 2.337 6.074 1.00 50.20 N ATOM 1115 CA LEU A 68 0.467 2.241 5.944 1.00 23.33 C ATOM 1116 C LEU A 68 0.004 0.778 5.860 1.00 35.25 C ATOM 1117 O LEU A 68 0.694 -0.074 5.295 1.00 54.32 O ATOM 1118 CB LEU A 68 -0.010 2.990 4.685 1.00 55.20 C ATOM 1119 CG LEU A 68 0.291 4.500 4.641 1.00 72.22 C ATOM 1120 CD1 LEU A 68 -0.162 5.100 3.310 1.00 1.14 C ATOM 1121 CD2 LEU A 68 -0.376 5.222 5.810 1.00 32.34 C ATOM 0 H LEU A 68 2.443 1.732 5.434 1.00 50.20 H new ATOM 0 HA LEU A 68 0.032 2.696 6.834 1.00 23.33 H new ATOM 0 HB2 LEU A 68 0.449 2.523 3.813 1.00 55.20 H new ATOM 0 HB3 LEU A 68 -1.087 2.852 4.591 1.00 55.20 H new ATOM 0 HG LEU A 68 1.369 4.634 4.730 1.00 72.22 H new ATOM 0 HD11 LEU A 68 0.059 6.167 3.298 1.00 1.14 H new ATOM 0 HD12 LEU A 68 0.366 4.611 2.492 1.00 1.14 H new ATOM 0 HD13 LEU A 68 -1.235 4.950 3.190 1.00 1.14 H new ATOM 0 HD21 LEU A 68 -0.149 6.287 5.757 1.00 32.34 H new ATOM 0 HD22 LEU A 68 -1.455 5.078 5.758 1.00 32.34 H new ATOM 0 HD23 LEU A 68 -0.000 4.817 6.750 1.00 32.34 H new ATOM 1133 N ARG A 69 -1.179 0.504 6.404 1.00 62.30 N ATOM 1134 CA ARG A 69 -1.801 -0.815 6.290 1.00 54.14 C ATOM 1135 C ARG A 69 -3.070 -0.709 5.431 1.00 4.11 C ATOM 1136 O ARG A 69 -4.035 -0.039 5.805 1.00 14.24 O ATOM 1137 CB ARG A 69 -2.130 -1.359 7.691 1.00 61.35 C ATOM 1138 CG ARG A 69 -2.798 -2.732 7.690 1.00 15.00 C ATOM 1139 CD ARG A 69 -3.020 -3.258 9.109 1.00 24.33 C ATOM 1140 NE ARG A 69 -1.760 -3.569 9.791 1.00 11.03 N ATOM 1141 CZ ARG A 69 -1.451 -3.170 10.997 1.00 14.32 C ATOM 1142 NH1 ARG A 69 -2.265 -2.431 11.683 1.00 14.30 N ATOM 1143 NH2 ARG A 69 -0.326 -3.529 11.527 1.00 55.15 N ATOM 0 H ARG A 69 -1.730 1.181 6.931 1.00 62.30 H new ATOM 0 HA ARG A 69 -1.111 -1.508 5.808 1.00 54.14 H new ATOM 0 HB2 ARG A 69 -1.209 -1.416 8.271 1.00 61.35 H new ATOM 0 HB3 ARG A 69 -2.784 -0.650 8.199 1.00 61.35 H new ATOM 0 HG2 ARG A 69 -3.755 -2.670 7.172 1.00 15.00 H new ATOM 0 HG3 ARG A 69 -2.179 -3.437 7.134 1.00 15.00 H new ATOM 0 HD2 ARG A 69 -3.570 -2.516 9.687 1.00 24.33 H new ATOM 0 HD3 ARG A 69 -3.640 -4.154 9.069 1.00 24.33 H new ATOM 0 HE ARG A 69 -1.077 -4.136 9.289 1.00 11.03 H new ATOM 0 HH11 ARG A 69 -3.161 -2.153 11.283 1.00 14.30 H new ATOM 0 HH12 ARG A 69 -2.010 -2.128 12.623 1.00 14.30 H new ATOM 0 HH21 ARG A 69 0.318 -4.122 11.004 1.00 55.15 H new ATOM 0 HH22 ARG A 69 -0.083 -3.219 12.468 1.00 55.15 H new ATOM 1157 N LEU A 70 -3.052 -1.378 4.282 1.00 21.15 N ATOM 1158 CA LEU A 70 -4.097 -1.235 3.261 1.00 50.41 C ATOM 1159 C LEU A 70 -5.166 -2.329 3.385 1.00 40.20 C ATOM 1160 O LEU A 70 -4.850 -3.519 3.473 1.00 72.14 O ATOM 1161 CB LEU A 70 -3.475 -1.268 1.849 1.00 52.13 C ATOM 1162 CG LEU A 70 -2.592 -0.057 1.464 1.00 33.14 C ATOM 1163 CD1 LEU A 70 -1.391 0.087 2.394 1.00 24.31 C ATOM 1164 CD2 LEU A 70 -2.128 -0.166 0.013 1.00 44.33 C ATOM 0 H LEU A 70 -2.315 -2.036 4.028 1.00 21.15 H new ATOM 0 HA LEU A 70 -4.581 -0.272 3.422 1.00 50.41 H new ATOM 0 HB2 LEU A 70 -2.874 -2.173 1.760 1.00 52.13 H new ATOM 0 HB3 LEU A 70 -4.282 -1.349 1.121 1.00 52.13 H new ATOM 0 HG LEU A 70 -3.205 0.838 1.572 1.00 33.14 H new ATOM 0 HD11 LEU A 70 -0.797 0.949 2.090 1.00 24.31 H new ATOM 0 HD12 LEU A 70 -1.738 0.229 3.417 1.00 24.31 H new ATOM 0 HD13 LEU A 70 -0.779 -0.813 2.340 1.00 24.31 H new ATOM 0 HD21 LEU A 70 -1.509 0.696 -0.237 1.00 44.33 H new ATOM 0 HD22 LEU A 70 -1.548 -1.080 -0.116 1.00 44.33 H new ATOM 0 HD23 LEU A 70 -2.996 -0.192 -0.646 1.00 44.33 H new ATOM 1176 N TYR A 71 -6.432 -1.912 3.366 1.00 12.20 N ATOM 1177 CA TYR A 71 -7.568 -2.820 3.564 1.00 34.31 C ATOM 1178 C TYR A 71 -8.417 -2.972 2.291 1.00 54.12 C ATOM 1179 O TYR A 71 -8.908 -1.987 1.733 1.00 41.11 O ATOM 1180 CB TYR A 71 -8.458 -2.303 4.705 1.00 41.33 C ATOM 1181 CG TYR A 71 -7.729 -2.141 6.028 1.00 60.11 C ATOM 1182 CD1 TYR A 71 -7.347 -3.250 6.780 1.00 52.31 C ATOM 1183 CD2 TYR A 71 -7.416 -0.878 6.522 1.00 75.41 C ATOM 1184 CE1 TYR A 71 -6.679 -3.103 7.982 1.00 53.44 C ATOM 1185 CE2 TYR A 71 -6.749 -0.725 7.722 1.00 22.11 C ATOM 1186 CZ TYR A 71 -6.382 -1.838 8.448 1.00 24.22 C ATOM 1187 OH TYR A 71 -5.716 -1.685 9.644 1.00 21.43 O ATOM 0 H TYR A 71 -6.701 -0.940 3.214 1.00 12.20 H new ATOM 0 HA TYR A 71 -7.160 -3.799 3.816 1.00 34.31 H new ATOM 0 HB2 TYR A 71 -8.882 -1.342 4.415 1.00 41.33 H new ATOM 0 HB3 TYR A 71 -9.292 -2.991 4.843 1.00 41.33 H new ATOM 0 HD1 TYR A 71 -7.576 -4.241 6.418 1.00 52.31 H new ATOM 0 HD2 TYR A 71 -7.700 -0.002 5.957 1.00 75.41 H new ATOM 0 HE1 TYR A 71 -6.391 -3.973 8.553 1.00 53.44 H new ATOM 0 HE2 TYR A 71 -6.516 0.263 8.090 1.00 22.11 H new ATOM 0 HH TYR A 71 -5.585 -0.731 9.826 1.00 21.43 H new ATOM 1197 N VAL A 72 -8.591 -4.213 1.844 1.00 40.24 N ATOM 1198 CA VAL A 72 -9.498 -4.521 0.731 1.00 41.21 C ATOM 1199 C VAL A 72 -10.668 -5.396 1.218 1.00 63.04 C ATOM 1200 O VAL A 72 -10.477 -6.318 2.016 1.00 24.12 O ATOM 1201 CB VAL A 72 -8.753 -5.229 -0.433 1.00 32.12 C ATOM 1202 CG1 VAL A 72 -8.153 -6.558 0.021 1.00 4.35 C ATOM 1203 CG2 VAL A 72 -9.679 -5.430 -1.636 1.00 33.14 C ATOM 0 H VAL A 72 -8.116 -5.027 2.234 1.00 40.24 H new ATOM 0 HA VAL A 72 -9.890 -3.576 0.354 1.00 41.21 H new ATOM 0 HB VAL A 72 -7.933 -4.582 -0.743 1.00 32.12 H new ATOM 0 HG11 VAL A 72 -7.638 -7.030 -0.816 1.00 4.35 H new ATOM 0 HG12 VAL A 72 -7.444 -6.380 0.829 1.00 4.35 H new ATOM 0 HG13 VAL A 72 -8.948 -7.214 0.374 1.00 4.35 H new ATOM 0 HG21 VAL A 72 -9.132 -5.928 -2.437 1.00 33.14 H new ATOM 0 HG22 VAL A 72 -10.530 -6.044 -1.341 1.00 33.14 H new ATOM 0 HG23 VAL A 72 -10.035 -4.461 -1.987 1.00 33.14 H new ATOM 1213 N ASP A 73 -11.880 -5.093 0.753 1.00 65.53 N ATOM 1214 CA ASP A 73 -13.080 -5.816 1.189 1.00 3.13 C ATOM 1215 C ASP A 73 -14.104 -5.954 0.046 1.00 65.23 C ATOM 1216 O ASP A 73 -14.154 -5.120 -0.862 1.00 4.31 O ATOM 1217 CB ASP A 73 -13.705 -5.096 2.391 1.00 34.02 C ATOM 1218 CG ASP A 73 -14.904 -5.835 2.956 1.00 14.21 C ATOM 1219 OD1 ASP A 73 -14.715 -6.932 3.524 1.00 31.41 O ATOM 1220 OD2 ASP A 73 -16.037 -5.331 2.831 1.00 11.43 O ATOM 0 H ASP A 73 -12.059 -4.353 0.075 1.00 65.53 H new ATOM 0 HA ASP A 73 -12.787 -6.823 1.484 1.00 3.13 H new ATOM 0 HB2 ASP A 73 -12.953 -4.981 3.172 1.00 34.02 H new ATOM 0 HB3 ASP A 73 -14.009 -4.093 2.091 1.00 34.02 H new ATOM 1225 N GLN A 74 -14.917 -7.011 0.096 1.00 54.23 N ATOM 1226 CA GLN A 74 -15.932 -7.266 -0.937 1.00 73.50 C ATOM 1227 C GLN A 74 -17.336 -6.863 -0.457 1.00 55.53 C ATOM 1228 O GLN A 74 -17.731 -7.147 0.677 1.00 24.12 O ATOM 1229 CB GLN A 74 -15.908 -8.748 -1.351 1.00 70.22 C ATOM 1230 CG GLN A 74 -16.108 -9.725 -0.194 1.00 72.43 C ATOM 1231 CD GLN A 74 -16.034 -11.181 -0.627 1.00 45.43 C ATOM 1232 OE1 GLN A 74 -16.388 -11.534 -1.747 1.00 25.24 O ATOM 1233 NE2 GLN A 74 -15.565 -12.038 0.257 1.00 20.52 N ATOM 0 H GLN A 74 -14.895 -7.707 0.841 1.00 54.23 H new ATOM 0 HA GLN A 74 -15.691 -6.652 -1.805 1.00 73.50 H new ATOM 0 HB2 GLN A 74 -16.687 -8.919 -2.094 1.00 70.22 H new ATOM 0 HB3 GLN A 74 -14.954 -8.964 -1.833 1.00 70.22 H new ATOM 0 HG2 GLN A 74 -15.350 -9.539 0.567 1.00 72.43 H new ATOM 0 HG3 GLN A 74 -17.077 -9.538 0.269 1.00 72.43 H new ATOM 0 HE21 GLN A 74 -15.279 -11.713 1.180 1.00 20.52 H new ATOM 0 HE22 GLN A 74 -15.488 -13.027 0.018 1.00 20.52 H new ATOM 1242 N ASP A 75 -18.085 -6.191 -1.326 1.00 50.43 N ATOM 1243 CA ASP A 75 -19.433 -5.718 -0.994 1.00 73.11 C ATOM 1244 C ASP A 75 -20.485 -6.815 -1.230 1.00 52.12 C ATOM 1245 O ASP A 75 -21.501 -6.886 -0.536 1.00 3.03 O ATOM 1246 CB ASP A 75 -19.757 -4.478 -1.831 1.00 40.45 C ATOM 1247 CG ASP A 75 -18.680 -3.416 -1.704 1.00 73.42 C ATOM 1248 OD1 ASP A 75 -18.690 -2.665 -0.703 1.00 11.44 O ATOM 1249 OD2 ASP A 75 -17.811 -3.330 -2.601 1.00 31.35 O ATOM 0 H ASP A 75 -17.783 -5.959 -2.272 1.00 50.43 H new ATOM 0 HA ASP A 75 -19.460 -5.460 0.065 1.00 73.11 H new ATOM 0 HB2 ASP A 75 -19.864 -4.764 -2.877 1.00 40.45 H new ATOM 0 HB3 ASP A 75 -20.714 -4.065 -1.513 1.00 40.45 H new ATOM 1254 N ASP A 76 -20.227 -7.667 -2.218 1.00 13.04 N ATOM 1255 CA ASP A 76 -21.119 -8.781 -2.555 1.00 12.30 C ATOM 1256 C ASP A 76 -20.348 -10.114 -2.611 1.00 75.44 C ATOM 1257 O ASP A 76 -19.196 -10.194 -2.181 1.00 51.35 O ATOM 1258 CB ASP A 76 -21.843 -8.496 -3.882 1.00 21.10 C ATOM 1259 CG ASP A 76 -20.897 -8.065 -4.989 1.00 1.04 C ATOM 1260 OD1 ASP A 76 -20.471 -6.892 -4.987 1.00 5.42 O ATOM 1261 OD2 ASP A 76 -20.575 -8.893 -5.865 1.00 2.43 O ATOM 0 H ASP A 76 -19.397 -7.608 -2.808 1.00 13.04 H new ATOM 0 HA ASP A 76 -21.868 -8.875 -1.769 1.00 12.30 H new ATOM 0 HB2 ASP A 76 -22.380 -9.391 -4.197 1.00 21.10 H new ATOM 0 HB3 ASP A 76 -22.588 -7.717 -3.724 1.00 21.10 H new ATOM 1266 N ASN A 77 -20.993 -11.165 -3.117 1.00 41.34 N ATOM 1267 CA ASN A 77 -20.398 -12.509 -3.122 1.00 72.42 C ATOM 1268 C ASN A 77 -19.441 -12.722 -4.310 1.00 70.35 C ATOM 1269 O ASN A 77 -19.848 -12.698 -5.472 1.00 44.33 O ATOM 1270 CB ASN A 77 -21.501 -13.576 -3.118 1.00 11.03 C ATOM 1271 CG ASN A 77 -22.493 -13.404 -4.253 1.00 61.23 C ATOM 1272 OD1 ASN A 77 -22.330 -13.964 -5.332 1.00 51.22 O ATOM 1273 ND2 ASN A 77 -23.531 -12.632 -4.017 1.00 64.34 N ATOM 0 H ASN A 77 -21.925 -11.116 -3.529 1.00 41.34 H new ATOM 0 HA ASN A 77 -19.802 -12.605 -2.214 1.00 72.42 H new ATOM 0 HB2 ASN A 77 -21.045 -14.563 -3.188 1.00 11.03 H new ATOM 0 HB3 ASN A 77 -22.034 -13.537 -2.168 1.00 11.03 H new ATOM 0 HD21 ASN A 77 -24.232 -12.484 -4.743 1.00 64.34 H new ATOM 0 HD22 ASN A 77 -23.635 -12.182 -3.108 1.00 64.34 H new ATOM 1280 N SER A 78 -18.162 -12.936 -4.006 1.00 53.41 N ATOM 1281 CA SER A 78 -17.141 -13.173 -5.040 1.00 64.03 C ATOM 1282 C SER A 78 -16.830 -14.668 -5.204 1.00 30.43 C ATOM 1283 O SER A 78 -16.956 -15.450 -4.262 1.00 41.30 O ATOM 1284 CB SER A 78 -15.851 -12.413 -4.699 1.00 5.32 C ATOM 1285 OG SER A 78 -16.078 -11.015 -4.625 1.00 50.13 O ATOM 0 H SER A 78 -17.802 -12.951 -3.052 1.00 53.41 H new ATOM 0 HA SER A 78 -17.544 -12.806 -5.984 1.00 64.03 H new ATOM 0 HB2 SER A 78 -15.457 -12.770 -3.747 1.00 5.32 H new ATOM 0 HB3 SER A 78 -15.094 -12.621 -5.455 1.00 5.32 H new ATOM 0 HG SER A 78 -16.246 -10.760 -3.694 1.00 50.13 H new ATOM 1291 N LYS A 79 -16.419 -15.051 -6.412 1.00 64.52 N ATOM 1292 CA LYS A 79 -16.067 -16.444 -6.727 1.00 43.53 C ATOM 1293 C LYS A 79 -15.033 -16.511 -7.866 1.00 32.22 C ATOM 1294 O LYS A 79 -14.063 -17.270 -7.800 1.00 4.12 O ATOM 1295 CB LYS A 79 -17.329 -17.244 -7.105 1.00 62.55 C ATOM 1296 CG LYS A 79 -17.048 -18.621 -7.723 1.00 42.34 C ATOM 1297 CD LYS A 79 -16.267 -19.555 -6.789 1.00 3.14 C ATOM 1298 CE LYS A 79 -17.150 -20.215 -5.729 1.00 44.31 C ATOM 1299 NZ LYS A 79 -17.723 -19.241 -4.761 1.00 60.35 N ATOM 0 H LYS A 79 -16.319 -14.411 -7.200 1.00 64.52 H new ATOM 0 HA LYS A 79 -15.621 -16.888 -5.837 1.00 43.53 H new ATOM 0 HB2 LYS A 79 -17.940 -17.378 -6.212 1.00 62.55 H new ATOM 0 HB3 LYS A 79 -17.919 -16.657 -7.809 1.00 62.55 H new ATOM 0 HG2 LYS A 79 -17.994 -19.092 -7.990 1.00 42.34 H new ATOM 0 HG3 LYS A 79 -16.486 -18.489 -8.648 1.00 42.34 H new ATOM 0 HD2 LYS A 79 -15.781 -20.329 -7.382 1.00 3.14 H new ATOM 0 HD3 LYS A 79 -15.477 -18.989 -6.295 1.00 3.14 H new ATOM 0 HE2 LYS A 79 -17.962 -20.749 -6.222 1.00 44.31 H new ATOM 0 HE3 LYS A 79 -16.564 -20.956 -5.186 1.00 44.31 H new ATOM 0 HZ1 LYS A 79 -17.828 -19.696 -3.832 1.00 60.35 H new ATOM 0 HZ2 LYS A 79 -17.088 -18.422 -4.676 1.00 60.35 H new ATOM 0 HZ3 LYS A 79 -18.654 -18.924 -5.098 1.00 60.35 H new ATOM 1313 N ASN A 80 -15.254 -15.719 -8.912 1.00 34.40 N ATOM 1314 CA ASN A 80 -14.353 -15.675 -10.073 1.00 43.24 C ATOM 1315 C ASN A 80 -13.592 -14.332 -10.122 1.00 72.44 C ATOM 1316 O ASN A 80 -13.181 -13.865 -11.186 1.00 60.40 O ATOM 1317 CB ASN A 80 -15.185 -15.874 -11.352 1.00 44.03 C ATOM 1318 CG ASN A 80 -14.338 -16.093 -12.592 1.00 62.12 C ATOM 1319 OD1 ASN A 80 -13.241 -16.636 -12.523 1.00 61.00 O ATOM 1320 ND2 ASN A 80 -14.831 -15.665 -13.734 1.00 33.11 N ATOM 0 H ASN A 80 -16.055 -15.092 -8.984 1.00 34.40 H new ATOM 0 HA ASN A 80 -13.613 -16.471 -9.991 1.00 43.24 H new ATOM 0 HB2 ASN A 80 -15.847 -16.729 -11.217 1.00 44.03 H new ATOM 0 HB3 ASN A 80 -15.820 -15.001 -11.504 1.00 44.03 H new ATOM 0 HD21 ASN A 80 -14.297 -15.781 -14.595 1.00 33.11 H new ATOM 0 HD22 ASN A 80 -15.747 -15.217 -13.758 1.00 33.11 H new ATOM 1327 N GLU A 81 -13.387 -13.733 -8.950 1.00 61.22 N ATOM 1328 CA GLU A 81 -12.789 -12.394 -8.848 1.00 21.22 C ATOM 1329 C GLU A 81 -11.256 -12.414 -9.006 1.00 53.45 C ATOM 1330 O GLU A 81 -10.639 -13.460 -9.211 1.00 13.11 O ATOM 1331 CB GLU A 81 -13.163 -11.751 -7.496 1.00 35.01 C ATOM 1332 CG GLU A 81 -12.383 -12.286 -6.288 1.00 54.21 C ATOM 1333 CD GLU A 81 -12.467 -13.797 -6.132 1.00 22.21 C ATOM 1334 OE1 GLU A 81 -13.590 -14.328 -6.043 1.00 52.13 O ATOM 1335 OE2 GLU A 81 -11.412 -14.462 -6.119 1.00 73.05 O ATOM 0 H GLU A 81 -13.626 -14.152 -8.051 1.00 61.22 H new ATOM 0 HA GLU A 81 -13.192 -11.802 -9.670 1.00 21.22 H new ATOM 0 HB2 GLU A 81 -13.003 -10.675 -7.566 1.00 35.01 H new ATOM 0 HB3 GLU A 81 -14.228 -11.904 -7.319 1.00 35.01 H new ATOM 0 HG2 GLU A 81 -11.337 -11.996 -6.384 1.00 54.21 H new ATOM 0 HG3 GLU A 81 -12.763 -11.814 -5.382 1.00 54.21 H new ATOM 1342 N ILE A 82 -10.662 -11.230 -8.918 1.00 5.23 N ATOM 1343 CA ILE A 82 -9.210 -11.055 -8.967 1.00 33.03 C ATOM 1344 C ILE A 82 -8.767 -10.064 -7.876 1.00 13.13 C ATOM 1345 O ILE A 82 -9.518 -9.152 -7.531 1.00 1.24 O ATOM 1346 CB ILE A 82 -8.753 -10.547 -10.363 1.00 71.02 C ATOM 1347 CG1 ILE A 82 -7.222 -10.389 -10.416 1.00 41.24 C ATOM 1348 CG2 ILE A 82 -9.448 -9.231 -10.716 1.00 35.40 C ATOM 1349 CD1 ILE A 82 -6.697 -9.928 -11.763 1.00 34.43 C ATOM 0 H ILE A 82 -11.176 -10.356 -8.810 1.00 5.23 H new ATOM 0 HA ILE A 82 -8.743 -12.024 -8.790 1.00 33.03 H new ATOM 0 HB ILE A 82 -9.041 -11.292 -11.105 1.00 71.02 H new ATOM 0 HG12 ILE A 82 -6.914 -9.674 -9.653 1.00 41.24 H new ATOM 0 HG13 ILE A 82 -6.759 -11.343 -10.164 1.00 41.24 H new ATOM 0 HG21 ILE A 82 -9.113 -8.894 -11.697 1.00 35.40 H new ATOM 0 HG22 ILE A 82 -10.527 -9.383 -10.734 1.00 35.40 H new ATOM 0 HG23 ILE A 82 -9.200 -8.477 -9.969 1.00 35.40 H new ATOM 0 HD11 ILE A 82 -5.611 -9.841 -11.720 1.00 34.43 H new ATOM 0 HD12 ILE A 82 -6.973 -10.653 -12.529 1.00 34.43 H new ATOM 0 HD13 ILE A 82 -7.129 -8.958 -12.010 1.00 34.43 H new ATOM 1361 N SER A 83 -7.577 -10.259 -7.306 1.00 23.02 N ATOM 1362 CA SER A 83 -7.059 -9.340 -6.277 1.00 62.52 C ATOM 1363 C SER A 83 -6.938 -7.912 -6.836 1.00 71.53 C ATOM 1364 O SER A 83 -5.912 -7.539 -7.414 1.00 34.24 O ATOM 1365 CB SER A 83 -5.700 -9.822 -5.745 1.00 63.33 C ATOM 1366 OG SER A 83 -5.255 -9.025 -4.656 1.00 75.32 O ATOM 0 H SER A 83 -6.955 -11.035 -7.532 1.00 23.02 H new ATOM 0 HA SER A 83 -7.767 -9.330 -5.448 1.00 62.52 H new ATOM 0 HB2 SER A 83 -5.780 -10.862 -5.427 1.00 63.33 H new ATOM 0 HB3 SER A 83 -4.962 -9.790 -6.547 1.00 63.33 H new ATOM 0 HG SER A 83 -4.963 -9.606 -3.923 1.00 75.32 H new ATOM 1372 N SER A 84 -8.013 -7.136 -6.684 1.00 44.22 N ATOM 1373 CA SER A 84 -8.109 -5.779 -7.251 1.00 12.04 C ATOM 1374 C SER A 84 -7.138 -4.783 -6.594 1.00 53.32 C ATOM 1375 O SER A 84 -6.415 -5.113 -5.652 1.00 41.00 O ATOM 1376 CB SER A 84 -9.547 -5.254 -7.112 1.00 42.14 C ATOM 1377 OG SER A 84 -10.471 -6.079 -7.806 1.00 53.54 O ATOM 0 H SER A 84 -8.843 -7.425 -6.166 1.00 44.22 H new ATOM 0 HA SER A 84 -7.830 -5.858 -8.302 1.00 12.04 H new ATOM 0 HB2 SER A 84 -9.819 -5.209 -6.057 1.00 42.14 H new ATOM 0 HB3 SER A 84 -9.603 -4.237 -7.500 1.00 42.14 H new ATOM 0 HG SER A 84 -11.376 -5.720 -7.697 1.00 53.54 H new ATOM 1383 N ILE A 85 -7.144 -3.550 -7.101 1.00 42.25 N ATOM 1384 CA ILE A 85 -6.255 -2.494 -6.606 1.00 60.40 C ATOM 1385 C ILE A 85 -7.035 -1.452 -5.773 1.00 63.00 C ATOM 1386 O ILE A 85 -6.447 -0.587 -5.121 1.00 13.35 O ATOM 1387 CB ILE A 85 -5.532 -1.794 -7.794 1.00 52.12 C ATOM 1388 CG1 ILE A 85 -4.468 -0.803 -7.290 1.00 61.45 C ATOM 1389 CG2 ILE A 85 -6.540 -1.088 -8.703 1.00 23.22 C ATOM 1390 CD1 ILE A 85 -3.693 -0.114 -8.397 1.00 3.51 C ATOM 0 H ILE A 85 -7.759 -3.255 -7.860 1.00 42.25 H new ATOM 0 HA ILE A 85 -5.511 -2.959 -5.960 1.00 60.40 H new ATOM 0 HB ILE A 85 -5.025 -2.564 -8.376 1.00 52.12 H new ATOM 0 HG12 ILE A 85 -4.954 -0.046 -6.675 1.00 61.45 H new ATOM 0 HG13 ILE A 85 -3.767 -1.335 -6.646 1.00 61.45 H new ATOM 0 HG21 ILE A 85 -6.012 -0.606 -9.526 1.00 23.22 H new ATOM 0 HG22 ILE A 85 -7.244 -1.818 -9.102 1.00 23.22 H new ATOM 0 HG23 ILE A 85 -7.082 -0.336 -8.130 1.00 23.22 H new ATOM 0 HD11 ILE A 85 -2.963 0.568 -7.960 1.00 3.51 H new ATOM 0 HD12 ILE A 85 -3.176 -0.861 -8.999 1.00 3.51 H new ATOM 0 HD13 ILE A 85 -4.382 0.448 -9.028 1.00 3.51 H new ATOM 1402 N GLU A 86 -8.365 -1.551 -5.791 1.00 12.12 N ATOM 1403 CA GLU A 86 -9.228 -0.601 -5.084 1.00 13.10 C ATOM 1404 C GLU A 86 -9.123 -0.755 -3.558 1.00 21.34 C ATOM 1405 O GLU A 86 -9.911 -1.466 -2.931 1.00 12.22 O ATOM 1406 CB GLU A 86 -10.698 -0.751 -5.521 1.00 20.24 C ATOM 1407 CG GLU A 86 -10.938 -0.570 -7.021 1.00 3.23 C ATOM 1408 CD GLU A 86 -10.712 -1.845 -7.824 1.00 64.23 C ATOM 1409 OE1 GLU A 86 -9.555 -2.139 -8.187 1.00 24.31 O ATOM 1410 OE2 GLU A 86 -11.700 -2.557 -8.103 1.00 62.14 O ATOM 0 H GLU A 86 -8.871 -2.283 -6.290 1.00 12.12 H new ATOM 0 HA GLU A 86 -8.878 0.396 -5.351 1.00 13.10 H new ATOM 0 HB2 GLU A 86 -11.052 -1.739 -5.226 1.00 20.24 H new ATOM 0 HB3 GLU A 86 -11.301 -0.022 -4.979 1.00 20.24 H new ATOM 0 HG2 GLU A 86 -11.960 -0.225 -7.180 1.00 3.23 H new ATOM 0 HG3 GLU A 86 -10.276 0.210 -7.397 1.00 3.23 H new ATOM 1417 N VAL A 87 -8.125 -0.105 -2.976 1.00 20.30 N ATOM 1418 CA VAL A 87 -7.970 -0.063 -1.520 1.00 62.12 C ATOM 1419 C VAL A 87 -8.976 0.920 -0.902 1.00 2.05 C ATOM 1420 O VAL A 87 -8.821 2.137 -1.010 1.00 34.43 O ATOM 1421 CB VAL A 87 -6.529 0.344 -1.124 1.00 1.10 C ATOM 1422 CG1 VAL A 87 -6.368 0.384 0.397 1.00 3.45 C ATOM 1423 CG2 VAL A 87 -5.517 -0.611 -1.759 1.00 10.41 C ATOM 0 H VAL A 87 -7.405 0.404 -3.489 1.00 20.30 H new ATOM 0 HA VAL A 87 -8.164 -1.064 -1.135 1.00 62.12 H new ATOM 0 HB VAL A 87 -6.338 1.349 -1.501 1.00 1.10 H new ATOM 0 HG11 VAL A 87 -5.347 0.672 0.647 1.00 3.45 H new ATOM 0 HG12 VAL A 87 -7.064 1.110 0.818 1.00 3.45 H new ATOM 0 HG13 VAL A 87 -6.578 -0.602 0.811 1.00 3.45 H new ATOM 0 HG21 VAL A 87 -4.508 -0.314 -1.473 1.00 10.41 H new ATOM 0 HG22 VAL A 87 -5.708 -1.627 -1.413 1.00 10.41 H new ATOM 0 HG23 VAL A 87 -5.613 -0.573 -2.844 1.00 10.41 H new ATOM 1433 N LYS A 88 -10.011 0.379 -0.266 1.00 21.33 N ATOM 1434 CA LYS A 88 -11.096 1.199 0.286 1.00 63.20 C ATOM 1435 C LYS A 88 -10.635 2.045 1.484 1.00 4.44 C ATOM 1436 O LYS A 88 -11.087 3.179 1.662 1.00 55.21 O ATOM 1437 CB LYS A 88 -12.283 0.309 0.693 1.00 11.14 C ATOM 1438 CG LYS A 88 -11.971 -0.692 1.803 1.00 72.14 C ATOM 1439 CD LYS A 88 -13.197 -1.516 2.194 1.00 12.14 C ATOM 1440 CE LYS A 88 -14.365 -0.637 2.635 1.00 60.15 C ATOM 1441 NZ LYS A 88 -15.520 -1.446 3.105 1.00 40.32 N ATOM 0 H LYS A 88 -10.125 -0.624 -0.118 1.00 21.33 H new ATOM 0 HA LYS A 88 -11.410 1.888 -0.498 1.00 63.20 H new ATOM 0 HB2 LYS A 88 -13.105 0.947 1.017 1.00 11.14 H new ATOM 0 HB3 LYS A 88 -12.630 -0.237 -0.185 1.00 11.14 H new ATOM 0 HG2 LYS A 88 -11.175 -1.360 1.475 1.00 72.14 H new ATOM 0 HG3 LYS A 88 -11.599 -0.159 2.678 1.00 72.14 H new ATOM 0 HD2 LYS A 88 -13.505 -2.130 1.348 1.00 12.14 H new ATOM 0 HD3 LYS A 88 -12.932 -2.198 3.002 1.00 12.14 H new ATOM 0 HE2 LYS A 88 -14.038 0.028 3.435 1.00 60.15 H new ATOM 0 HE3 LYS A 88 -14.678 -0.005 1.804 1.00 60.15 H new ATOM 0 HZ1 LYS A 88 -16.292 -0.813 3.395 1.00 40.32 H new ATOM 0 HZ2 LYS A 88 -15.849 -2.062 2.334 1.00 40.32 H new ATOM 0 HZ3 LYS A 88 -15.228 -2.030 3.915 1.00 40.32 H new ATOM 1455 N SER A 89 -9.731 1.497 2.291 1.00 52.22 N ATOM 1456 CA SER A 89 -9.252 2.179 3.505 1.00 73.12 C ATOM 1457 C SER A 89 -7.800 1.807 3.820 1.00 61.41 C ATOM 1458 O SER A 89 -7.317 0.747 3.422 1.00 60.43 O ATOM 1459 CB SER A 89 -10.136 1.821 4.711 1.00 32.13 C ATOM 1460 OG SER A 89 -11.493 2.172 4.490 1.00 74.32 O ATOM 0 H SER A 89 -9.311 0.581 2.132 1.00 52.22 H new ATOM 0 HA SER A 89 -9.307 3.251 3.316 1.00 73.12 H new ATOM 0 HB2 SER A 89 -10.065 0.752 4.910 1.00 32.13 H new ATOM 0 HB3 SER A 89 -9.767 2.336 5.598 1.00 32.13 H new ATOM 0 HG SER A 89 -12.026 1.929 5.276 1.00 74.32 H new ATOM 1466 N TYR A 90 -7.108 2.684 4.542 1.00 2.32 N ATOM 1467 CA TYR A 90 -5.739 2.414 4.991 1.00 12.40 C ATOM 1468 C TYR A 90 -5.446 3.106 6.334 1.00 20.42 C ATOM 1469 O TYR A 90 -6.015 4.156 6.640 1.00 63.44 O ATOM 1470 CB TYR A 90 -4.719 2.840 3.917 1.00 54.24 C ATOM 1471 CG TYR A 90 -4.782 4.310 3.527 1.00 55.41 C ATOM 1472 CD1 TYR A 90 -5.628 4.747 2.509 1.00 14.22 C ATOM 1473 CD2 TYR A 90 -3.985 5.257 4.164 1.00 43.30 C ATOM 1474 CE1 TYR A 90 -5.678 6.080 2.144 1.00 30.21 C ATOM 1475 CE2 TYR A 90 -4.031 6.590 3.802 1.00 42.02 C ATOM 1476 CZ TYR A 90 -4.878 6.996 2.792 1.00 14.42 C ATOM 1477 OH TYR A 90 -4.921 8.323 2.426 1.00 0.32 O ATOM 0 H TYR A 90 -7.472 3.592 4.831 1.00 2.32 H new ATOM 0 HA TYR A 90 -5.642 1.339 5.145 1.00 12.40 H new ATOM 0 HB2 TYR A 90 -3.716 2.617 4.280 1.00 54.24 H new ATOM 0 HB3 TYR A 90 -4.877 2.234 3.025 1.00 54.24 H new ATOM 0 HD1 TYR A 90 -6.255 4.032 1.997 1.00 14.22 H new ATOM 0 HD2 TYR A 90 -3.319 4.945 4.955 1.00 43.30 H new ATOM 0 HE1 TYR A 90 -6.341 6.402 1.355 1.00 30.21 H new ATOM 0 HE2 TYR A 90 -3.406 7.311 4.308 1.00 42.02 H new ATOM 0 HH TYR A 90 -4.084 8.566 1.979 1.00 0.32 H new ATOM 1487 N GLU A 91 -4.562 2.505 7.128 1.00 41.22 N ATOM 1488 CA GLU A 91 -4.211 3.028 8.462 1.00 21.34 C ATOM 1489 C GLU A 91 -2.725 3.417 8.534 1.00 33.23 C ATOM 1490 O GLU A 91 -1.878 2.761 7.930 1.00 12.02 O ATOM 1491 CB GLU A 91 -4.525 1.967 9.532 1.00 1.32 C ATOM 1492 CG GLU A 91 -4.190 2.391 10.962 1.00 70.12 C ATOM 1493 CD GLU A 91 -5.018 3.576 11.444 1.00 12.41 C ATOM 1494 OE1 GLU A 91 -6.142 3.358 11.942 1.00 52.43 O ATOM 1495 OE2 GLU A 91 -4.546 4.730 11.328 1.00 62.44 O ATOM 0 H GLU A 91 -4.069 1.649 6.875 1.00 41.22 H new ATOM 0 HA GLU A 91 -4.805 3.923 8.646 1.00 21.34 H new ATOM 0 HB2 GLU A 91 -5.585 1.718 9.479 1.00 1.32 H new ATOM 0 HB3 GLU A 91 -3.972 1.057 9.297 1.00 1.32 H new ATOM 0 HG2 GLU A 91 -4.351 1.546 11.632 1.00 70.12 H new ATOM 0 HG3 GLU A 91 -3.132 2.647 11.020 1.00 70.12 H new ATOM 1502 N GLU A 92 -2.413 4.473 9.289 1.00 43.30 N ATOM 1503 CA GLU A 92 -1.033 4.963 9.405 1.00 73.24 C ATOM 1504 C GLU A 92 -0.295 4.270 10.565 1.00 52.44 C ATOM 1505 O GLU A 92 -0.658 4.424 11.733 1.00 75.53 O ATOM 1506 CB GLU A 92 -1.030 6.489 9.591 1.00 33.35 C ATOM 1507 CG GLU A 92 0.363 7.115 9.568 1.00 40.44 C ATOM 1508 CD GLU A 92 0.327 8.629 9.713 1.00 24.41 C ATOM 1509 OE1 GLU A 92 0.354 9.125 10.862 1.00 2.24 O ATOM 1510 OE2 GLU A 92 0.258 9.334 8.685 1.00 63.44 O ATOM 0 H GLU A 92 -3.094 5.006 9.829 1.00 43.30 H new ATOM 0 HA GLU A 92 -0.503 4.721 8.484 1.00 73.24 H new ATOM 0 HB2 GLU A 92 -1.634 6.942 8.804 1.00 33.35 H new ATOM 0 HB3 GLU A 92 -1.510 6.730 10.540 1.00 33.35 H new ATOM 0 HG2 GLU A 92 0.961 6.691 10.374 1.00 40.44 H new ATOM 0 HG3 GLU A 92 0.859 6.855 8.633 1.00 40.44 H new ATOM 1517 N ILE A 93 0.737 3.502 10.227 1.00 34.21 N ATOM 1518 CA ILE A 93 1.482 2.696 11.203 1.00 25.00 C ATOM 1519 C ILE A 93 3.001 2.936 11.104 1.00 54.01 C ATOM 1520 O ILE A 93 3.473 3.728 10.283 1.00 32.42 O ATOM 1521 CB ILE A 93 1.200 1.180 11.001 1.00 30.33 C ATOM 1522 CG1 ILE A 93 1.597 0.743 9.577 1.00 13.24 C ATOM 1523 CG2 ILE A 93 -0.270 0.860 11.275 1.00 5.43 C ATOM 1524 CD1 ILE A 93 1.400 -0.736 9.298 1.00 24.51 C ATOM 0 H ILE A 93 1.084 3.417 9.272 1.00 34.21 H new ATOM 0 HA ILE A 93 1.140 3.007 12.190 1.00 25.00 H new ATOM 0 HB ILE A 93 1.806 0.621 11.714 1.00 30.33 H new ATOM 0 HG12 ILE A 93 1.013 1.317 8.858 1.00 13.24 H new ATOM 0 HG13 ILE A 93 2.644 0.995 9.411 1.00 13.24 H new ATOM 0 HG21 ILE A 93 -0.444 -0.206 11.127 1.00 5.43 H new ATOM 0 HG22 ILE A 93 -0.516 1.129 12.302 1.00 5.43 H new ATOM 0 HG23 ILE A 93 -0.900 1.428 10.591 1.00 5.43 H new ATOM 0 HD11 ILE A 93 1.704 -0.957 8.275 1.00 24.51 H new ATOM 0 HD12 ILE A 93 2.006 -1.321 9.990 1.00 24.51 H new ATOM 0 HD13 ILE A 93 0.349 -0.994 9.428 1.00 24.51 H new ATOM 1536 N GLN A 94 3.759 2.263 11.967 1.00 24.50 N ATOM 1537 CA GLN A 94 5.226 2.287 11.898 1.00 12.01 C ATOM 1538 C GLN A 94 5.778 0.893 11.545 1.00 23.41 C ATOM 1539 O GLN A 94 5.027 -0.078 11.462 1.00 4.21 O ATOM 1540 CB GLN A 94 5.842 2.796 13.216 1.00 73.31 C ATOM 1541 CG GLN A 94 5.215 2.219 14.485 1.00 1.20 C ATOM 1542 CD GLN A 94 3.979 2.989 14.940 1.00 22.11 C ATOM 1543 OE1 GLN A 94 3.875 4.196 14.750 1.00 24.25 O ATOM 1544 NE2 GLN A 94 3.028 2.296 15.525 1.00 52.12 N ATOM 0 H GLN A 94 3.385 1.692 12.725 1.00 24.50 H new ATOM 0 HA GLN A 94 5.509 2.982 11.107 1.00 12.01 H new ATOM 0 HB2 GLN A 94 6.907 2.563 13.216 1.00 73.31 H new ATOM 0 HB3 GLN A 94 5.753 3.882 13.246 1.00 73.31 H new ATOM 0 HG2 GLN A 94 4.944 1.178 14.309 1.00 1.20 H new ATOM 0 HG3 GLN A 94 5.955 2.225 15.285 1.00 1.20 H new ATOM 0 HE21 GLN A 94 3.143 1.293 15.669 1.00 52.12 H new ATOM 0 HE22 GLN A 94 2.175 2.761 15.835 1.00 52.12 H new ATOM 1553 N LYS A 95 7.091 0.800 11.329 1.00 31.40 N ATOM 1554 CA LYS A 95 7.731 -0.463 10.919 1.00 35.45 C ATOM 1555 C LYS A 95 7.462 -1.610 11.917 1.00 44.34 C ATOM 1556 O LYS A 95 7.478 -2.784 11.547 1.00 52.30 O ATOM 1557 CB LYS A 95 9.245 -0.253 10.746 1.00 51.23 C ATOM 1558 CG LYS A 95 9.988 -1.478 10.214 1.00 43.12 C ATOM 1559 CD LYS A 95 11.464 -1.188 9.947 1.00 72.14 C ATOM 1560 CE LYS A 95 12.213 -0.772 11.210 1.00 43.20 C ATOM 1561 NZ LYS A 95 13.663 -0.567 10.946 1.00 1.21 N ATOM 0 H LYS A 95 7.738 1.582 11.430 1.00 31.40 H new ATOM 0 HA LYS A 95 7.290 -0.757 9.966 1.00 35.45 H new ATOM 0 HB2 LYS A 95 9.410 0.582 10.065 1.00 51.23 H new ATOM 0 HB3 LYS A 95 9.674 0.030 11.707 1.00 51.23 H new ATOM 0 HG2 LYS A 95 9.904 -2.292 10.934 1.00 43.12 H new ATOM 0 HG3 LYS A 95 9.514 -1.817 9.293 1.00 43.12 H new ATOM 0 HD2 LYS A 95 11.935 -2.075 9.524 1.00 72.14 H new ATOM 0 HD3 LYS A 95 11.547 -0.397 9.202 1.00 72.14 H new ATOM 0 HE2 LYS A 95 11.781 0.148 11.603 1.00 43.20 H new ATOM 0 HE3 LYS A 95 12.087 -1.537 11.977 1.00 43.20 H new ATOM 0 HZ1 LYS A 95 14.140 -0.285 11.826 1.00 1.21 H new ATOM 0 HZ2 LYS A 95 14.080 -1.452 10.594 1.00 1.21 H new ATOM 0 HZ3 LYS A 95 13.784 0.180 10.233 1.00 1.21 H new ATOM 1575 N ALA A 96 7.209 -1.266 13.179 1.00 64.12 N ATOM 1576 CA ALA A 96 6.925 -2.268 14.217 1.00 22.14 C ATOM 1577 C ALA A 96 5.532 -2.919 14.055 1.00 75.51 C ATOM 1578 O ALA A 96 5.186 -3.855 14.778 1.00 60.31 O ATOM 1579 CB ALA A 96 7.050 -1.629 15.595 1.00 14.13 C ATOM 0 H ALA A 96 7.194 -0.302 13.512 1.00 64.12 H new ATOM 0 HA ALA A 96 7.660 -3.066 14.107 1.00 22.14 H new ATOM 0 HB1 ALA A 96 6.839 -2.374 16.362 1.00 14.13 H new ATOM 0 HB2 ALA A 96 8.062 -1.247 15.729 1.00 14.13 H new ATOM 0 HB3 ALA A 96 6.338 -0.808 15.681 1.00 14.13 H new ATOM 1585 N ASP A 97 4.731 -2.411 13.121 1.00 2.25 N ATOM 1586 CA ASP A 97 3.397 -2.967 12.849 1.00 33.25 C ATOM 1587 C ASP A 97 3.389 -3.825 11.575 1.00 40.24 C ATOM 1588 O ASP A 97 2.357 -4.390 11.199 1.00 22.51 O ATOM 1589 CB ASP A 97 2.379 -1.835 12.717 1.00 14.12 C ATOM 1590 CG ASP A 97 2.336 -0.965 13.953 1.00 14.44 C ATOM 1591 OD1 ASP A 97 1.735 -1.391 14.963 1.00 14.50 O ATOM 1592 OD2 ASP A 97 2.901 0.139 13.926 1.00 0.32 O ATOM 0 H ASP A 97 4.979 -1.613 12.536 1.00 2.25 H new ATOM 0 HA ASP A 97 3.127 -3.609 13.687 1.00 33.25 H new ATOM 0 HB2 ASP A 97 2.629 -1.222 11.851 1.00 14.12 H new ATOM 0 HB3 ASP A 97 1.390 -2.256 12.535 1.00 14.12 H new ATOM 1597 N LEU A 98 4.538 -3.910 10.914 1.00 3.25 N ATOM 1598 CA LEU A 98 4.670 -4.697 9.687 1.00 2.14 C ATOM 1599 C LEU A 98 4.934 -6.176 10.003 1.00 55.32 C ATOM 1600 O LEU A 98 5.805 -6.498 10.819 1.00 61.42 O ATOM 1601 CB LEU A 98 5.809 -4.141 8.824 1.00 22.43 C ATOM 1602 CG LEU A 98 5.665 -2.666 8.414 1.00 71.01 C ATOM 1603 CD1 LEU A 98 6.879 -2.215 7.609 1.00 52.53 C ATOM 1604 CD2 LEU A 98 4.377 -2.440 7.625 1.00 13.04 C ATOM 0 H LEU A 98 5.396 -3.443 11.206 1.00 3.25 H new ATOM 0 HA LEU A 98 3.731 -4.625 9.139 1.00 2.14 H new ATOM 0 HB2 LEU A 98 6.746 -4.260 9.368 1.00 22.43 H new ATOM 0 HB3 LEU A 98 5.886 -4.746 7.921 1.00 22.43 H new ATOM 0 HG LEU A 98 5.611 -2.065 9.321 1.00 71.01 H new ATOM 0 HD11 LEU A 98 6.760 -1.169 7.327 1.00 52.53 H new ATOM 0 HD12 LEU A 98 7.779 -2.328 8.214 1.00 52.53 H new ATOM 0 HD13 LEU A 98 6.967 -2.825 6.710 1.00 52.53 H new ATOM 0 HD21 LEU A 98 4.300 -1.389 7.348 1.00 13.04 H new ATOM 0 HD22 LEU A 98 4.390 -3.053 6.724 1.00 13.04 H new ATOM 0 HD23 LEU A 98 3.520 -2.717 8.240 1.00 13.04 H new ATOM 1616 N PRO A 99 4.188 -7.101 9.365 1.00 32.43 N ATOM 1617 CA PRO A 99 4.389 -8.545 9.560 1.00 55.33 C ATOM 1618 C PRO A 99 5.795 -9.002 9.134 1.00 4.31 C ATOM 1619 O PRO A 99 6.498 -8.297 8.399 1.00 13.24 O ATOM 1620 CB PRO A 99 3.300 -9.188 8.683 1.00 33.43 C ATOM 1621 CG PRO A 99 2.922 -8.136 7.701 1.00 31.33 C ATOM 1622 CD PRO A 99 3.098 -6.822 8.413 1.00 22.34 C ATOM 0 HA PRO A 99 4.314 -8.831 10.609 1.00 55.33 H new ATOM 0 HB2 PRO A 99 3.674 -10.080 8.181 1.00 33.43 H new ATOM 0 HB3 PRO A 99 2.442 -9.495 9.281 1.00 33.43 H new ATOM 0 HG2 PRO A 99 3.552 -8.186 6.813 1.00 31.33 H new ATOM 0 HG3 PRO A 99 1.892 -8.265 7.368 1.00 31.33 H new ATOM 0 HD2 PRO A 99 3.361 -6.021 7.722 1.00 22.34 H new ATOM 0 HD3 PRO A 99 2.185 -6.515 8.924 1.00 22.34 H new ATOM 1630 N GLU A 100 6.192 -10.185 9.590 1.00 70.51 N ATOM 1631 CA GLU A 100 7.569 -10.665 9.429 1.00 43.43 C ATOM 1632 C GLU A 100 8.042 -10.652 7.963 1.00 53.33 C ATOM 1633 O GLU A 100 9.125 -10.161 7.664 1.00 64.51 O ATOM 1634 CB GLU A 100 7.704 -12.070 10.023 1.00 34.25 C ATOM 1635 CG GLU A 100 9.144 -12.559 10.128 1.00 43.30 C ATOM 1636 CD GLU A 100 9.260 -13.847 10.923 1.00 10.12 C ATOM 1637 OE1 GLU A 100 9.204 -13.782 12.172 1.00 53.31 O ATOM 1638 OE2 GLU A 100 9.387 -14.924 10.304 1.00 11.35 O ATOM 0 H GLU A 100 5.578 -10.837 10.078 1.00 70.51 H new ATOM 0 HA GLU A 100 8.215 -9.973 9.969 1.00 43.43 H new ATOM 0 HB2 GLU A 100 7.254 -12.079 11.016 1.00 34.25 H new ATOM 0 HB3 GLU A 100 7.137 -12.770 9.409 1.00 34.25 H new ATOM 0 HG2 GLU A 100 9.546 -12.715 9.127 1.00 43.30 H new ATOM 0 HG3 GLU A 100 9.753 -11.788 10.599 1.00 43.30 H new ATOM 1645 N LYS A 101 7.230 -11.170 7.049 1.00 11.44 N ATOM 1646 CA LYS A 101 7.607 -11.191 5.631 1.00 33.22 C ATOM 1647 C LYS A 101 7.802 -9.761 5.087 1.00 21.43 C ATOM 1648 O LYS A 101 8.743 -9.482 4.341 1.00 43.21 O ATOM 1649 CB LYS A 101 6.536 -11.919 4.808 1.00 11.55 C ATOM 1650 CG LYS A 101 6.282 -13.365 5.244 1.00 52.14 C ATOM 1651 CD LYS A 101 7.492 -14.266 5.006 1.00 10.53 C ATOM 1652 CE LYS A 101 7.867 -14.340 3.529 1.00 45.53 C ATOM 1653 NZ LYS A 101 6.737 -14.818 2.684 1.00 74.13 N ATOM 0 H LYS A 101 6.318 -11.577 7.255 1.00 11.44 H new ATOM 0 HA LYS A 101 8.553 -11.724 5.543 1.00 33.22 H new ATOM 0 HB2 LYS A 101 5.602 -11.362 4.875 1.00 11.55 H new ATOM 0 HB3 LYS A 101 6.835 -11.915 3.760 1.00 11.55 H new ATOM 0 HG2 LYS A 101 6.022 -13.382 6.302 1.00 52.14 H new ATOM 0 HG3 LYS A 101 5.425 -13.761 4.699 1.00 52.14 H new ATOM 0 HD2 LYS A 101 8.341 -13.891 5.577 1.00 10.53 H new ATOM 0 HD3 LYS A 101 7.276 -15.268 5.376 1.00 10.53 H new ATOM 0 HE2 LYS A 101 8.183 -13.355 3.186 1.00 45.53 H new ATOM 0 HE3 LYS A 101 8.719 -15.009 3.405 1.00 45.53 H new ATOM 0 HZ1 LYS A 101 7.070 -15.577 2.056 1.00 74.13 H new ATOM 0 HZ2 LYS A 101 5.977 -15.182 3.294 1.00 74.13 H new ATOM 0 HZ3 LYS A 101 6.374 -14.029 2.111 1.00 74.13 H new ATOM 1667 N VAL A 102 6.917 -8.859 5.494 1.00 42.34 N ATOM 1668 CA VAL A 102 6.923 -7.476 5.008 1.00 71.03 C ATOM 1669 C VAL A 102 8.133 -6.673 5.522 1.00 74.02 C ATOM 1670 O VAL A 102 8.800 -5.982 4.746 1.00 12.43 O ATOM 1671 CB VAL A 102 5.606 -6.762 5.405 1.00 71.42 C ATOM 1672 CG1 VAL A 102 5.689 -5.257 5.169 1.00 55.24 C ATOM 1673 CG2 VAL A 102 4.431 -7.366 4.640 1.00 42.31 C ATOM 0 H VAL A 102 6.177 -9.060 6.167 1.00 42.34 H new ATOM 0 HA VAL A 102 7.004 -7.521 3.922 1.00 71.03 H new ATOM 0 HB VAL A 102 5.448 -6.914 6.473 1.00 71.42 H new ATOM 0 HG11 VAL A 102 4.747 -4.791 5.459 1.00 55.24 H new ATOM 0 HG12 VAL A 102 6.500 -4.839 5.766 1.00 55.24 H new ATOM 0 HG13 VAL A 102 5.879 -5.064 4.113 1.00 55.24 H new ATOM 0 HG21 VAL A 102 3.510 -6.857 4.926 1.00 42.31 H new ATOM 0 HG22 VAL A 102 4.594 -7.246 3.569 1.00 42.31 H new ATOM 0 HG23 VAL A 102 4.349 -8.427 4.878 1.00 42.31 H new ATOM 1683 N LYS A 103 8.416 -6.765 6.822 1.00 31.44 N ATOM 1684 CA LYS A 103 9.519 -6.003 7.428 1.00 55.45 C ATOM 1685 C LYS A 103 10.864 -6.275 6.720 1.00 0.40 C ATOM 1686 O LYS A 103 11.634 -5.346 6.447 1.00 72.13 O ATOM 1687 CB LYS A 103 9.640 -6.328 8.926 1.00 11.43 C ATOM 1688 CG LYS A 103 9.952 -7.794 9.209 1.00 73.31 C ATOM 1689 CD LYS A 103 10.282 -8.063 10.673 1.00 33.43 C ATOM 1690 CE LYS A 103 9.117 -7.757 11.605 1.00 22.32 C ATOM 1691 NZ LYS A 103 9.397 -8.220 12.992 1.00 25.55 N ATOM 0 H LYS A 103 7.902 -7.355 7.476 1.00 31.44 H new ATOM 0 HA LYS A 103 9.285 -4.945 7.307 1.00 55.45 H new ATOM 0 HB2 LYS A 103 10.423 -5.708 9.362 1.00 11.43 H new ATOM 0 HB3 LYS A 103 8.708 -6.061 9.424 1.00 11.43 H new ATOM 0 HG2 LYS A 103 9.097 -8.404 8.917 1.00 73.31 H new ATOM 0 HG3 LYS A 103 10.793 -8.107 8.590 1.00 73.31 H new ATOM 0 HD2 LYS A 103 10.571 -9.108 10.790 1.00 33.43 H new ATOM 0 HD3 LYS A 103 11.142 -7.460 10.964 1.00 33.43 H new ATOM 0 HE2 LYS A 103 8.924 -6.684 11.610 1.00 22.32 H new ATOM 0 HE3 LYS A 103 8.214 -8.241 11.233 1.00 22.32 H new ATOM 0 HZ1 LYS A 103 8.585 -7.997 13.603 1.00 25.55 H new ATOM 0 HZ2 LYS A 103 9.557 -9.248 12.989 1.00 25.55 H new ATOM 0 HZ3 LYS A 103 10.245 -7.739 13.354 1.00 25.55 H new ATOM 1705 N ASP A 104 11.145 -7.545 6.425 1.00 73.13 N ATOM 1706 CA ASP A 104 12.369 -7.917 5.710 1.00 74.31 C ATOM 1707 C ASP A 104 12.329 -7.444 4.246 1.00 61.35 C ATOM 1708 O ASP A 104 13.341 -6.991 3.701 1.00 13.54 O ATOM 1709 CB ASP A 104 12.597 -9.431 5.787 1.00 43.20 C ATOM 1710 CG ASP A 104 12.777 -9.911 7.220 1.00 4.31 C ATOM 1711 OD1 ASP A 104 13.810 -9.573 7.834 1.00 34.41 O ATOM 1712 OD2 ASP A 104 11.897 -10.627 7.735 1.00 54.11 O ATOM 0 H ASP A 104 10.544 -8.332 6.669 1.00 73.13 H new ATOM 0 HA ASP A 104 13.206 -7.416 6.196 1.00 74.31 H new ATOM 0 HB2 ASP A 104 11.750 -9.948 5.336 1.00 43.20 H new ATOM 0 HB3 ASP A 104 13.479 -9.694 5.203 1.00 43.20 H new ATOM 1717 N LYS A 105 11.156 -7.528 3.615 1.00 63.34 N ATOM 1718 CA LYS A 105 10.994 -7.043 2.235 1.00 74.42 C ATOM 1719 C LYS A 105 11.104 -5.508 2.137 1.00 54.13 C ATOM 1720 O LYS A 105 11.335 -4.967 1.058 1.00 42.25 O ATOM 1721 CB LYS A 105 9.658 -7.513 1.636 1.00 63.20 C ATOM 1722 CG LYS A 105 9.569 -9.023 1.419 1.00 53.31 C ATOM 1723 CD LYS A 105 10.718 -9.554 0.555 1.00 11.34 C ATOM 1724 CE LYS A 105 10.767 -8.888 -0.819 1.00 1.50 C ATOM 1725 NZ LYS A 105 11.891 -9.405 -1.646 1.00 52.11 N ATOM 0 H LYS A 105 10.311 -7.922 4.028 1.00 63.34 H new ATOM 0 HA LYS A 105 11.813 -7.472 1.658 1.00 74.42 H new ATOM 0 HB2 LYS A 105 8.847 -7.203 2.295 1.00 63.20 H new ATOM 0 HB3 LYS A 105 9.503 -7.010 0.682 1.00 63.20 H new ATOM 0 HG2 LYS A 105 9.580 -9.528 2.385 1.00 53.31 H new ATOM 0 HG3 LYS A 105 8.618 -9.264 0.944 1.00 53.31 H new ATOM 0 HD2 LYS A 105 11.664 -9.388 1.071 1.00 11.34 H new ATOM 0 HD3 LYS A 105 10.608 -10.631 0.430 1.00 11.34 H new ATOM 0 HE2 LYS A 105 9.825 -9.059 -1.339 1.00 1.50 H new ATOM 0 HE3 LYS A 105 10.872 -7.810 -0.696 1.00 1.50 H new ATOM 0 HZ1 LYS A 105 11.890 -8.928 -2.570 1.00 52.11 H new ATOM 0 HZ2 LYS A 105 12.792 -9.219 -1.162 1.00 52.11 H new ATOM 0 HZ3 LYS A 105 11.777 -10.429 -1.785 1.00 52.11 H new ATOM 1739 N PHE A 106 10.922 -4.807 3.255 1.00 35.14 N ATOM 1740 CA PHE A 106 11.126 -3.351 3.287 1.00 45.13 C ATOM 1741 C PHE A 106 12.614 -2.996 3.423 1.00 13.24 C ATOM 1742 O PHE A 106 13.113 -2.115 2.725 1.00 64.23 O ATOM 1743 CB PHE A 106 10.312 -2.698 4.420 1.00 15.24 C ATOM 1744 CG PHE A 106 8.993 -2.118 3.963 1.00 50.21 C ATOM 1745 CD1 PHE A 106 8.952 -0.888 3.321 1.00 33.05 C ATOM 1746 CD2 PHE A 106 7.799 -2.796 4.170 1.00 33.31 C ATOM 1747 CE1 PHE A 106 7.754 -0.349 2.897 1.00 64.11 C ATOM 1748 CE2 PHE A 106 6.596 -2.259 3.746 1.00 43.41 C ATOM 1749 CZ PHE A 106 6.575 -1.034 3.110 1.00 54.43 C ATOM 0 H PHE A 106 10.636 -5.215 4.145 1.00 35.14 H new ATOM 0 HA PHE A 106 10.769 -2.954 2.337 1.00 45.13 H new ATOM 0 HB2 PHE A 106 10.123 -3.441 5.195 1.00 15.24 H new ATOM 0 HB3 PHE A 106 10.909 -1.907 4.875 1.00 15.24 H new ATOM 0 HD1 PHE A 106 9.870 -0.345 3.151 1.00 33.05 H new ATOM 0 HD2 PHE A 106 7.809 -3.754 4.668 1.00 33.31 H new ATOM 0 HE1 PHE A 106 7.739 0.609 2.398 1.00 64.11 H new ATOM 0 HE2 PHE A 106 5.675 -2.798 3.912 1.00 43.41 H new ATOM 0 HZ PHE A 106 5.637 -0.612 2.780 1.00 54.43 H new ATOM 1759 N THR A 107 13.326 -3.683 4.316 1.00 51.21 N ATOM 1760 CA THR A 107 14.778 -3.464 4.463 1.00 4.00 C ATOM 1761 C THR A 107 15.568 -4.154 3.337 1.00 73.02 C ATOM 1762 O THR A 107 16.778 -3.960 3.202 1.00 44.01 O ATOM 1763 CB THR A 107 15.310 -3.954 5.835 1.00 71.43 C ATOM 1764 OG1 THR A 107 16.710 -3.657 5.958 1.00 14.13 O ATOM 1765 CG2 THR A 107 15.088 -5.452 6.015 1.00 61.01 C ATOM 0 H THR A 107 12.936 -4.387 4.943 1.00 51.21 H new ATOM 0 HA THR A 107 14.929 -2.386 4.400 1.00 4.00 H new ATOM 0 HB THR A 107 14.755 -3.429 6.613 1.00 71.43 H new ATOM 0 HG1 THR A 107 17.134 -3.707 5.076 1.00 14.13 H new ATOM 0 HG21 THR A 107 15.472 -5.763 6.987 1.00 61.01 H new ATOM 0 HG22 THR A 107 14.022 -5.671 5.960 1.00 61.01 H new ATOM 0 HG23 THR A 107 15.611 -5.995 5.228 1.00 61.01 H new ATOM 1773 N ILE A 108 14.864 -4.961 2.533 1.00 13.43 N ATOM 1774 CA ILE A 108 15.454 -5.672 1.383 1.00 42.21 C ATOM 1775 C ILE A 108 16.520 -6.693 1.842 1.00 13.01 C ATOM 1776 O ILE A 108 17.405 -7.089 1.083 1.00 15.24 O ATOM 1777 CB ILE A 108 16.063 -4.678 0.343 1.00 45.25 C ATOM 1778 CG1 ILE A 108 15.090 -3.517 0.057 1.00 11.05 C ATOM 1779 CG2 ILE A 108 16.406 -5.396 -0.965 1.00 70.30 C ATOM 1780 CD1 ILE A 108 13.771 -3.946 -0.559 1.00 3.42 C ATOM 0 H ILE A 108 13.868 -5.142 2.659 1.00 13.43 H new ATOM 0 HA ILE A 108 14.646 -6.216 0.894 1.00 42.21 H new ATOM 0 HB ILE A 108 16.979 -4.273 0.773 1.00 45.25 H new ATOM 0 HG12 ILE A 108 14.888 -2.990 0.989 1.00 11.05 H new ATOM 0 HG13 ILE A 108 15.576 -2.807 -0.612 1.00 11.05 H new ATOM 0 HG21 ILE A 108 16.828 -4.682 -1.672 1.00 70.30 H new ATOM 0 HG22 ILE A 108 17.133 -6.184 -0.768 1.00 70.30 H new ATOM 0 HG23 ILE A 108 15.502 -5.834 -1.388 1.00 70.30 H new ATOM 0 HD11 ILE A 108 13.146 -3.069 -0.728 1.00 3.42 H new ATOM 0 HD12 ILE A 108 13.959 -4.446 -1.509 1.00 3.42 H new ATOM 0 HD13 ILE A 108 13.260 -4.631 0.117 1.00 3.42 H new ATOM 1792 N LYS A 109 16.399 -7.148 3.086 1.00 55.02 N ATOM 1793 CA LYS A 109 17.342 -8.114 3.660 1.00 34.22 C ATOM 1794 C LYS A 109 16.650 -8.993 4.709 1.00 2.13 C ATOM 1795 O LYS A 109 16.088 -8.487 5.681 1.00 71.45 O ATOM 1796 CB LYS A 109 18.535 -7.388 4.304 1.00 64.45 C ATOM 1797 CG LYS A 109 19.555 -8.328 4.943 1.00 14.23 C ATOM 1798 CD LYS A 109 20.644 -7.564 5.686 1.00 3.52 C ATOM 1799 CE LYS A 109 21.647 -8.502 6.352 1.00 52.02 C ATOM 1800 NZ LYS A 109 20.996 -9.435 7.311 1.00 62.51 N ATOM 0 H LYS A 109 15.654 -6.864 3.722 1.00 55.02 H new ATOM 0 HA LYS A 109 17.704 -8.748 2.851 1.00 34.22 H new ATOM 0 HB2 LYS A 109 19.035 -6.786 3.545 1.00 64.45 H new ATOM 0 HB3 LYS A 109 18.163 -6.700 5.063 1.00 64.45 H new ATOM 0 HG2 LYS A 109 19.046 -9.000 5.635 1.00 14.23 H new ATOM 0 HG3 LYS A 109 20.009 -8.949 4.171 1.00 14.23 H new ATOM 0 HD2 LYS A 109 21.167 -6.909 4.989 1.00 3.52 H new ATOM 0 HD3 LYS A 109 20.187 -6.925 6.442 1.00 3.52 H new ATOM 0 HE2 LYS A 109 22.168 -9.077 5.586 1.00 52.02 H new ATOM 0 HE3 LYS A 109 22.400 -7.913 6.876 1.00 52.02 H new ATOM 0 HZ1 LYS A 109 21.723 -10.005 7.788 1.00 62.51 H new ATOM 0 HZ2 LYS A 109 20.464 -8.890 8.019 1.00 62.51 H new ATOM 0 HZ3 LYS A 109 20.345 -10.063 6.797 1.00 62.51 H new ATOM 1814 N LEU A 110 16.690 -10.307 4.511 1.00 13.35 N ATOM 1815 CA LEU A 110 16.083 -11.246 5.457 1.00 10.34 C ATOM 1816 C LEU A 110 16.913 -11.348 6.748 1.00 61.53 C ATOM 1817 O LEU A 110 17.937 -12.034 6.778 1.00 51.02 O ATOM 1818 CB LEU A 110 15.944 -12.631 4.811 1.00 65.03 C ATOM 1819 CG LEU A 110 15.316 -13.717 5.703 1.00 63.21 C ATOM 1820 CD1 LEU A 110 13.873 -13.364 6.063 1.00 42.30 C ATOM 1821 CD2 LEU A 110 15.391 -15.080 5.021 1.00 2.45 C ATOM 0 H LEU A 110 17.135 -10.748 3.706 1.00 13.35 H new ATOM 0 HA LEU A 110 15.094 -10.870 5.718 1.00 10.34 H new ATOM 0 HB2 LEU A 110 15.341 -12.533 3.908 1.00 65.03 H new ATOM 0 HB3 LEU A 110 16.932 -12.968 4.499 1.00 65.03 H new ATOM 0 HG LEU A 110 15.887 -13.768 6.630 1.00 63.21 H new ATOM 0 HD11 LEU A 110 13.453 -14.148 6.694 1.00 42.30 H new ATOM 0 HD12 LEU A 110 13.854 -12.416 6.601 1.00 42.30 H new ATOM 0 HD13 LEU A 110 13.282 -13.276 5.152 1.00 42.30 H new ATOM 0 HD21 LEU A 110 14.942 -15.835 5.667 1.00 2.45 H new ATOM 0 HD22 LEU A 110 14.851 -15.044 4.075 1.00 2.45 H new ATOM 0 HD23 LEU A 110 16.434 -15.336 4.834 1.00 2.45 H new ATOM 1833 N GLU A 111 16.475 -10.647 7.795 1.00 2.15 N ATOM 1834 CA GLU A 111 17.140 -10.674 9.111 1.00 2.23 C ATOM 1835 C GLU A 111 18.593 -10.134 9.032 1.00 73.03 C ATOM 1836 O GLU A 111 19.552 -10.941 9.039 1.00 38.28 O ATOM 1837 CB GLU A 111 17.105 -12.108 9.683 1.00 63.32 C ATOM 1838 CG GLU A 111 17.588 -12.232 11.128 1.00 72.01 C ATOM 1839 CD GLU A 111 16.746 -11.429 12.108 1.00 15.34 C ATOM 1840 OE1 GLU A 111 15.665 -11.910 12.509 1.00 13.11 O ATOM 1841 OE2 GLU A 111 17.162 -10.314 12.484 1.00 41.00 O ATOM 0 H GLU A 111 15.653 -10.045 7.761 1.00 2.15 H new ATOM 0 HA GLU A 111 16.596 -10.012 9.785 1.00 2.23 H new ATOM 0 HB2 GLU A 111 16.084 -12.484 9.622 1.00 63.32 H new ATOM 0 HB3 GLU A 111 17.719 -12.751 9.053 1.00 63.32 H new ATOM 0 HG2 GLU A 111 17.574 -13.282 11.421 1.00 72.01 H new ATOM 0 HG3 GLU A 111 18.624 -11.898 11.189 1.00 72.01 H new TER 1848 GLU A 111