USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1079 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 51 LYS NZ :NH3+ 153:sc= 1.3 (180deg=1.14) USER MOD Set 1.2: A 105 GLN : amide:sc= -2.67! C(o=-1.4!,f=-6!) USER MOD Set 2.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 100 SER OG : rot -5:sc= 0.937 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.112 USER MOD Set 3.2: A 86 LYS NZ :NH3+ -142:sc= 0.112 (180deg=-0.0548) USER MOD Single : A 1 SER N :NH3+ -178:sc= -0.241! (180deg=-0.242!) USER MOD Single : A 1 SER OG : rot 130:sc= 0.985 USER MOD Single : A 2 MET CE :methyl 164:sc= -0.0634 (180deg=-0.421) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.1) USER MOD Single : A 20 SER OG : rot 90:sc= 1.25 USER MOD Single : A 21 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.2) USER MOD Single : A 29 THR OG1 : rot 158:sc= -3.39! USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 131:sc= 1.31 USER MOD Single : A 40 ASN : amide:sc= -4.12! C(o=-4.1!,f=-12!) USER MOD Single : A 47 CYS SG : rot 58:sc= -0.363 USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 0.541 (180deg=-0.0543) USER MOD Single : A 53 SER OG : rot 92:sc= 0.797 USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 0.105 (180deg=-2.57!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 58 GLN : amide:sc= -2.02 K(o=-2,f=-5!) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -1.13 F(o=-1.9,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.17) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0.523 (180deg=0.376) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.627 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.811 K(o=-0.81,f=-4.9!) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= 1.14 (180deg=0.824) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.6 K(o=0.6,f=-2.6!) USER MOD Single : A 85 THR OG1 : rot -110:sc= -0.529 USER MOD Single : A 90 THR OG1 : rot -10:sc= 1.17 USER MOD Single : A 91 ASN : amide:sc= 0.807 K(o=0.81,f=-0.011) USER MOD Single : A 92 SER OG : rot 81:sc= 0.899 USER MOD Single : A 94 THR OG1 : rot -35:sc= 0.293 USER MOD Single : A 95 GLN : amide:sc= 1.12 K(o=1.1,f=-0.45) USER MOD Single : A 99 HIS : no HE2:sc= 0.0917 K(o=0.092,f=-6.6!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 51:sc= 1.21 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl -163:sc= -1.43 (180deg=-1.6) USER MOD Single : A 114 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.38) USER MOD Single : A 116 SER OG : rot -82:sc= 0.715 USER MOD Single : A 117 TYR OH : rot 9:sc= 1.32 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0751 USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0148) USER MOD Single : A 123 SER OG : rot -42:sc= 0.558 USER MOD Single : A 126 TYR OH : rot -11:sc= 0.977 USER MOD Single : A 130 MET CE :methyl -109:sc= -5.32! (180deg=-7.44!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 136.689 4.731 8.108 1.00 0.00 N ATOM 2 CA SER A 1 137.307 5.966 7.662 1.00 0.00 C ATOM 3 C SER A 1 138.771 5.730 7.261 1.00 0.00 C ATOM 4 O SER A 1 139.502 6.681 6.977 1.00 0.00 O ATOM 5 CB SER A 1 137.237 6.989 8.792 1.00 0.00 C ATOM 6 OG SER A 1 135.889 7.181 9.226 1.00 0.00 O ATOM 0 H1 SER A 1 135.691 4.907 8.342 1.00 0.00 H new ATOM 0 H2 SER A 1 136.747 4.020 7.351 1.00 0.00 H new ATOM 0 H3 SER A 1 137.185 4.379 8.952 1.00 0.00 H new ATOM 0 HA SER A 1 136.772 6.337 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 1 137.848 6.653 9.630 1.00 0.00 H new ATOM 0 HB3 SER A 1 137.653 7.938 8.454 1.00 0.00 H new ATOM 0 HG SER A 1 135.845 7.100 10.202 1.00 0.00 H new ATOM 14 N MET A 2 139.197 4.472 7.203 1.00 0.00 N ATOM 15 CA MET A 2 140.570 4.174 6.909 1.00 0.00 C ATOM 16 C MET A 2 140.722 3.944 5.424 1.00 0.00 C ATOM 17 O MET A 2 140.652 2.808 4.924 1.00 0.00 O ATOM 18 CB MET A 2 141.080 2.986 7.733 1.00 0.00 C ATOM 19 CG MET A 2 142.568 2.710 7.574 1.00 0.00 C ATOM 20 SD MET A 2 143.151 1.384 8.654 1.00 0.00 S ATOM 21 CE MET A 2 142.215 -0.017 8.024 1.00 0.00 C ATOM 0 H MET A 2 138.605 3.656 7.357 1.00 0.00 H new ATOM 0 HA MET A 2 141.189 5.025 7.194 1.00 0.00 H new ATOM 0 HB2 MET A 2 140.866 3.170 8.786 1.00 0.00 H new ATOM 0 HB3 MET A 2 140.524 2.094 7.446 1.00 0.00 H new ATOM 0 HG2 MET A 2 142.776 2.446 6.537 1.00 0.00 H new ATOM 0 HG3 MET A 2 143.127 3.621 7.789 1.00 0.00 H new ATOM 0 HE1 MET A 2 142.661 -0.944 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 2 141.184 0.049 8.371 1.00 0.00 H new ATOM 0 HE3 MET A 2 142.232 -0.006 6.934 1.00 0.00 H new ATOM 31 N VAL A 3 140.827 5.031 4.727 1.00 0.00 N ATOM 32 CA VAL A 3 140.943 5.051 3.307 1.00 0.00 C ATOM 33 C VAL A 3 141.695 6.297 2.870 1.00 0.00 C ATOM 34 O VAL A 3 141.381 7.404 3.307 1.00 0.00 O ATOM 35 CB VAL A 3 139.529 4.969 2.628 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.562 5.969 3.245 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.611 5.204 1.130 1.00 0.00 C ATOM 0 H VAL A 3 140.834 5.960 5.148 1.00 0.00 H new ATOM 0 HA VAL A 3 141.508 4.176 2.986 1.00 0.00 H new ATOM 0 HB VAL A 3 139.157 3.959 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.592 5.888 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.449 5.757 4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.951 6.979 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.613 5.139 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.026 6.194 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.253 4.448 0.678 1.00 0.00 H new ATOM 47 N SER A 4 142.721 6.096 2.079 1.00 0.00 N ATOM 48 CA SER A 4 143.483 7.176 1.509 1.00 0.00 C ATOM 49 C SER A 4 142.569 7.966 0.565 1.00 0.00 C ATOM 50 O SER A 4 141.729 7.367 -0.111 1.00 0.00 O ATOM 51 CB SER A 4 144.690 6.582 0.746 1.00 0.00 C ATOM 52 OG SER A 4 145.490 7.578 0.110 1.00 0.00 O ATOM 0 H SER A 4 143.052 5.169 1.812 1.00 0.00 H new ATOM 0 HA SER A 4 143.857 7.847 2.282 1.00 0.00 H new ATOM 0 HB2 SER A 4 145.309 6.015 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.329 5.879 -0.005 1.00 0.00 H new ATOM 0 HG SER A 4 146.238 7.149 -0.355 1.00 0.00 H new ATOM 58 N PRO A 5 142.695 9.310 0.514 1.00 0.00 N ATOM 59 CA PRO A 5 141.870 10.162 -0.356 1.00 0.00 C ATOM 60 C PRO A 5 141.885 9.691 -1.814 1.00 0.00 C ATOM 61 O PRO A 5 140.888 9.795 -2.517 1.00 0.00 O ATOM 62 CB PRO A 5 142.504 11.558 -0.231 1.00 0.00 C ATOM 63 CG PRO A 5 143.785 11.355 0.514 1.00 0.00 C ATOM 64 CD PRO A 5 143.621 10.108 1.325 1.00 0.00 C ATOM 0 HA PRO A 5 140.822 10.140 -0.059 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.687 11.994 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.844 12.241 0.304 1.00 0.00 H new ATOM 0 HG2 PRO A 5 144.623 11.259 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 5 143.998 12.209 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.571 9.596 1.475 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.213 10.319 2.314 1.00 0.00 H new ATOM 72 N GLU A 6 143.006 9.109 -2.237 1.00 0.00 N ATOM 73 CA GLU A 6 143.130 8.585 -3.595 1.00 0.00 C ATOM 74 C GLU A 6 142.243 7.357 -3.760 1.00 0.00 C ATOM 75 O GLU A 6 141.535 7.209 -4.749 1.00 0.00 O ATOM 76 CB GLU A 6 144.572 8.211 -3.910 1.00 0.00 C ATOM 77 CG GLU A 6 145.558 9.351 -3.796 1.00 0.00 C ATOM 78 CD GLU A 6 146.948 8.925 -4.175 1.00 0.00 C ATOM 79 OE1 GLU A 6 147.644 8.315 -3.336 1.00 0.00 O ATOM 80 OE2 GLU A 6 147.358 9.157 -5.327 1.00 0.00 O ATOM 0 H GLU A 6 143.839 8.989 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 6 142.814 9.366 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.881 7.412 -3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.616 7.810 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.241 10.172 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.560 9.730 -2.774 1.00 0.00 H new ATOM 87 N GLU A 7 142.239 6.523 -2.745 1.00 0.00 N ATOM 88 CA GLU A 7 141.472 5.291 -2.754 1.00 0.00 C ATOM 89 C GLU A 7 139.979 5.645 -2.704 1.00 0.00 C ATOM 90 O GLU A 7 139.132 4.951 -3.280 1.00 0.00 O ATOM 91 CB GLU A 7 141.868 4.439 -1.535 1.00 0.00 C ATOM 92 CG GLU A 7 141.367 3.011 -1.562 1.00 0.00 C ATOM 93 CD GLU A 7 142.047 2.193 -2.627 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.677 2.305 -3.808 1.00 0.00 O ATOM 95 OE2 GLU A 7 142.978 1.423 -2.293 1.00 0.00 O ATOM 0 H GLU A 7 142.768 6.677 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 7 141.675 4.718 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.955 4.425 -1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.491 4.923 -0.634 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.535 2.550 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.291 3.008 -1.735 1.00 0.00 H new ATOM 102 N ALA A 8 139.690 6.754 -2.036 1.00 0.00 N ATOM 103 CA ALA A 8 138.349 7.263 -1.897 1.00 0.00 C ATOM 104 C ALA A 8 137.852 7.909 -3.200 1.00 0.00 C ATOM 105 O ALA A 8 136.686 7.751 -3.548 1.00 0.00 O ATOM 106 CB ALA A 8 138.265 8.226 -0.707 1.00 0.00 C ATOM 0 H ALA A 8 140.396 7.326 -1.573 1.00 0.00 H new ATOM 0 HA ALA A 8 137.683 6.424 -1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.246 8.602 -0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.542 7.700 0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.947 9.061 -0.866 1.00 0.00 H new ATOM 112 N VAL A 9 138.730 8.642 -3.937 1.00 0.00 N ATOM 113 CA VAL A 9 138.305 9.238 -5.230 1.00 0.00 C ATOM 114 C VAL A 9 137.910 8.151 -6.214 1.00 0.00 C ATOM 115 O VAL A 9 137.018 8.346 -7.044 1.00 0.00 O ATOM 116 CB VAL A 9 139.339 10.225 -5.913 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.724 11.373 -5.010 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.577 9.526 -6.452 1.00 0.00 C ATOM 0 H VAL A 9 139.697 8.829 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 9 137.450 9.860 -4.967 1.00 0.00 H new ATOM 0 HB VAL A 9 138.809 10.636 -6.772 1.00 0.00 H new ATOM 0 HG11 VAL A 9 140.434 12.019 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.834 11.946 -4.751 1.00 0.00 H new ATOM 0 HG13 VAL A 9 140.182 10.983 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A 9 141.241 10.261 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 9 141.096 9.023 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.283 8.791 -7.202 1.00 0.00 H new ATOM 128 N LYS A 10 138.544 6.988 -6.079 1.00 0.00 N ATOM 129 CA LYS A 10 138.237 5.834 -6.928 1.00 0.00 C ATOM 130 C LYS A 10 136.774 5.387 -6.721 1.00 0.00 C ATOM 131 O LYS A 10 136.128 4.871 -7.628 1.00 0.00 O ATOM 132 CB LYS A 10 139.181 4.662 -6.612 1.00 0.00 C ATOM 133 CG LYS A 10 140.661 4.999 -6.651 1.00 0.00 C ATOM 134 CD LYS A 10 141.106 5.533 -8.000 1.00 0.00 C ATOM 135 CE LYS A 10 142.554 5.991 -7.943 1.00 0.00 C ATOM 136 NZ LYS A 10 143.018 6.524 -9.239 1.00 0.00 N ATOM 0 H LYS A 10 139.275 6.818 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 10 138.377 6.133 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.938 4.277 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.988 3.859 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.881 5.739 -5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.239 4.107 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.994 4.759 -8.759 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.467 6.365 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.661 6.758 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 10 143.187 5.154 -7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 144.010 6.825 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.940 5.785 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 142.431 7.339 -9.510 1.00 0.00 H new ATOM 150 N TRP A 11 136.246 5.635 -5.534 1.00 0.00 N ATOM 151 CA TRP A 11 134.874 5.247 -5.190 1.00 0.00 C ATOM 152 C TRP A 11 133.852 6.059 -5.968 1.00 0.00 C ATOM 153 O TRP A 11 132.707 5.639 -6.131 1.00 0.00 O ATOM 154 CB TRP A 11 134.611 5.417 -3.697 1.00 0.00 C ATOM 155 CG TRP A 11 135.450 4.550 -2.816 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.216 3.495 -3.191 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.566 4.645 -1.397 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.825 2.943 -2.102 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.434 3.626 -0.983 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.018 5.502 -0.437 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.769 3.435 0.347 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.349 5.306 0.889 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.214 4.281 1.268 1.00 0.00 C ATOM 0 H TRP A 11 136.746 6.107 -4.781 1.00 0.00 H new ATOM 0 HA TRP A 11 134.770 4.196 -5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.781 6.459 -3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.560 5.204 -3.500 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.328 3.143 -4.206 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.467 2.151 -2.119 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.350 6.300 -0.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.444 2.647 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.932 5.956 1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.452 4.151 2.313 1.00 0.00 H new ATOM 174 N GLY A 12 134.285 7.201 -6.472 1.00 0.00 N ATOM 175 CA GLY A 12 133.405 8.080 -7.208 1.00 0.00 C ATOM 176 C GLY A 12 133.258 7.655 -8.643 1.00 0.00 C ATOM 177 O GLY A 12 132.440 8.199 -9.378 1.00 0.00 O ATOM 0 H GLY A 12 135.243 7.539 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.425 8.094 -6.732 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.793 9.098 -7.169 1.00 0.00 H new ATOM 181 N GLU A 13 134.047 6.674 -9.040 1.00 0.00 N ATOM 182 CA GLU A 13 134.002 6.175 -10.388 1.00 0.00 C ATOM 183 C GLU A 13 132.865 5.188 -10.529 1.00 0.00 C ATOM 184 O GLU A 13 131.955 5.373 -11.339 1.00 0.00 O ATOM 185 CB GLU A 13 135.294 5.470 -10.745 1.00 0.00 C ATOM 186 CG GLU A 13 136.543 6.276 -10.508 1.00 0.00 C ATOM 187 CD GLU A 13 137.740 5.558 -11.026 1.00 0.00 C ATOM 188 OE1 GLU A 13 138.319 4.720 -10.308 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.103 5.780 -12.196 1.00 0.00 O ATOM 0 H GLU A 13 134.728 6.209 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 13 133.856 7.023 -11.057 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.359 4.548 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.257 5.185 -11.797 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.454 7.246 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 13 136.661 6.467 -9.441 1.00 0.00 H new ATOM 196 N SER A 14 132.905 4.153 -9.728 1.00 0.00 N ATOM 197 CA SER A 14 131.925 3.107 -9.805 1.00 0.00 C ATOM 198 C SER A 14 131.469 2.722 -8.402 1.00 0.00 C ATOM 199 O SER A 14 132.305 2.542 -7.493 1.00 0.00 O ATOM 200 CB SER A 14 132.541 1.899 -10.518 1.00 0.00 C ATOM 201 OG SER A 14 133.103 2.279 -11.775 1.00 0.00 O ATOM 0 H SER A 14 133.615 4.015 -9.009 1.00 0.00 H new ATOM 0 HA SER A 14 131.057 3.452 -10.367 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.313 1.456 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 14 131.779 1.135 -10.672 1.00 0.00 H new ATOM 0 HG SER A 14 133.492 1.492 -12.211 1.00 0.00 H new ATOM 207 N PHE A 15 130.163 2.589 -8.225 1.00 0.00 N ATOM 208 CA PHE A 15 129.582 2.226 -6.942 1.00 0.00 C ATOM 209 C PHE A 15 130.057 0.850 -6.501 1.00 0.00 C ATOM 210 O PHE A 15 130.250 0.618 -5.325 1.00 0.00 O ATOM 211 CB PHE A 15 128.047 2.298 -7.008 1.00 0.00 C ATOM 212 CG PHE A 15 127.309 1.941 -5.732 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.679 2.469 -4.500 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.223 1.104 -5.781 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.966 2.157 -3.351 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.522 0.790 -4.647 1.00 0.00 C ATOM 217 CZ PHE A 15 125.892 1.318 -3.434 1.00 0.00 C ATOM 0 H PHE A 15 129.477 2.730 -8.967 1.00 0.00 H new ATOM 0 HA PHE A 15 129.919 2.943 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.763 3.310 -7.298 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.706 1.632 -7.800 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.531 3.130 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.916 0.686 -6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 15 127.258 2.574 -2.399 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.674 0.124 -4.707 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.332 1.069 -2.544 1.00 0.00 H new ATOM 227 N ASP A 16 130.304 -0.037 -7.456 1.00 0.00 N ATOM 228 CA ASP A 16 130.785 -1.384 -7.126 1.00 0.00 C ATOM 229 C ASP A 16 132.173 -1.323 -6.497 1.00 0.00 C ATOM 230 O ASP A 16 132.492 -2.112 -5.624 1.00 0.00 O ATOM 231 CB ASP A 16 130.796 -2.339 -8.339 1.00 0.00 C ATOM 232 CG ASP A 16 131.858 -2.031 -9.381 1.00 0.00 C ATOM 233 OD1 ASP A 16 133.023 -2.422 -9.205 1.00 0.00 O ATOM 234 OD2 ASP A 16 131.536 -1.410 -10.408 1.00 0.00 O ATOM 0 H ASP A 16 130.183 0.142 -8.453 1.00 0.00 H new ATOM 0 HA ASP A 16 130.075 -1.792 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.943 -3.358 -7.981 1.00 0.00 H new ATOM 0 HB3 ASP A 16 129.817 -2.308 -8.818 1.00 0.00 H new ATOM 239 N LYS A 17 132.970 -0.345 -6.910 1.00 0.00 N ATOM 240 CA LYS A 17 134.319 -0.171 -6.387 1.00 0.00 C ATOM 241 C LYS A 17 134.256 0.314 -4.949 1.00 0.00 C ATOM 242 O LYS A 17 135.048 -0.098 -4.091 1.00 0.00 O ATOM 243 CB LYS A 17 135.106 0.811 -7.259 1.00 0.00 C ATOM 244 CG LYS A 17 136.464 1.157 -6.697 1.00 0.00 C ATOM 245 CD LYS A 17 137.300 2.002 -7.637 1.00 0.00 C ATOM 246 CE LYS A 17 137.544 1.334 -8.976 1.00 0.00 C ATOM 247 NZ LYS A 17 138.450 2.137 -9.819 1.00 0.00 N ATOM 0 H LYS A 17 132.702 0.345 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 17 134.836 -1.130 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.231 0.383 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.526 1.726 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.335 1.691 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.002 0.236 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.801 2.957 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.258 2.220 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 17 137.973 0.344 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 17 136.595 1.192 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 138.452 1.757 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.125 3.125 -9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 139.414 2.096 -9.430 1.00 0.00 H new ATOM 261 N LEU A 18 133.313 1.176 -4.713 1.00 0.00 N ATOM 262 CA LEU A 18 133.034 1.709 -3.403 1.00 0.00 C ATOM 263 C LEU A 18 132.522 0.610 -2.487 1.00 0.00 C ATOM 264 O LEU A 18 133.022 0.402 -1.383 1.00 0.00 O ATOM 265 CB LEU A 18 131.952 2.771 -3.565 1.00 0.00 C ATOM 266 CG LEU A 18 131.218 3.228 -2.310 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.132 3.934 -1.356 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.099 4.118 -2.700 1.00 0.00 C ATOM 0 H LEU A 18 132.698 1.540 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 18 133.939 2.130 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.408 3.648 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.211 2.391 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 18 130.834 2.347 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.570 4.243 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.935 3.261 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.557 4.812 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.569 4.449 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.492 4.985 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.412 3.575 -3.349 1.00 0.00 H new ATOM 280 N LEU A 19 131.560 -0.099 -2.991 1.00 0.00 N ATOM 281 CA LEU A 19 130.817 -1.079 -2.258 1.00 0.00 C ATOM 282 C LEU A 19 131.648 -2.321 -1.939 1.00 0.00 C ATOM 283 O LEU A 19 131.486 -2.929 -0.879 1.00 0.00 O ATOM 284 CB LEU A 19 129.605 -1.439 -3.075 1.00 0.00 C ATOM 285 CG LEU A 19 128.419 -1.936 -2.315 1.00 0.00 C ATOM 286 CD1 LEU A 19 127.976 -0.864 -1.313 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.312 -2.248 -3.296 1.00 0.00 C ATOM 0 H LEU A 19 131.259 -0.008 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 19 130.524 -0.661 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.303 -0.560 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.894 -2.203 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 19 128.668 -2.842 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.110 -1.222 -0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.791 -0.654 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.711 0.047 -1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.439 -2.612 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.048 -1.345 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.650 -3.012 -3.996 1.00 0.00 H new ATOM 299 N SER A 20 132.554 -2.677 -2.833 1.00 0.00 N ATOM 300 CA SER A 20 133.424 -3.833 -2.623 1.00 0.00 C ATOM 301 C SER A 20 134.570 -3.486 -1.666 1.00 0.00 C ATOM 302 O SER A 20 135.398 -4.328 -1.319 1.00 0.00 O ATOM 303 CB SER A 20 133.974 -4.335 -3.960 1.00 0.00 C ATOM 304 OG SER A 20 132.910 -4.660 -4.855 1.00 0.00 O ATOM 0 H SER A 20 132.710 -2.186 -3.713 1.00 0.00 H new ATOM 0 HA SER A 20 132.833 -4.629 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.611 -3.571 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.598 -5.213 -3.795 1.00 0.00 H new ATOM 0 HG SER A 20 132.672 -3.869 -5.382 1.00 0.00 H new ATOM 310 N HIS A 21 134.605 -2.252 -1.233 1.00 0.00 N ATOM 311 CA HIS A 21 135.602 -1.807 -0.317 1.00 0.00 C ATOM 312 C HIS A 21 134.902 -1.691 1.006 1.00 0.00 C ATOM 313 O HIS A 21 133.984 -0.909 1.121 1.00 0.00 O ATOM 314 CB HIS A 21 136.115 -0.428 -0.734 1.00 0.00 C ATOM 315 CG HIS A 21 137.578 -0.222 -0.523 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.112 0.421 0.565 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.625 -0.543 -1.308 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.418 0.488 0.435 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.748 -0.091 -0.689 1.00 0.00 N ATOM 0 H HIS A 21 133.938 -1.532 -1.511 1.00 0.00 H new ATOM 0 HA HIS A 21 136.451 -2.489 -0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 21 135.888 -0.273 -1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.570 0.333 -0.176 1.00 0.00 H new ATOM 0 HD2 HIS A 21 138.580 -1.063 -2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.101 0.943 1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 21 140.699 -0.189 -1.046 1.00 0.00 H new ATOM 328 N ARG A 22 135.303 -2.472 1.979 1.00 0.00 N ATOM 329 CA ARG A 22 134.636 -2.484 3.298 1.00 0.00 C ATOM 330 C ARG A 22 134.495 -1.089 3.918 1.00 0.00 C ATOM 331 O ARG A 22 133.440 -0.741 4.402 1.00 0.00 O ATOM 332 CB ARG A 22 135.341 -3.417 4.264 1.00 0.00 C ATOM 333 CG ARG A 22 135.299 -4.875 3.872 1.00 0.00 C ATOM 334 CD ARG A 22 135.985 -5.720 4.919 1.00 0.00 C ATOM 335 NE ARG A 22 135.993 -7.138 4.573 1.00 0.00 N ATOM 336 CZ ARG A 22 136.755 -8.061 5.171 1.00 0.00 C ATOM 337 NH1 ARG A 22 137.573 -7.721 6.175 1.00 0.00 N ATOM 338 NH2 ARG A 22 136.695 -9.316 4.770 1.00 0.00 N ATOM 0 H ARG A 22 136.089 -3.117 1.901 1.00 0.00 H new ATOM 0 HA ARG A 22 133.627 -2.855 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 22 136.382 -3.108 4.353 1.00 0.00 H new ATOM 0 HB3 ARG A 22 134.890 -3.306 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 22 134.264 -5.197 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 22 135.786 -5.013 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.011 -5.374 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 22 135.482 -5.585 5.877 1.00 0.00 H new ATOM 0 HE ARG A 22 135.375 -7.447 3.823 1.00 0.00 H new ATOM 0 HH11 ARG A 22 137.619 -6.752 6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 22 138.150 -8.431 6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 136.070 -9.579 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 22 137.274 -10.024 5.222 1.00 0.00 H new ATOM 352 N ASP A 23 135.534 -0.281 3.845 1.00 0.00 N ATOM 353 CA ASP A 23 135.484 1.068 4.428 1.00 0.00 C ATOM 354 C ASP A 23 134.600 1.986 3.567 1.00 0.00 C ATOM 355 O ASP A 23 134.095 3.002 4.027 1.00 0.00 O ATOM 356 CB ASP A 23 136.894 1.657 4.562 1.00 0.00 C ATOM 357 CG ASP A 23 136.990 2.729 5.628 1.00 0.00 C ATOM 358 OD1 ASP A 23 136.741 3.896 5.360 1.00 0.00 O ATOM 359 OD2 ASP A 23 137.346 2.405 6.790 1.00 0.00 O ATOM 0 H ASP A 23 136.418 -0.520 3.396 1.00 0.00 H new ATOM 0 HA ASP A 23 135.050 0.995 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.595 0.856 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.199 2.077 3.604 1.00 0.00 H new ATOM 364 N GLY A 24 134.381 1.587 2.318 1.00 0.00 N ATOM 365 CA GLY A 24 133.533 2.351 1.423 1.00 0.00 C ATOM 366 C GLY A 24 132.106 1.980 1.622 1.00 0.00 C ATOM 367 O GLY A 24 131.228 2.832 1.637 1.00 0.00 O ATOM 0 H GLY A 24 134.779 0.742 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.667 3.417 1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.823 2.165 0.389 1.00 0.00 H new ATOM 371 N LEU A 25 131.884 0.697 1.777 1.00 0.00 N ATOM 372 CA LEU A 25 130.607 0.157 2.163 1.00 0.00 C ATOM 373 C LEU A 25 130.185 0.798 3.476 1.00 0.00 C ATOM 374 O LEU A 25 129.029 1.161 3.669 1.00 0.00 O ATOM 375 CB LEU A 25 130.721 -1.393 2.243 1.00 0.00 C ATOM 376 CG LEU A 25 129.893 -2.152 3.299 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.656 -3.569 2.813 1.00 0.00 C ATOM 378 CD2 LEU A 25 130.673 -2.227 4.627 1.00 0.00 C ATOM 0 H LEU A 25 132.602 -0.013 1.635 1.00 0.00 H new ATOM 0 HA LEU A 25 129.833 0.383 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.453 -1.793 1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 131.770 -1.637 2.410 1.00 0.00 H new ATOM 0 HG LEU A 25 128.949 -1.630 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.071 -4.114 3.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.113 -3.544 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.614 -4.069 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.080 -2.765 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 25 131.615 -2.751 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 25 130.875 -1.218 4.988 1.00 0.00 H new ATOM 390 N GLU A 26 131.166 0.983 4.328 1.00 0.00 N ATOM 391 CA GLU A 26 131.008 1.630 5.584 1.00 0.00 C ATOM 392 C GLU A 26 130.721 3.128 5.389 1.00 0.00 C ATOM 393 O GLU A 26 129.857 3.664 6.049 1.00 0.00 O ATOM 394 CB GLU A 26 132.244 1.355 6.430 1.00 0.00 C ATOM 395 CG GLU A 26 132.285 2.010 7.808 1.00 0.00 C ATOM 396 CD GLU A 26 131.129 1.631 8.702 1.00 0.00 C ATOM 397 OE1 GLU A 26 130.703 0.470 8.683 1.00 0.00 O ATOM 398 OE2 GLU A 26 130.663 2.487 9.490 1.00 0.00 O ATOM 0 H GLU A 26 132.121 0.673 4.149 1.00 0.00 H new ATOM 0 HA GLU A 26 130.144 1.233 6.117 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.334 0.277 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.120 1.682 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.218 1.736 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.296 3.093 7.684 1.00 0.00 H new ATOM 405 N ALA A 27 131.397 3.786 4.440 1.00 0.00 N ATOM 406 CA ALA A 27 131.106 5.205 4.179 1.00 0.00 C ATOM 407 C ALA A 27 129.662 5.340 3.667 1.00 0.00 C ATOM 408 O ALA A 27 128.901 6.224 4.102 1.00 0.00 O ATOM 409 CB ALA A 27 132.096 5.821 3.162 1.00 0.00 C ATOM 0 H ALA A 27 132.127 3.378 3.856 1.00 0.00 H new ATOM 0 HA ALA A 27 131.222 5.754 5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.845 6.869 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.111 5.748 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.031 5.281 2.218 1.00 0.00 H new ATOM 415 N PHE A 28 129.276 4.422 2.794 1.00 0.00 N ATOM 416 CA PHE A 28 127.964 4.433 2.198 1.00 0.00 C ATOM 417 C PHE A 28 126.884 4.121 3.231 1.00 0.00 C ATOM 418 O PHE A 28 125.881 4.820 3.287 1.00 0.00 O ATOM 419 CB PHE A 28 127.888 3.468 1.006 1.00 0.00 C ATOM 420 CG PHE A 28 126.589 3.546 0.250 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.368 4.566 -0.658 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.592 2.606 0.446 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.183 4.648 -1.353 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.404 2.682 -0.246 1.00 0.00 C ATOM 425 CZ PHE A 28 124.199 3.706 -1.148 1.00 0.00 C ATOM 0 H PHE A 28 129.869 3.652 2.484 1.00 0.00 H new ATOM 0 HA PHE A 28 127.780 5.439 1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.710 3.682 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.029 2.449 1.365 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.135 5.308 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.748 1.803 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.025 5.450 -2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.634 1.942 -0.083 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.268 3.769 -1.692 1.00 0.00 H new ATOM 435 N THR A 29 127.099 3.095 4.066 1.00 0.00 N ATOM 436 CA THR A 29 126.112 2.741 5.085 1.00 0.00 C ATOM 437 C THR A 29 125.916 3.905 6.054 1.00 0.00 C ATOM 438 O THR A 29 124.818 4.168 6.485 1.00 0.00 O ATOM 439 CB THR A 29 126.435 1.402 5.863 1.00 0.00 C ATOM 440 OG1 THR A 29 125.354 1.066 6.747 1.00 0.00 O ATOM 441 CG2 THR A 29 127.695 1.515 6.694 1.00 0.00 C ATOM 0 H THR A 29 127.933 2.508 4.055 1.00 0.00 H new ATOM 0 HA THR A 29 125.181 2.545 4.553 1.00 0.00 H new ATOM 0 HB THR A 29 126.575 0.630 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 29 125.378 0.106 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 29 127.876 0.572 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.540 1.742 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.577 2.313 7.427 1.00 0.00 H new ATOM 449 N ARG A 30 126.980 4.655 6.308 1.00 0.00 N ATOM 450 CA ARG A 30 126.904 5.816 7.200 1.00 0.00 C ATOM 451 C ARG A 30 125.943 6.858 6.655 1.00 0.00 C ATOM 452 O ARG A 30 125.115 7.405 7.397 1.00 0.00 O ATOM 453 CB ARG A 30 128.283 6.416 7.462 1.00 0.00 C ATOM 454 CG ARG A 30 129.167 5.498 8.265 1.00 0.00 C ATOM 455 CD ARG A 30 130.569 6.031 8.425 1.00 0.00 C ATOM 456 NE ARG A 30 131.383 5.112 9.223 1.00 0.00 N ATOM 457 CZ ARG A 30 132.614 5.348 9.650 1.00 0.00 C ATOM 458 NH1 ARG A 30 133.312 6.348 9.145 1.00 0.00 N ATOM 459 NH2 ARG A 30 133.177 4.531 10.526 1.00 0.00 N ATOM 0 H ARG A 30 127.905 4.485 5.913 1.00 0.00 H new ATOM 0 HA ARG A 30 126.516 5.470 8.158 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.765 6.640 6.510 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.170 7.362 7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 30 128.726 5.346 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.207 4.523 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.025 6.171 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 30 130.539 7.009 8.905 1.00 0.00 H new ATOM 0 HE ARG A 30 130.967 4.214 9.471 1.00 0.00 H new ATOM 0 HH11 ARG A 30 132.903 6.942 8.423 1.00 0.00 H new ATOM 0 HH12 ARG A 30 134.260 6.527 9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 132.663 3.721 10.871 1.00 0.00 H new ATOM 0 HH22 ARG A 30 134.125 4.712 10.856 1.00 0.00 H new ATOM 473 N PHE A 31 126.014 7.094 5.369 1.00 0.00 N ATOM 474 CA PHE A 31 125.092 8.009 4.725 1.00 0.00 C ATOM 475 C PHE A 31 123.698 7.374 4.610 1.00 0.00 C ATOM 476 O PHE A 31 122.671 8.034 4.737 1.00 0.00 O ATOM 477 CB PHE A 31 125.615 8.419 3.349 1.00 0.00 C ATOM 478 CG PHE A 31 124.651 9.260 2.581 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.310 10.526 3.024 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.069 8.777 1.429 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.409 11.293 2.328 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.170 9.536 0.735 1.00 0.00 C ATOM 483 CZ PHE A 31 122.838 10.800 1.183 1.00 0.00 C ATOM 0 H PHE A 31 126.698 6.668 4.744 1.00 0.00 H new ATOM 0 HA PHE A 31 125.010 8.906 5.339 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.549 8.968 3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 31 125.845 7.523 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 31 124.757 10.915 3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.326 7.791 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.151 12.281 2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.718 9.147 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.129 11.400 0.632 1.00 0.00 H new ATOM 493 N LEU A 32 123.673 6.102 4.413 1.00 0.00 N ATOM 494 CA LEU A 32 122.440 5.383 4.274 1.00 0.00 C ATOM 495 C LEU A 32 121.671 5.394 5.615 1.00 0.00 C ATOM 496 O LEU A 32 120.444 5.436 5.649 1.00 0.00 O ATOM 497 CB LEU A 32 122.760 3.976 3.831 1.00 0.00 C ATOM 498 CG LEU A 32 121.653 3.195 3.194 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.137 3.897 1.950 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.170 1.852 2.832 1.00 0.00 C ATOM 0 H LEU A 32 124.509 5.521 4.342 1.00 0.00 H new ATOM 0 HA LEU A 32 121.801 5.854 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.590 4.023 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.111 3.419 4.700 1.00 0.00 H new ATOM 0 HG LEU A 32 120.826 3.108 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.334 3.308 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 32 120.759 4.883 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 32 121.948 4.004 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.375 1.270 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.000 1.958 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.516 1.341 3.731 1.00 0.00 H new ATOM 512 N LYS A 33 122.415 5.390 6.708 1.00 0.00 N ATOM 513 CA LYS A 33 121.858 5.476 8.051 1.00 0.00 C ATOM 514 C LYS A 33 121.281 6.858 8.333 1.00 0.00 C ATOM 515 O LYS A 33 120.240 6.972 8.978 1.00 0.00 O ATOM 516 CB LYS A 33 122.904 5.081 9.104 1.00 0.00 C ATOM 517 CG LYS A 33 123.283 3.623 9.001 1.00 0.00 C ATOM 518 CD LYS A 33 124.408 3.217 9.918 1.00 0.00 C ATOM 519 CE LYS A 33 124.692 1.736 9.731 1.00 0.00 C ATOM 520 NZ LYS A 33 125.836 1.264 10.520 1.00 0.00 N ATOM 0 H LYS A 33 123.433 5.326 6.690 1.00 0.00 H new ATOM 0 HA LYS A 33 121.034 4.765 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.794 5.697 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.511 5.285 10.100 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.407 3.014 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.569 3.404 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.301 3.802 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.140 3.421 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 33 123.806 1.165 10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 33 124.880 1.539 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 125.979 0.248 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 126.691 1.786 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 125.650 1.423 11.531 1.00 0.00 H new ATOM 534 N THR A 34 121.910 7.905 7.810 1.00 0.00 N ATOM 535 CA THR A 34 121.395 9.244 8.034 1.00 0.00 C ATOM 536 C THR A 34 120.089 9.465 7.236 1.00 0.00 C ATOM 537 O THR A 34 119.242 10.280 7.629 1.00 0.00 O ATOM 538 CB THR A 34 122.461 10.390 7.795 1.00 0.00 C ATOM 539 OG1 THR A 34 121.935 11.666 8.172 1.00 0.00 O ATOM 540 CG2 THR A 34 122.900 10.474 6.359 1.00 0.00 C ATOM 0 H THR A 34 122.756 7.853 7.242 1.00 0.00 H new ATOM 0 HA THR A 34 121.158 9.316 9.095 1.00 0.00 H new ATOM 0 HB THR A 34 123.320 10.133 8.415 1.00 0.00 H new ATOM 0 HG1 THR A 34 122.612 12.358 8.017 1.00 0.00 H new ATOM 0 HG21 THR A 34 123.631 11.275 6.248 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.351 9.528 6.060 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.037 10.680 5.726 1.00 0.00 H new ATOM 548 N GLU A 35 119.898 8.702 6.139 1.00 0.00 N ATOM 549 CA GLU A 35 118.637 8.778 5.400 1.00 0.00 C ATOM 550 C GLU A 35 117.651 7.690 5.847 1.00 0.00 C ATOM 551 O GLU A 35 116.523 7.611 5.335 1.00 0.00 O ATOM 552 CB GLU A 35 118.807 8.782 3.867 1.00 0.00 C ATOM 553 CG GLU A 35 119.408 7.519 3.263 1.00 0.00 C ATOM 554 CD GLU A 35 119.124 7.409 1.773 1.00 0.00 C ATOM 555 OE1 GLU A 35 118.067 6.838 1.405 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.914 7.895 0.947 1.00 0.00 O ATOM 0 H GLU A 35 120.583 8.048 5.760 1.00 0.00 H new ATOM 0 HA GLU A 35 118.215 9.750 5.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.831 8.950 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.436 9.628 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.485 7.516 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.004 6.645 3.774 1.00 0.00 H new ATOM 563 N PHE A 36 118.095 6.872 6.809 1.00 0.00 N ATOM 564 CA PHE A 36 117.294 5.814 7.452 1.00 0.00 C ATOM 565 C PHE A 36 116.992 4.658 6.467 1.00 0.00 C ATOM 566 O PHE A 36 116.022 3.913 6.621 1.00 0.00 O ATOM 567 CB PHE A 36 115.989 6.422 8.017 1.00 0.00 C ATOM 568 CG PHE A 36 115.515 5.816 9.299 1.00 0.00 C ATOM 569 CD1 PHE A 36 114.675 4.715 9.316 1.00 0.00 C ATOM 570 CD2 PHE A 36 115.913 6.367 10.496 1.00 0.00 C ATOM 571 CE1 PHE A 36 114.244 4.175 10.511 1.00 0.00 C ATOM 572 CE2 PHE A 36 115.489 5.837 11.698 1.00 0.00 C ATOM 573 CZ PHE A 36 114.653 4.737 11.707 1.00 0.00 C ATOM 0 H PHE A 36 119.046 6.926 7.174 1.00 0.00 H new ATOM 0 HA PHE A 36 117.871 5.390 8.274 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.140 7.490 8.171 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.203 6.316 7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 36 114.354 4.274 8.384 1.00 0.00 H new ATOM 0 HD2 PHE A 36 116.567 7.227 10.495 1.00 0.00 H new ATOM 0 HE1 PHE A 36 113.589 3.316 10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 36 115.810 6.281 12.629 1.00 0.00 H new ATOM 0 HZ PHE A 36 114.320 4.317 12.645 1.00 0.00 H new ATOM 583 N SER A 37 117.858 4.478 5.500 1.00 0.00 N ATOM 584 CA SER A 37 117.660 3.464 4.486 1.00 0.00 C ATOM 585 C SER A 37 118.721 2.364 4.591 1.00 0.00 C ATOM 586 O SER A 37 118.895 1.570 3.668 1.00 0.00 O ATOM 587 CB SER A 37 117.715 4.118 3.111 1.00 0.00 C ATOM 588 OG SER A 37 116.781 5.192 3.023 1.00 0.00 O ATOM 0 H SER A 37 118.713 5.023 5.391 1.00 0.00 H new ATOM 0 HA SER A 37 116.685 3.000 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.722 4.489 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.497 3.377 2.342 1.00 0.00 H new ATOM 0 HG SER A 37 117.228 5.986 2.662 1.00 0.00 H new ATOM 594 N GLU A 38 119.382 2.274 5.764 1.00 0.00 N ATOM 595 CA GLU A 38 120.481 1.293 6.013 1.00 0.00 C ATOM 596 C GLU A 38 119.988 -0.159 5.876 1.00 0.00 C ATOM 597 O GLU A 38 120.777 -1.105 5.821 1.00 0.00 O ATOM 598 CB GLU A 38 121.065 1.498 7.403 1.00 0.00 C ATOM 599 CG GLU A 38 120.079 1.237 8.531 1.00 0.00 C ATOM 600 CD GLU A 38 120.670 1.495 9.883 1.00 0.00 C ATOM 601 OE1 GLU A 38 121.389 0.626 10.412 1.00 0.00 O ATOM 602 OE2 GLU A 38 120.429 2.570 10.442 1.00 0.00 O ATOM 0 H GLU A 38 119.178 2.871 6.566 1.00 0.00 H new ATOM 0 HA GLU A 38 121.250 1.467 5.260 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.925 0.839 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.433 2.521 7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 38 119.202 1.869 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.738 0.203 8.479 1.00 0.00 H new ATOM 609 N GLU A 39 118.679 -0.284 5.819 1.00 0.00 N ATOM 610 CA GLU A 39 117.956 -1.521 5.665 1.00 0.00 C ATOM 611 C GLU A 39 118.525 -2.320 4.472 1.00 0.00 C ATOM 612 O GLU A 39 118.715 -3.518 4.558 1.00 0.00 O ATOM 613 CB GLU A 39 116.492 -1.177 5.337 1.00 0.00 C ATOM 614 CG GLU A 39 115.852 -0.091 6.213 1.00 0.00 C ATOM 615 CD GLU A 39 115.505 -0.531 7.614 1.00 0.00 C ATOM 616 OE1 GLU A 39 116.372 -0.487 8.517 1.00 0.00 O ATOM 617 OE2 GLU A 39 114.332 -0.896 7.850 1.00 0.00 O ATOM 0 H GLU A 39 118.059 0.523 5.883 1.00 0.00 H new ATOM 0 HA GLU A 39 118.040 -2.108 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.437 -0.858 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 39 115.896 -2.086 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.534 0.757 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 39 114.945 0.263 5.723 1.00 0.00 H new ATOM 624 N ASN A 40 118.841 -1.615 3.386 1.00 0.00 N ATOM 625 CA ASN A 40 119.241 -2.261 2.133 1.00 0.00 C ATOM 626 C ASN A 40 120.757 -2.633 2.050 1.00 0.00 C ATOM 627 O ASN A 40 121.140 -3.674 1.442 1.00 0.00 O ATOM 628 CB ASN A 40 118.732 -1.449 0.913 1.00 0.00 C ATOM 629 CG ASN A 40 119.334 -0.066 0.721 1.00 0.00 C ATOM 630 OD1 ASN A 40 120.472 0.172 1.035 1.00 0.00 O ATOM 631 ND2 ASN A 40 118.551 0.848 0.193 1.00 0.00 N ATOM 0 H ASN A 40 118.828 -0.596 3.347 1.00 0.00 H new ATOM 0 HA ASN A 40 118.748 -3.233 2.112 1.00 0.00 H new ATOM 0 HB2 ASN A 40 118.922 -2.032 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 40 117.651 -1.341 1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 40 118.903 1.793 0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.592 0.613 -0.062 1.00 0.00 H new ATOM 638 N ILE A 41 121.599 -1.839 2.680 1.00 0.00 N ATOM 639 CA ILE A 41 123.049 -2.115 2.693 1.00 0.00 C ATOM 640 C ILE A 41 123.288 -3.413 3.502 1.00 0.00 C ATOM 641 O ILE A 41 123.949 -4.360 3.045 1.00 0.00 O ATOM 642 CB ILE A 41 123.877 -0.891 3.292 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.369 -0.956 2.978 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.702 -0.730 4.780 1.00 0.00 C ATOM 645 CD1 ILE A 41 125.702 -0.764 1.540 1.00 0.00 C ATOM 0 H ILE A 41 121.322 -1.000 3.190 1.00 0.00 H new ATOM 0 HA ILE A 41 123.404 -2.248 1.671 1.00 0.00 H new ATOM 0 HB ILE A 41 123.454 -0.021 2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.885 -0.195 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.755 -1.923 3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.291 0.120 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.650 -0.558 5.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.039 -1.635 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 41 126.782 -0.825 1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.218 -1.540 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 41 125.350 0.214 1.213 1.00 0.00 H new ATOM 657 N GLU A 42 122.636 -3.482 4.645 1.00 0.00 N ATOM 658 CA GLU A 42 122.718 -4.598 5.526 1.00 0.00 C ATOM 659 C GLU A 42 121.868 -5.753 5.012 1.00 0.00 C ATOM 660 O GLU A 42 122.066 -6.908 5.415 1.00 0.00 O ATOM 661 CB GLU A 42 122.313 -4.177 6.927 1.00 0.00 C ATOM 662 CG GLU A 42 123.459 -3.726 7.850 1.00 0.00 C ATOM 663 CD GLU A 42 124.388 -2.654 7.366 1.00 0.00 C ATOM 664 OE1 GLU A 42 125.344 -2.954 6.670 1.00 0.00 O ATOM 665 OE2 GLU A 42 124.227 -1.486 7.787 1.00 0.00 O ATOM 0 H GLU A 42 122.024 -2.739 4.982 1.00 0.00 H new ATOM 0 HA GLU A 42 123.748 -4.952 5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.594 -3.362 6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.797 -5.012 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 42 123.016 -3.383 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 42 124.060 -4.604 8.085 1.00 0.00 H new ATOM 672 N PHE A 43 120.918 -5.427 4.133 1.00 0.00 N ATOM 673 CA PHE A 43 120.099 -6.410 3.429 1.00 0.00 C ATOM 674 C PHE A 43 120.991 -7.403 2.732 1.00 0.00 C ATOM 675 O PHE A 43 120.951 -8.606 3.028 1.00 0.00 O ATOM 676 CB PHE A 43 119.197 -5.703 2.398 1.00 0.00 C ATOM 677 CG PHE A 43 118.486 -6.583 1.409 1.00 0.00 C ATOM 678 CD1 PHE A 43 119.092 -6.949 0.209 1.00 0.00 C ATOM 679 CD2 PHE A 43 117.223 -7.012 1.657 1.00 0.00 C ATOM 680 CE1 PHE A 43 118.438 -7.735 -0.700 1.00 0.00 C ATOM 681 CE2 PHE A 43 116.558 -7.790 0.754 1.00 0.00 C ATOM 682 CZ PHE A 43 117.166 -8.157 -0.430 1.00 0.00 C ATOM 0 H PHE A 43 120.695 -4.462 3.889 1.00 0.00 H new ATOM 0 HA PHE A 43 119.470 -6.933 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.448 -5.126 2.940 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.808 -4.991 1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 43 120.093 -6.607 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.738 -6.734 2.581 1.00 0.00 H new ATOM 0 HE1 PHE A 43 118.922 -8.020 -1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 43 115.552 -8.120 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.638 -8.776 -1.141 1.00 0.00 H new ATOM 692 N TRP A 44 121.825 -6.929 1.818 1.00 0.00 N ATOM 693 CA TRP A 44 122.663 -7.888 1.148 1.00 0.00 C ATOM 694 C TRP A 44 123.857 -8.333 1.948 1.00 0.00 C ATOM 695 O TRP A 44 124.462 -9.352 1.640 1.00 0.00 O ATOM 696 CB TRP A 44 122.943 -7.643 -0.336 1.00 0.00 C ATOM 697 CG TRP A 44 123.431 -6.308 -0.735 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.834 -5.485 -1.633 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.606 -5.640 -0.286 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.574 -4.362 -1.797 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.660 -4.420 -0.953 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.620 -5.956 0.623 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.676 -3.520 -0.741 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.629 -5.057 0.830 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.652 -3.853 0.155 1.00 0.00 C ATOM 0 H TRP A 44 121.932 -5.953 1.542 1.00 0.00 H new ATOM 0 HA TRP A 44 122.014 -8.762 1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.677 -8.379 -0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 44 122.024 -7.842 -0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.905 -5.694 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.361 -3.599 -2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.606 -6.896 1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.702 -2.577 -1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.417 -5.292 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.459 -3.159 0.339 1.00 0.00 H new ATOM 716 N ILE A 45 124.187 -7.599 2.998 1.00 0.00 N ATOM 717 CA ILE A 45 125.192 -8.073 3.930 1.00 0.00 C ATOM 718 C ILE A 45 124.697 -9.359 4.599 1.00 0.00 C ATOM 719 O ILE A 45 125.465 -10.323 4.783 1.00 0.00 O ATOM 720 CB ILE A 45 125.605 -6.982 4.955 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.529 -5.980 4.253 1.00 0.00 C ATOM 722 CG2 ILE A 45 126.261 -7.574 6.205 1.00 0.00 C ATOM 723 CD1 ILE A 45 127.046 -4.874 5.125 1.00 0.00 C ATOM 0 H ILE A 45 123.782 -6.690 3.223 1.00 0.00 H new ATOM 0 HA ILE A 45 126.103 -8.304 3.378 1.00 0.00 H new ATOM 0 HB ILE A 45 124.709 -6.472 5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.379 -6.522 3.838 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.991 -5.539 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 45 126.531 -6.770 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 45 125.562 -8.250 6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 45 127.158 -8.124 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.689 -4.219 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 45 126.208 -4.300 5.521 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.617 -5.298 5.951 1.00 0.00 H new ATOM 735 N ALA A 46 123.395 -9.395 4.883 1.00 0.00 N ATOM 736 CA ALA A 46 122.754 -10.590 5.405 1.00 0.00 C ATOM 737 C ALA A 46 122.782 -11.668 4.340 1.00 0.00 C ATOM 738 O ALA A 46 122.930 -12.836 4.641 1.00 0.00 O ATOM 739 CB ALA A 46 121.304 -10.317 5.778 1.00 0.00 C ATOM 0 H ALA A 46 122.765 -8.603 4.757 1.00 0.00 H new ATOM 0 HA ALA A 46 123.293 -10.907 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.850 -11.229 6.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 121.265 -9.540 6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.757 -9.986 4.895 1.00 0.00 H new ATOM 745 N CYS A 47 122.652 -11.258 3.100 1.00 0.00 N ATOM 746 CA CYS A 47 122.641 -12.175 1.983 1.00 0.00 C ATOM 747 C CYS A 47 124.035 -12.796 1.732 1.00 0.00 C ATOM 748 O CYS A 47 124.137 -13.949 1.326 1.00 0.00 O ATOM 749 CB CYS A 47 122.089 -11.488 0.753 1.00 0.00 C ATOM 750 SG CYS A 47 120.443 -10.778 0.997 1.00 0.00 S ATOM 0 H CYS A 47 122.551 -10.278 2.836 1.00 0.00 H new ATOM 0 HA CYS A 47 121.982 -13.008 2.228 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.775 -10.697 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.048 -12.206 -0.066 1.00 0.00 H new ATOM 0 HG CYS A 47 120.477 -9.932 1.984 1.00 0.00 H new ATOM 756 N GLU A 48 125.108 -12.054 2.005 1.00 0.00 N ATOM 757 CA GLU A 48 126.448 -12.644 1.918 1.00 0.00 C ATOM 758 C GLU A 48 126.635 -13.602 3.100 1.00 0.00 C ATOM 759 O GLU A 48 127.321 -14.624 3.001 1.00 0.00 O ATOM 760 CB GLU A 48 127.558 -11.601 1.951 1.00 0.00 C ATOM 761 CG GLU A 48 127.516 -10.545 0.865 1.00 0.00 C ATOM 762 CD GLU A 48 127.838 -11.107 -0.489 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.993 -11.490 -0.733 1.00 0.00 O ATOM 764 OE2 GLU A 48 126.957 -11.177 -1.339 1.00 0.00 O ATOM 0 H GLU A 48 125.082 -11.072 2.280 1.00 0.00 H new ATOM 0 HA GLU A 48 126.519 -13.162 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.528 -11.099 2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.516 -12.118 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.525 -10.091 0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 48 128.225 -9.752 1.105 1.00 0.00 H new ATOM 771 N ASP A 49 126.001 -13.258 4.220 1.00 0.00 N ATOM 772 CA ASP A 49 125.999 -14.103 5.428 1.00 0.00 C ATOM 773 C ASP A 49 125.178 -15.363 5.162 1.00 0.00 C ATOM 774 O ASP A 49 125.389 -16.415 5.758 1.00 0.00 O ATOM 775 CB ASP A 49 125.408 -13.330 6.614 1.00 0.00 C ATOM 776 CG ASP A 49 125.297 -14.169 7.861 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.319 -14.404 8.511 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.170 -14.602 8.216 1.00 0.00 O ATOM 0 H ASP A 49 125.474 -12.391 4.322 1.00 0.00 H new ATOM 0 HA ASP A 49 127.023 -14.383 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.031 -12.460 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.420 -12.958 6.343 1.00 0.00 H new ATOM 783 N PHE A 50 124.259 -15.232 4.248 1.00 0.00 N ATOM 784 CA PHE A 50 123.444 -16.316 3.779 1.00 0.00 C ATOM 785 C PHE A 50 124.300 -17.272 2.943 1.00 0.00 C ATOM 786 O PHE A 50 124.253 -18.483 3.136 1.00 0.00 O ATOM 787 CB PHE A 50 122.273 -15.748 2.966 1.00 0.00 C ATOM 788 CG PHE A 50 121.448 -16.769 2.292 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.636 -17.588 3.024 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.503 -16.924 0.921 1.00 0.00 C ATOM 791 CE1 PHE A 50 119.885 -18.549 2.413 1.00 0.00 C ATOM 792 CE2 PHE A 50 120.753 -17.885 0.302 1.00 0.00 C ATOM 793 CZ PHE A 50 119.942 -18.701 1.052 1.00 0.00 C ATOM 0 H PHE A 50 124.050 -14.342 3.796 1.00 0.00 H new ATOM 0 HA PHE A 50 123.036 -16.878 4.619 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.636 -15.163 3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.666 -15.062 2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.588 -17.474 4.097 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.143 -16.282 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.246 -19.190 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.798 -18.002 -0.771 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.349 -19.463 0.569 1.00 0.00 H new ATOM 803 N LYS A 51 125.122 -16.701 2.066 1.00 0.00 N ATOM 804 CA LYS A 51 126.055 -17.462 1.214 1.00 0.00 C ATOM 805 C LYS A 51 127.120 -18.149 2.067 1.00 0.00 C ATOM 806 O LYS A 51 127.779 -19.101 1.629 1.00 0.00 O ATOM 807 CB LYS A 51 126.766 -16.516 0.248 1.00 0.00 C ATOM 808 CG LYS A 51 125.857 -15.755 -0.686 1.00 0.00 C ATOM 809 CD LYS A 51 126.647 -14.739 -1.481 1.00 0.00 C ATOM 810 CE LYS A 51 125.762 -13.980 -2.442 1.00 0.00 C ATOM 811 NZ LYS A 51 126.520 -12.978 -3.203 1.00 0.00 N ATOM 0 H LYS A 51 125.166 -15.693 1.920 1.00 0.00 H new ATOM 0 HA LYS A 51 125.479 -18.208 0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 51 127.348 -15.800 0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 51 127.473 -17.093 -0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 51 125.359 -16.448 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 51 125.077 -15.252 -0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.131 -14.039 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 51 127.438 -15.244 -2.035 1.00 0.00 H new ATOM 0 HE2 LYS A 51 125.289 -14.680 -3.131 1.00 0.00 H new ATOM 0 HE3 LYS A 51 124.962 -13.488 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 126.052 -12.809 -4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 126.559 -12.089 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 127.486 -13.325 -3.368 1.00 0.00 H new ATOM 825 N LYS A 52 127.304 -17.623 3.267 1.00 0.00 N ATOM 826 CA LYS A 52 128.270 -18.128 4.236 1.00 0.00 C ATOM 827 C LYS A 52 127.888 -19.539 4.703 1.00 0.00 C ATOM 828 O LYS A 52 128.752 -20.327 5.101 1.00 0.00 O ATOM 829 CB LYS A 52 128.323 -17.174 5.445 1.00 0.00 C ATOM 830 CG LYS A 52 129.434 -17.459 6.434 1.00 0.00 C ATOM 831 CD LYS A 52 129.418 -16.508 7.637 1.00 0.00 C ATOM 832 CE LYS A 52 128.515 -16.978 8.792 1.00 0.00 C ATOM 833 NZ LYS A 52 127.062 -16.919 8.515 1.00 0.00 N ATOM 0 H LYS A 52 126.777 -16.817 3.604 1.00 0.00 H new ATOM 0 HA LYS A 52 129.250 -18.179 3.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 128.435 -16.153 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 52 127.369 -17.222 5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 52 129.345 -18.486 6.788 1.00 0.00 H new ATOM 0 HG3 LYS A 52 130.395 -17.379 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.436 -16.391 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.085 -15.524 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 52 128.780 -18.005 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 52 128.727 -16.368 9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 126.535 -16.988 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 126.834 -16.019 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 126.795 -17.709 7.894 1.00 0.00 H new ATOM 847 N SER A 53 126.612 -19.848 4.621 1.00 0.00 N ATOM 848 CA SER A 53 126.080 -21.113 5.075 1.00 0.00 C ATOM 849 C SER A 53 126.689 -22.282 4.298 1.00 0.00 C ATOM 850 O SER A 53 126.752 -22.268 3.066 1.00 0.00 O ATOM 851 CB SER A 53 124.575 -21.090 4.925 1.00 0.00 C ATOM 852 OG SER A 53 124.051 -19.894 5.494 1.00 0.00 O ATOM 0 H SER A 53 125.908 -19.221 4.233 1.00 0.00 H new ATOM 0 HA SER A 53 126.341 -21.257 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.305 -21.151 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 53 124.138 -21.959 5.417 1.00 0.00 H new ATOM 0 HG SER A 53 123.991 -19.202 4.803 1.00 0.00 H new ATOM 858 N LYS A 54 127.117 -23.282 5.020 1.00 0.00 N ATOM 859 CA LYS A 54 127.789 -24.425 4.448 1.00 0.00 C ATOM 860 C LYS A 54 126.937 -25.679 4.545 1.00 0.00 C ATOM 861 O LYS A 54 127.423 -26.798 4.362 1.00 0.00 O ATOM 862 CB LYS A 54 129.198 -24.604 5.085 1.00 0.00 C ATOM 863 CG LYS A 54 129.281 -24.585 6.630 1.00 0.00 C ATOM 864 CD LYS A 54 128.657 -25.803 7.346 1.00 0.00 C ATOM 865 CE LYS A 54 129.473 -27.111 7.212 1.00 0.00 C ATOM 866 NZ LYS A 54 129.517 -27.657 5.836 1.00 0.00 N ATOM 0 H LYS A 54 127.009 -23.330 6.033 1.00 0.00 H new ATOM 0 HA LYS A 54 127.937 -24.243 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 54 129.609 -25.551 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 129.845 -23.815 4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.330 -24.514 6.919 1.00 0.00 H new ATOM 0 HG3 LYS A 54 128.789 -23.682 6.992 1.00 0.00 H new ATOM 0 HD2 LYS A 54 128.542 -25.568 8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 54 127.657 -25.971 6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.492 -26.927 7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 54 129.046 -27.863 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 129.448 -28.694 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 128.721 -27.276 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 130.413 -27.385 5.383 1.00 0.00 H new ATOM 880 N GLY A 55 125.674 -25.492 4.802 1.00 0.00 N ATOM 881 CA GLY A 55 124.779 -26.598 4.909 1.00 0.00 C ATOM 882 C GLY A 55 123.453 -26.243 4.319 1.00 0.00 C ATOM 883 O GLY A 55 122.950 -25.148 4.581 1.00 0.00 O ATOM 0 H GLY A 55 125.244 -24.578 4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.195 -27.464 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 55 124.657 -26.878 5.955 1.00 0.00 H new ATOM 887 N PRO A 56 122.854 -27.130 3.512 1.00 0.00 N ATOM 888 CA PRO A 56 121.579 -26.862 2.851 1.00 0.00 C ATOM 889 C PRO A 56 120.420 -26.665 3.835 1.00 0.00 C ATOM 890 O PRO A 56 119.486 -25.923 3.547 1.00 0.00 O ATOM 891 CB PRO A 56 121.356 -28.083 1.958 1.00 0.00 C ATOM 892 CG PRO A 56 122.203 -29.153 2.547 1.00 0.00 C ATOM 893 CD PRO A 56 123.384 -28.459 3.153 1.00 0.00 C ATOM 0 HA PRO A 56 121.611 -25.927 2.292 1.00 0.00 H new ATOM 0 HB2 PRO A 56 120.306 -28.375 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.643 -27.875 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 56 121.652 -29.716 3.301 1.00 0.00 H new ATOM 0 HG3 PRO A 56 122.518 -29.865 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 56 123.758 -28.992 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 56 124.211 -28.384 2.447 1.00 0.00 H new ATOM 901 N GLN A 57 120.495 -27.300 5.007 1.00 0.00 N ATOM 902 CA GLN A 57 119.455 -27.129 6.031 1.00 0.00 C ATOM 903 C GLN A 57 119.494 -25.701 6.533 1.00 0.00 C ATOM 904 O GLN A 57 118.460 -25.027 6.621 1.00 0.00 O ATOM 905 CB GLN A 57 119.652 -28.081 7.213 1.00 0.00 C ATOM 906 CG GLN A 57 119.658 -29.548 6.850 1.00 0.00 C ATOM 907 CD GLN A 57 119.831 -30.450 8.057 1.00 0.00 C ATOM 908 OE1 GLN A 57 119.403 -30.129 9.163 1.00 0.00 O ATOM 909 NE2 GLN A 57 120.487 -31.564 7.865 1.00 0.00 N ATOM 0 H GLN A 57 121.253 -27.930 5.271 1.00 0.00 H new ATOM 0 HA GLN A 57 118.491 -27.358 5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.595 -27.839 7.704 1.00 0.00 H new ATOM 0 HB3 GLN A 57 118.859 -27.904 7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 57 118.724 -29.797 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 57 120.463 -29.739 6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 57 120.829 -31.801 6.934 1.00 0.00 H new ATOM 0 HE22 GLN A 57 120.657 -32.197 8.647 1.00 0.00 H new ATOM 918 N GLN A 58 120.715 -25.238 6.799 1.00 0.00 N ATOM 919 CA GLN A 58 120.982 -23.889 7.271 1.00 0.00 C ATOM 920 C GLN A 58 120.428 -22.864 6.278 1.00 0.00 C ATOM 921 O GLN A 58 119.877 -21.848 6.678 1.00 0.00 O ATOM 922 CB GLN A 58 122.502 -23.709 7.466 1.00 0.00 C ATOM 923 CG GLN A 58 122.950 -22.347 7.993 1.00 0.00 C ATOM 924 CD GLN A 58 122.426 -22.010 9.383 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.223 -20.849 9.708 1.00 0.00 O ATOM 926 NE2 GLN A 58 122.242 -22.991 10.218 1.00 0.00 N ATOM 0 H GLN A 58 121.557 -25.803 6.689 1.00 0.00 H new ATOM 0 HA GLN A 58 120.485 -23.729 8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 58 122.854 -24.477 8.155 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.995 -23.887 6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 58 124.039 -22.318 8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.622 -21.575 7.297 1.00 0.00 H new ATOM 0 HE21 GLN A 58 122.418 -23.951 9.923 1.00 0.00 H new ATOM 0 HE22 GLN A 58 121.922 -22.799 11.167 1.00 0.00 H new ATOM 935 N ILE A 59 120.539 -23.180 4.985 1.00 0.00 N ATOM 936 CA ILE A 59 120.038 -22.324 3.899 1.00 0.00 C ATOM 937 C ILE A 59 118.571 -21.984 4.115 1.00 0.00 C ATOM 938 O ILE A 59 118.187 -20.829 4.047 1.00 0.00 O ATOM 939 CB ILE A 59 120.157 -23.021 2.517 1.00 0.00 C ATOM 940 CG1 ILE A 59 121.591 -23.485 2.239 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.650 -22.120 1.404 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.635 -22.411 2.342 1.00 0.00 C ATOM 0 H ILE A 59 120.980 -24.039 4.658 1.00 0.00 H new ATOM 0 HA ILE A 59 120.649 -21.422 3.910 1.00 0.00 H new ATOM 0 HB ILE A 59 119.526 -23.909 2.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 121.841 -24.283 2.939 1.00 0.00 H new ATOM 0 HG13 ILE A 59 121.631 -23.915 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 59 119.746 -22.634 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.603 -21.876 1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.238 -21.202 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.616 -22.836 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.417 -21.622 1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.631 -21.995 3.350 1.00 0.00 H new ATOM 954 N HIS A 60 117.780 -23.005 4.416 1.00 0.00 N ATOM 955 CA HIS A 60 116.331 -22.856 4.605 1.00 0.00 C ATOM 956 C HIS A 60 116.010 -21.818 5.659 1.00 0.00 C ATOM 957 O HIS A 60 115.347 -20.822 5.382 1.00 0.00 O ATOM 958 CB HIS A 60 115.662 -24.187 4.987 1.00 0.00 C ATOM 959 CG HIS A 60 115.642 -25.221 3.897 1.00 0.00 C ATOM 960 ND1 HIS A 60 116.549 -26.138 3.540 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 114.589 -25.387 3.037 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 116.040 -26.836 2.479 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 114.850 -26.363 2.195 1.00 0.00 N flip ATOM 0 H HIS A 60 118.117 -23.960 4.537 1.00 0.00 H new ATOM 0 HA HIS A 60 115.932 -22.526 3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.180 -24.602 5.852 1.00 0.00 H new ATOM 0 HB3 HIS A 60 114.636 -23.986 5.296 1.00 0.00 H new ATOM 0 HD1 HIS A 60 117.457 -26.289 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 60 113.680 -24.804 3.049 1.00 0.00 H new ATOM 0 HE1 HIS A 60 116.536 -27.643 1.961 1.00 0.00 H new ATOM 972 N LEU A 61 116.533 -22.028 6.841 1.00 0.00 N ATOM 973 CA LEU A 61 116.254 -21.170 7.980 1.00 0.00 C ATOM 974 C LEU A 61 116.881 -19.782 7.827 1.00 0.00 C ATOM 975 O LEU A 61 116.327 -18.779 8.313 1.00 0.00 O ATOM 976 CB LEU A 61 116.685 -21.878 9.262 1.00 0.00 C ATOM 977 CG LEU A 61 118.147 -22.293 9.349 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.951 -21.316 10.183 1.00 0.00 C ATOM 979 CD2 LEU A 61 118.269 -23.716 9.853 1.00 0.00 C ATOM 0 H LEU A 61 117.167 -22.800 7.048 1.00 0.00 H new ATOM 0 HA LEU A 61 115.180 -20.991 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 61 116.466 -21.222 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.069 -22.769 9.383 1.00 0.00 H new ATOM 0 HG LEU A 61 118.571 -22.266 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.990 -21.642 10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.900 -20.325 9.733 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.542 -21.277 11.193 1.00 0.00 H new ATOM 0 HD21 LEU A 61 119.322 -23.994 9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 61 117.822 -23.791 10.844 1.00 0.00 H new ATOM 0 HD23 LEU A 61 117.751 -24.390 9.170 1.00 0.00 H new ATOM 991 N LYS A 62 118.028 -19.730 7.164 1.00 0.00 N ATOM 992 CA LYS A 62 118.698 -18.468 6.843 1.00 0.00 C ATOM 993 C LYS A 62 117.871 -17.657 5.874 1.00 0.00 C ATOM 994 O LYS A 62 117.572 -16.488 6.131 1.00 0.00 O ATOM 995 CB LYS A 62 120.091 -18.708 6.243 1.00 0.00 C ATOM 996 CG LYS A 62 121.200 -18.906 7.251 1.00 0.00 C ATOM 997 CD LYS A 62 121.512 -17.604 7.956 1.00 0.00 C ATOM 998 CE LYS A 62 122.612 -17.767 8.983 1.00 0.00 C ATOM 999 NZ LYS A 62 122.931 -16.488 9.639 1.00 0.00 N ATOM 0 H LYS A 62 118.523 -20.558 6.832 1.00 0.00 H new ATOM 0 HA LYS A 62 118.810 -17.916 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.045 -19.587 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.346 -17.860 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.906 -19.660 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 62 122.093 -19.278 6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.809 -16.856 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.612 -17.231 8.444 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.306 -18.496 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.506 -18.163 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.491 -16.668 10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.478 -15.890 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.049 -16.001 9.897 1.00 0.00 H new ATOM 1013 N ALA A 63 117.478 -18.290 4.781 1.00 0.00 N ATOM 1014 CA ALA A 63 116.710 -17.639 3.744 1.00 0.00 C ATOM 1015 C ALA A 63 115.391 -17.158 4.286 1.00 0.00 C ATOM 1016 O ALA A 63 115.038 -15.998 4.131 1.00 0.00 O ATOM 1017 CB ALA A 63 116.491 -18.570 2.548 1.00 0.00 C ATOM 0 H ALA A 63 117.685 -19.271 4.592 1.00 0.00 H new ATOM 0 HA ALA A 63 117.280 -16.777 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 63 115.910 -18.052 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.456 -18.863 2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 63 115.951 -19.459 2.873 1.00 0.00 H new ATOM 1023 N LYS A 64 114.695 -18.040 4.969 1.00 0.00 N ATOM 1024 CA LYS A 64 113.387 -17.738 5.523 1.00 0.00 C ATOM 1025 C LYS A 64 113.473 -16.563 6.519 1.00 0.00 C ATOM 1026 O LYS A 64 112.564 -15.737 6.594 1.00 0.00 O ATOM 1027 CB LYS A 64 112.807 -18.990 6.182 1.00 0.00 C ATOM 1028 CG LYS A 64 111.324 -18.925 6.504 1.00 0.00 C ATOM 1029 CD LYS A 64 110.485 -18.724 5.246 1.00 0.00 C ATOM 1030 CE LYS A 64 109.001 -18.893 5.532 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.484 -17.912 6.507 1.00 0.00 N ATOM 0 H LYS A 64 115.018 -18.989 5.158 1.00 0.00 H new ATOM 0 HA LYS A 64 112.719 -17.431 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.982 -19.841 5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.355 -19.182 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 64 111.019 -19.845 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.138 -18.108 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 64 110.667 -17.729 4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.793 -19.440 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.444 -18.798 4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.822 -19.900 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.554 -18.223 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 109.144 -17.837 7.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.389 -16.983 6.048 1.00 0.00 H new ATOM 1045 N ALA A 65 114.602 -16.462 7.220 1.00 0.00 N ATOM 1046 CA ALA A 65 114.825 -15.388 8.183 1.00 0.00 C ATOM 1047 C ALA A 65 114.974 -14.054 7.474 1.00 0.00 C ATOM 1048 O ALA A 65 114.296 -13.079 7.815 1.00 0.00 O ATOM 1049 CB ALA A 65 116.055 -15.664 9.025 1.00 0.00 C ATOM 0 H ALA A 65 115.380 -17.116 7.137 1.00 0.00 H new ATOM 0 HA ALA A 65 113.956 -15.343 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 65 116.200 -14.850 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.922 -16.600 9.568 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.929 -15.741 8.378 1.00 0.00 H new ATOM 1055 N ILE A 66 115.839 -14.023 6.476 1.00 0.00 N ATOM 1056 CA ILE A 66 116.104 -12.815 5.696 1.00 0.00 C ATOM 1057 C ILE A 66 114.853 -12.409 4.922 1.00 0.00 C ATOM 1058 O ILE A 66 114.540 -11.228 4.780 1.00 0.00 O ATOM 1059 CB ILE A 66 117.304 -13.037 4.740 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.551 -13.379 5.571 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.538 -11.830 3.823 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.804 -13.605 4.767 1.00 0.00 C ATOM 0 H ILE A 66 116.382 -14.834 6.178 1.00 0.00 H new ATOM 0 HA ILE A 66 116.365 -12.005 6.376 1.00 0.00 H new ATOM 0 HB ILE A 66 117.080 -13.874 4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.732 -12.570 6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.345 -14.275 6.157 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.388 -12.028 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.649 -11.655 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.744 -10.947 4.429 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.630 -13.840 5.439 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.649 -14.435 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 66 120.041 -12.704 4.202 1.00 0.00 H new ATOM 1074 N TYR A 67 114.138 -13.401 4.467 1.00 0.00 N ATOM 1075 CA TYR A 67 112.876 -13.228 3.794 1.00 0.00 C ATOM 1076 C TYR A 67 111.904 -12.458 4.679 1.00 0.00 C ATOM 1077 O TYR A 67 111.472 -11.362 4.328 1.00 0.00 O ATOM 1078 CB TYR A 67 112.316 -14.601 3.476 1.00 0.00 C ATOM 1079 CG TYR A 67 110.952 -14.608 2.871 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.745 -14.121 1.605 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.874 -15.119 3.570 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.509 -14.134 1.038 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.623 -15.145 3.017 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.433 -14.656 1.755 1.00 0.00 C ATOM 1085 OH TYR A 67 107.171 -14.687 1.207 1.00 0.00 O ATOM 0 H TYR A 67 114.422 -14.377 4.555 1.00 0.00 H new ATOM 0 HA TYR A 67 113.020 -12.658 2.876 1.00 0.00 H new ATOM 0 HB2 TYR A 67 113.001 -15.106 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.291 -15.187 4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.579 -13.720 1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.022 -15.504 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.362 -13.744 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.791 -15.549 3.574 1.00 0.00 H new ATOM 0 HH TYR A 67 106.546 -15.085 1.848 1.00 0.00 H new ATOM 1095 N GLU A 68 111.637 -13.004 5.858 1.00 0.00 N ATOM 1096 CA GLU A 68 110.680 -12.427 6.791 1.00 0.00 C ATOM 1097 C GLU A 68 111.133 -11.086 7.352 1.00 0.00 C ATOM 1098 O GLU A 68 110.313 -10.296 7.805 1.00 0.00 O ATOM 1099 CB GLU A 68 110.375 -13.411 7.919 1.00 0.00 C ATOM 1100 CG GLU A 68 109.643 -14.656 7.450 1.00 0.00 C ATOM 1101 CD GLU A 68 109.453 -15.683 8.536 1.00 0.00 C ATOM 1102 OE1 GLU A 68 108.613 -15.484 9.433 1.00 0.00 O ATOM 1103 OE2 GLU A 68 110.097 -16.740 8.482 1.00 0.00 O ATOM 0 H GLU A 68 112.078 -13.860 6.194 1.00 0.00 H new ATOM 0 HA GLU A 68 109.767 -12.234 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 68 111.309 -13.706 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.774 -12.909 8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.668 -14.369 7.057 1.00 0.00 H new ATOM 0 HG3 GLU A 68 110.198 -15.107 6.627 1.00 0.00 H new ATOM 1110 N LYS A 69 112.409 -10.826 7.292 1.00 0.00 N ATOM 1111 CA LYS A 69 112.953 -9.609 7.836 1.00 0.00 C ATOM 1112 C LYS A 69 113.062 -8.508 6.769 1.00 0.00 C ATOM 1113 O LYS A 69 113.040 -7.332 7.101 1.00 0.00 O ATOM 1114 CB LYS A 69 114.332 -9.896 8.456 1.00 0.00 C ATOM 1115 CG LYS A 69 114.994 -8.717 9.156 1.00 0.00 C ATOM 1116 CD LYS A 69 116.351 -9.107 9.713 1.00 0.00 C ATOM 1117 CE LYS A 69 117.037 -7.932 10.390 1.00 0.00 C ATOM 1118 NZ LYS A 69 118.368 -8.299 10.905 1.00 0.00 N ATOM 0 H LYS A 69 113.099 -11.446 6.868 1.00 0.00 H new ATOM 0 HA LYS A 69 112.274 -9.245 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 69 114.226 -10.709 9.174 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.998 -10.250 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 69 115.109 -7.891 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 69 114.354 -8.363 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 69 116.231 -9.920 10.429 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.982 -9.482 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 69 117.135 -7.110 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 69 116.416 -7.572 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 118.804 -7.472 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 118.272 -9.066 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.969 -8.619 10.118 1.00 0.00 H new ATOM 1132 N PHE A 70 113.093 -8.880 5.497 1.00 0.00 N ATOM 1133 CA PHE A 70 113.402 -7.914 4.445 1.00 0.00 C ATOM 1134 C PHE A 70 112.537 -8.109 3.216 1.00 0.00 C ATOM 1135 O PHE A 70 111.861 -7.194 2.772 1.00 0.00 O ATOM 1136 CB PHE A 70 114.873 -8.031 3.997 1.00 0.00 C ATOM 1137 CG PHE A 70 115.932 -7.659 5.003 1.00 0.00 C ATOM 1138 CD1 PHE A 70 116.159 -6.333 5.332 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.719 -8.633 5.591 1.00 0.00 C ATOM 1140 CE1 PHE A 70 117.147 -5.988 6.234 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.711 -8.294 6.488 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.925 -6.969 6.811 1.00 0.00 C ATOM 0 H PHE A 70 112.911 -9.828 5.169 1.00 0.00 H new ATOM 0 HA PHE A 70 113.207 -6.933 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 70 115.050 -9.060 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 70 115.009 -7.403 3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 70 115.557 -5.560 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.555 -9.672 5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 70 117.310 -4.951 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 70 118.320 -9.065 6.937 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.700 -6.702 7.514 1.00 0.00 H new ATOM 1152 N ILE A 71 112.554 -9.327 2.684 1.00 0.00 N ATOM 1153 CA ILE A 71 111.894 -9.659 1.407 1.00 0.00 C ATOM 1154 C ILE A 71 110.364 -9.566 1.514 1.00 0.00 C ATOM 1155 O ILE A 71 109.642 -9.596 0.509 1.00 0.00 O ATOM 1156 CB ILE A 71 112.365 -11.069 0.887 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.878 -11.089 0.721 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.692 -11.494 -0.428 1.00 0.00 C ATOM 1159 CD1 ILE A 71 114.388 -10.087 -0.284 1.00 0.00 C ATOM 0 H ILE A 71 113.025 -10.120 3.120 1.00 0.00 H new ATOM 0 HA ILE A 71 112.198 -8.916 0.670 1.00 0.00 H new ATOM 0 HB ILE A 71 112.058 -11.791 1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.344 -10.892 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 71 114.188 -12.088 0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 71 112.064 -12.474 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.613 -11.543 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.922 -10.766 -1.206 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.474 -10.158 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.951 -10.296 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 71 114.109 -9.082 0.031 1.00 0.00 H new ATOM 1171 N GLN A 72 109.882 -9.438 2.722 1.00 0.00 N ATOM 1172 CA GLN A 72 108.466 -9.230 2.940 1.00 0.00 C ATOM 1173 C GLN A 72 108.040 -7.888 2.430 1.00 0.00 C ATOM 1174 O GLN A 72 108.854 -7.032 2.080 1.00 0.00 O ATOM 1175 CB GLN A 72 108.116 -9.296 4.413 1.00 0.00 C ATOM 1176 CG GLN A 72 108.359 -10.611 5.017 1.00 0.00 C ATOM 1177 CD GLN A 72 107.408 -11.707 4.590 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.899 -11.719 3.480 1.00 0.00 O ATOM 1179 NE2 GLN A 72 107.139 -12.622 5.480 1.00 0.00 N ATOM 0 H GLN A 72 110.444 -9.473 3.572 1.00 0.00 H new ATOM 0 HA GLN A 72 107.948 -10.024 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.697 -8.546 4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 72 107.065 -9.036 4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 72 109.376 -10.921 4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 72 108.306 -10.509 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 72 107.580 -12.585 6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 72 106.487 -13.374 5.257 1.00 0.00 H new ATOM 1188 N THR A 73 106.797 -7.703 2.415 1.00 0.00 N ATOM 1189 CA THR A 73 106.247 -6.436 2.039 1.00 0.00 C ATOM 1190 C THR A 73 106.083 -5.621 3.319 1.00 0.00 C ATOM 1191 O THR A 73 106.537 -4.481 3.422 1.00 0.00 O ATOM 1192 CB THR A 73 104.908 -6.584 1.282 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.106 -7.399 0.102 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.385 -5.224 0.862 1.00 0.00 C ATOM 0 H THR A 73 106.107 -8.413 2.660 1.00 0.00 H new ATOM 0 HA THR A 73 106.917 -5.929 1.345 1.00 0.00 H new ATOM 0 HB THR A 73 104.183 -7.057 1.945 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.256 -7.494 -0.377 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.441 -5.345 0.330 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.226 -4.606 1.746 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.111 -4.741 0.208 1.00 0.00 H new ATOM 1202 N ASP A 74 105.481 -6.233 4.302 1.00 0.00 N ATOM 1203 CA ASP A 74 105.386 -5.648 5.613 1.00 0.00 C ATOM 1204 C ASP A 74 106.388 -6.370 6.482 1.00 0.00 C ATOM 1205 O ASP A 74 106.081 -7.384 7.118 1.00 0.00 O ATOM 1206 CB ASP A 74 103.972 -5.764 6.207 1.00 0.00 C ATOM 1207 CG ASP A 74 103.817 -5.028 7.534 1.00 0.00 C ATOM 1208 OD1 ASP A 74 104.362 -5.474 8.559 1.00 0.00 O ATOM 1209 OD2 ASP A 74 103.152 -3.980 7.569 1.00 0.00 O ATOM 0 H ASP A 74 105.043 -7.150 4.218 1.00 0.00 H new ATOM 0 HA ASP A 74 105.597 -4.580 5.557 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.251 -5.368 5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 74 103.731 -6.817 6.352 1.00 0.00 H new ATOM 1214 N ALA A 75 107.602 -5.929 6.401 1.00 0.00 N ATOM 1215 CA ALA A 75 108.692 -6.525 7.128 1.00 0.00 C ATOM 1216 C ALA A 75 108.960 -5.700 8.377 1.00 0.00 C ATOM 1217 O ALA A 75 108.394 -4.608 8.510 1.00 0.00 O ATOM 1218 CB ALA A 75 109.937 -6.560 6.215 1.00 0.00 C ATOM 0 H ALA A 75 107.875 -5.135 5.822 1.00 0.00 H new ATOM 0 HA ALA A 75 108.446 -7.544 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.771 -7.010 6.754 1.00 0.00 H new ATOM 0 HB2 ALA A 75 109.719 -7.151 5.325 1.00 0.00 H new ATOM 0 HB3 ALA A 75 110.201 -5.544 5.920 1.00 0.00 H new ATOM 1224 N PRO A 76 109.776 -6.204 9.347 1.00 0.00 N ATOM 1225 CA PRO A 76 110.232 -5.378 10.470 1.00 0.00 C ATOM 1226 C PRO A 76 111.095 -4.256 9.906 1.00 0.00 C ATOM 1227 O PRO A 76 111.203 -3.164 10.461 1.00 0.00 O ATOM 1228 CB PRO A 76 111.080 -6.336 11.320 1.00 0.00 C ATOM 1229 CG PRO A 76 111.370 -7.508 10.445 1.00 0.00 C ATOM 1230 CD PRO A 76 110.247 -7.593 9.458 1.00 0.00 C ATOM 0 HA PRO A 76 109.427 -4.929 11.051 1.00 0.00 H new ATOM 0 HB2 PRO A 76 112.002 -5.856 11.648 1.00 0.00 H new ATOM 0 HB3 PRO A 76 110.543 -6.642 12.218 1.00 0.00 H new ATOM 0 HG2 PRO A 76 112.325 -7.384 9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 76 111.439 -8.423 11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 76 110.587 -7.979 8.497 1.00 0.00 H new ATOM 0 HD3 PRO A 76 109.456 -8.257 9.807 1.00 0.00 H new ATOM 1238 N LYS A 77 111.693 -4.567 8.781 1.00 0.00 N ATOM 1239 CA LYS A 77 112.430 -3.657 7.972 1.00 0.00 C ATOM 1240 C LYS A 77 111.534 -3.354 6.771 1.00 0.00 C ATOM 1241 O LYS A 77 110.318 -3.243 6.932 1.00 0.00 O ATOM 1242 CB LYS A 77 113.729 -4.346 7.526 1.00 0.00 C ATOM 1243 CG LYS A 77 114.649 -4.839 8.663 1.00 0.00 C ATOM 1244 CD LYS A 77 115.363 -3.707 9.399 1.00 0.00 C ATOM 1245 CE LYS A 77 114.445 -2.846 10.256 1.00 0.00 C ATOM 1246 NZ LYS A 77 115.151 -1.671 10.773 1.00 0.00 N ATOM 0 H LYS A 77 111.671 -5.511 8.396 1.00 0.00 H new ATOM 0 HA LYS A 77 112.697 -2.739 8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.470 -5.198 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 77 114.292 -3.651 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 77 114.057 -5.410 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 77 115.393 -5.520 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 77 116.140 -4.134 10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.862 -3.071 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 77 113.586 -2.527 9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 77 114.059 -3.437 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 114.460 -0.981 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 115.786 -1.959 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 115.709 -1.238 10.010 1.00 0.00 H new ATOM 1260 N GLU A 78 112.109 -3.244 5.606 1.00 0.00 N ATOM 1261 CA GLU A 78 111.393 -2.993 4.368 1.00 0.00 C ATOM 1262 C GLU A 78 112.448 -2.871 3.284 1.00 0.00 C ATOM 1263 O GLU A 78 113.562 -2.404 3.563 1.00 0.00 O ATOM 1264 CB GLU A 78 110.595 -1.674 4.426 1.00 0.00 C ATOM 1265 CG GLU A 78 109.609 -1.482 3.289 1.00 0.00 C ATOM 1266 CD GLU A 78 108.977 -0.119 3.288 1.00 0.00 C ATOM 1267 OE1 GLU A 78 108.395 0.293 4.311 1.00 0.00 O ATOM 1268 OE2 GLU A 78 109.023 0.561 2.253 1.00 0.00 O ATOM 0 H GLU A 78 113.118 -3.328 5.479 1.00 0.00 H new ATOM 0 HA GLU A 78 110.683 -3.799 4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.053 -1.634 5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 78 111.297 -0.840 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.121 -1.640 2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.828 -2.239 3.360 1.00 0.00 H new ATOM 1275 N VAL A 79 112.143 -3.302 2.092 1.00 0.00 N ATOM 1276 CA VAL A 79 113.070 -3.201 0.980 1.00 0.00 C ATOM 1277 C VAL A 79 112.281 -2.734 -0.230 1.00 0.00 C ATOM 1278 O VAL A 79 111.138 -3.123 -0.395 1.00 0.00 O ATOM 1279 CB VAL A 79 113.728 -4.578 0.625 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.846 -4.412 -0.383 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.241 -5.302 1.848 1.00 0.00 C ATOM 0 H VAL A 79 111.249 -3.733 1.856 1.00 0.00 H new ATOM 0 HA VAL A 79 113.866 -2.510 1.257 1.00 0.00 H new ATOM 0 HB VAL A 79 112.941 -5.188 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.281 -5.386 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.449 -3.972 -1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.614 -3.758 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.688 -6.250 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.992 -4.688 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.414 -5.490 2.533 1.00 0.00 H new ATOM 1291 N ASN A 80 112.872 -1.920 -1.066 1.00 0.00 N ATOM 1292 CA ASN A 80 112.200 -1.456 -2.292 1.00 0.00 C ATOM 1293 C ASN A 80 112.570 -2.359 -3.447 1.00 0.00 C ATOM 1294 O ASN A 80 112.580 -1.943 -4.602 1.00 0.00 O ATOM 1295 CB ASN A 80 112.591 -0.017 -2.643 1.00 0.00 C ATOM 1296 CG ASN A 80 112.224 1.010 -1.594 1.00 0.00 C ATOM 1297 OD1 ASN A 80 111.176 0.784 -0.852 1.00 0.00 O flip ATOM 1298 ND2 ASN A 80 112.897 2.019 -1.460 1.00 0.00 N flip ATOM 0 H ASN A 80 113.816 -1.555 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 80 111.126 -1.487 -2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.667 0.022 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 80 112.112 0.256 -3.583 1.00 0.00 H new ATOM 0 HD21 ASN A 80 113.712 2.171 -2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 80 112.644 2.710 -0.754 1.00 0.00 H new ATOM 1305 N LEU A 81 112.827 -3.606 -3.121 1.00 0.00 N ATOM 1306 CA LEU A 81 113.235 -4.621 -4.070 1.00 0.00 C ATOM 1307 C LEU A 81 112.177 -4.825 -5.140 1.00 0.00 C ATOM 1308 O LEU A 81 110.965 -4.786 -4.847 1.00 0.00 O ATOM 1309 CB LEU A 81 113.488 -5.937 -3.331 1.00 0.00 C ATOM 1310 CG LEU A 81 113.900 -7.142 -4.164 1.00 0.00 C ATOM 1311 CD1 LEU A 81 115.320 -6.991 -4.604 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.700 -8.430 -3.384 1.00 0.00 C ATOM 0 H LEU A 81 112.757 -3.952 -2.164 1.00 0.00 H new ATOM 0 HA LEU A 81 114.151 -4.290 -4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 81 114.265 -5.761 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.580 -6.198 -2.788 1.00 0.00 H new ATOM 0 HG LEU A 81 113.267 -7.194 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.610 -7.856 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 81 115.421 -6.087 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.966 -6.920 -3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 81 114.001 -9.278 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 114.306 -8.405 -2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.649 -8.532 -3.114 1.00 0.00 H new ATOM 1324 N ASP A 82 112.642 -5.000 -6.360 1.00 0.00 N ATOM 1325 CA ASP A 82 111.802 -5.282 -7.517 1.00 0.00 C ATOM 1326 C ASP A 82 110.895 -6.463 -7.222 1.00 0.00 C ATOM 1327 O ASP A 82 111.365 -7.532 -6.765 1.00 0.00 O ATOM 1328 CB ASP A 82 112.655 -5.573 -8.765 1.00 0.00 C ATOM 1329 CG ASP A 82 113.474 -4.385 -9.243 1.00 0.00 C ATOM 1330 OD1 ASP A 82 114.599 -4.171 -8.743 1.00 0.00 O ATOM 1331 OD2 ASP A 82 113.032 -3.664 -10.165 1.00 0.00 O ATOM 0 H ASP A 82 113.636 -4.950 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 82 111.194 -4.400 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.329 -6.402 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 82 112.000 -5.899 -9.573 1.00 0.00 H new ATOM 1336 N PHE A 83 109.608 -6.276 -7.472 1.00 0.00 N ATOM 1337 CA PHE A 83 108.594 -7.263 -7.137 1.00 0.00 C ATOM 1338 C PHE A 83 108.810 -8.619 -7.786 1.00 0.00 C ATOM 1339 O PHE A 83 108.487 -9.620 -7.194 1.00 0.00 O ATOM 1340 CB PHE A 83 107.147 -6.746 -7.332 1.00 0.00 C ATOM 1341 CG PHE A 83 106.788 -6.307 -8.725 1.00 0.00 C ATOM 1342 CD1 PHE A 83 106.325 -7.218 -9.659 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.897 -4.981 -9.089 1.00 0.00 C ATOM 1344 CE1 PHE A 83 105.984 -6.810 -10.933 1.00 0.00 C ATOM 1345 CE2 PHE A 83 106.559 -4.564 -10.361 1.00 0.00 C ATOM 1346 CZ PHE A 83 106.101 -5.480 -11.285 1.00 0.00 C ATOM 0 H PHE A 83 109.237 -5.435 -7.913 1.00 0.00 H new ATOM 0 HA PHE A 83 108.723 -7.426 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 83 106.457 -7.534 -7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.987 -5.907 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 83 106.230 -8.259 -9.388 1.00 0.00 H new ATOM 0 HD2 PHE A 83 107.252 -4.259 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 83 105.626 -7.530 -11.654 1.00 0.00 H new ATOM 0 HE2 PHE A 83 106.653 -3.523 -10.632 1.00 0.00 H new ATOM 0 HZ PHE A 83 105.835 -5.158 -12.281 1.00 0.00 H new ATOM 1356 N HIS A 84 109.382 -8.661 -8.970 1.00 0.00 N ATOM 1357 CA HIS A 84 109.634 -9.940 -9.625 1.00 0.00 C ATOM 1358 C HIS A 84 110.735 -10.731 -8.916 1.00 0.00 C ATOM 1359 O HIS A 84 110.672 -11.953 -8.852 1.00 0.00 O ATOM 1360 CB HIS A 84 109.932 -9.777 -11.127 1.00 0.00 C ATOM 1361 CG HIS A 84 110.201 -11.079 -11.855 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.269 -12.094 -11.984 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.313 -11.527 -12.483 1.00 0.00 C ATOM 1364 CE1 HIS A 84 109.798 -13.087 -12.656 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.029 -12.769 -12.969 1.00 0.00 N ATOM 0 H HIS A 84 109.680 -7.841 -9.498 1.00 0.00 H new ATOM 0 HA HIS A 84 108.714 -10.519 -9.547 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.087 -9.277 -11.601 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.796 -9.123 -11.245 1.00 0.00 H new ATOM 0 HD1 HIS A 84 108.319 -12.073 -11.614 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.250 -10.999 -12.581 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.302 -14.012 -12.909 1.00 0.00 H new ATOM 1374 N THR A 85 111.710 -10.043 -8.360 1.00 0.00 N ATOM 1375 CA THR A 85 112.783 -10.717 -7.664 1.00 0.00 C ATOM 1376 C THR A 85 112.236 -11.319 -6.378 1.00 0.00 C ATOM 1377 O THR A 85 112.402 -12.513 -6.107 1.00 0.00 O ATOM 1378 CB THR A 85 113.917 -9.740 -7.333 1.00 0.00 C ATOM 1379 OG1 THR A 85 114.340 -9.082 -8.533 1.00 0.00 O ATOM 1380 CG2 THR A 85 115.096 -10.474 -6.699 1.00 0.00 C ATOM 0 H THR A 85 111.781 -9.026 -8.376 1.00 0.00 H new ATOM 0 HA THR A 85 113.184 -11.501 -8.306 1.00 0.00 H new ATOM 0 HB THR A 85 113.550 -9.003 -6.619 1.00 0.00 H new ATOM 0 HG1 THR A 85 115.235 -9.396 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.889 -9.761 -6.472 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.770 -10.959 -5.779 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.472 -11.226 -7.392 1.00 0.00 H new ATOM 1388 N LYS A 86 111.523 -10.494 -5.623 1.00 0.00 N ATOM 1389 CA LYS A 86 110.910 -10.934 -4.384 1.00 0.00 C ATOM 1390 C LYS A 86 109.853 -12.001 -4.658 1.00 0.00 C ATOM 1391 O LYS A 86 109.681 -12.908 -3.873 1.00 0.00 O ATOM 1392 CB LYS A 86 110.373 -9.741 -3.568 1.00 0.00 C ATOM 1393 CG LYS A 86 109.335 -8.887 -4.269 1.00 0.00 C ATOM 1394 CD LYS A 86 109.031 -7.595 -3.512 1.00 0.00 C ATOM 1395 CE LYS A 86 108.449 -7.844 -2.130 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.137 -8.504 -2.187 1.00 0.00 N ATOM 0 H LYS A 86 111.356 -9.514 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 86 111.673 -11.401 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.941 -10.121 -2.642 1.00 0.00 H new ATOM 0 HB3 LYS A 86 111.214 -9.105 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 86 109.687 -8.643 -5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 86 108.416 -9.461 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 86 109.947 -7.012 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 86 108.331 -6.995 -4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.139 -8.461 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.353 -6.895 -1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 106.520 -8.115 -1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 106.705 -8.339 -3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.256 -9.526 -2.037 1.00 0.00 H new ATOM 1410 N GLU A 87 109.196 -11.897 -5.805 1.00 0.00 N ATOM 1411 CA GLU A 87 108.244 -12.907 -6.283 1.00 0.00 C ATOM 1412 C GLU A 87 108.915 -14.274 -6.344 1.00 0.00 C ATOM 1413 O GLU A 87 108.424 -15.251 -5.769 1.00 0.00 O ATOM 1414 CB GLU A 87 107.735 -12.526 -7.671 1.00 0.00 C ATOM 1415 CG GLU A 87 106.869 -13.562 -8.349 1.00 0.00 C ATOM 1416 CD GLU A 87 106.466 -13.126 -9.719 1.00 0.00 C ATOM 1417 OE1 GLU A 87 107.230 -13.331 -10.681 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.383 -12.558 -9.879 1.00 0.00 O ATOM 0 H GLU A 87 109.305 -11.106 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 87 107.404 -12.952 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.167 -11.599 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.593 -12.319 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 87 107.410 -14.506 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 87 105.979 -13.744 -7.747 1.00 0.00 H new ATOM 1425 N VAL A 88 110.050 -14.334 -7.003 1.00 0.00 N ATOM 1426 CA VAL A 88 110.785 -15.572 -7.118 1.00 0.00 C ATOM 1427 C VAL A 88 111.203 -16.063 -5.732 1.00 0.00 C ATOM 1428 O VAL A 88 111.040 -17.244 -5.410 1.00 0.00 O ATOM 1429 CB VAL A 88 112.018 -15.433 -8.044 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.734 -16.763 -8.175 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.595 -14.932 -9.413 1.00 0.00 C ATOM 0 H VAL A 88 110.485 -13.537 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 88 110.124 -16.309 -7.575 1.00 0.00 H new ATOM 0 HB VAL A 88 112.703 -14.710 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.598 -16.648 -8.829 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.065 -17.096 -7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.054 -17.502 -8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.472 -14.839 -10.053 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.894 -15.638 -9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.115 -13.959 -9.312 1.00 0.00 H new ATOM 1441 N ILE A 89 111.663 -15.138 -4.895 1.00 0.00 N ATOM 1442 CA ILE A 89 112.082 -15.458 -3.530 1.00 0.00 C ATOM 1443 C ILE A 89 110.920 -16.022 -2.714 1.00 0.00 C ATOM 1444 O ILE A 89 111.074 -17.027 -2.067 1.00 0.00 O ATOM 1445 CB ILE A 89 112.680 -14.233 -2.787 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.870 -13.663 -3.560 1.00 0.00 C ATOM 1447 CG2 ILE A 89 113.089 -14.599 -1.347 1.00 0.00 C ATOM 1448 CD1 ILE A 89 114.475 -12.446 -2.910 1.00 0.00 C ATOM 0 H ILE A 89 111.756 -14.152 -5.139 1.00 0.00 H new ATOM 0 HA ILE A 89 112.863 -16.212 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 89 111.908 -13.466 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.635 -14.434 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.549 -13.406 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.504 -13.721 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.214 -14.945 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.839 -15.390 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 89 115.314 -12.093 -3.509 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.723 -11.660 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.826 -12.704 -1.911 1.00 0.00 H new ATOM 1460 N THR A 90 109.753 -15.385 -2.779 1.00 0.00 N ATOM 1461 CA THR A 90 108.585 -15.842 -2.021 1.00 0.00 C ATOM 1462 C THR A 90 108.230 -17.301 -2.364 1.00 0.00 C ATOM 1463 O THR A 90 107.873 -18.093 -1.489 1.00 0.00 O ATOM 1464 CB THR A 90 107.342 -14.919 -2.221 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.978 -14.858 -3.602 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.606 -13.510 -1.720 1.00 0.00 C ATOM 0 H THR A 90 109.589 -14.553 -3.346 1.00 0.00 H new ATOM 0 HA THR A 90 108.864 -15.788 -0.969 1.00 0.00 H new ATOM 0 HB THR A 90 106.526 -15.351 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.676 -15.283 -4.143 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.719 -12.896 -1.876 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.844 -13.541 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.445 -13.080 -2.267 1.00 0.00 H new ATOM 1474 N ASN A 91 108.381 -17.666 -3.631 1.00 0.00 N ATOM 1475 CA ASN A 91 108.101 -19.035 -4.059 1.00 0.00 C ATOM 1476 C ASN A 91 109.245 -19.962 -3.707 1.00 0.00 C ATOM 1477 O ASN A 91 109.037 -21.091 -3.284 1.00 0.00 O ATOM 1478 CB ASN A 91 107.831 -19.138 -5.571 1.00 0.00 C ATOM 1479 CG ASN A 91 106.553 -18.472 -6.028 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.483 -19.072 -5.998 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.647 -17.251 -6.476 1.00 0.00 N ATOM 0 H ASN A 91 108.692 -17.042 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 91 107.199 -19.336 -3.525 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.669 -18.693 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 91 107.796 -20.191 -5.850 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.816 -16.767 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.552 -16.780 -6.487 1.00 0.00 H new ATOM 1488 N SER A 92 110.447 -19.472 -3.836 1.00 0.00 N ATOM 1489 CA SER A 92 111.624 -20.286 -3.646 1.00 0.00 C ATOM 1490 C SER A 92 112.147 -20.209 -2.206 1.00 0.00 C ATOM 1491 O SER A 92 113.202 -20.709 -1.911 1.00 0.00 O ATOM 1492 CB SER A 92 112.703 -19.835 -4.632 1.00 0.00 C ATOM 1493 OG SER A 92 112.158 -19.741 -5.950 1.00 0.00 O ATOM 0 H SER A 92 110.642 -18.500 -4.075 1.00 0.00 H new ATOM 0 HA SER A 92 111.359 -21.327 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 92 113.104 -18.869 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.533 -20.542 -4.623 1.00 0.00 H new ATOM 0 HG SER A 92 111.687 -18.888 -6.049 1.00 0.00 H new ATOM 1499 N ILE A 93 111.385 -19.616 -1.312 1.00 0.00 N ATOM 1500 CA ILE A 93 111.846 -19.454 0.060 1.00 0.00 C ATOM 1501 C ILE A 93 111.590 -20.731 0.865 1.00 0.00 C ATOM 1502 O ILE A 93 112.267 -21.028 1.848 1.00 0.00 O ATOM 1503 CB ILE A 93 111.184 -18.222 0.748 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.037 -17.779 1.915 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.747 -18.505 1.200 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.394 -17.263 1.478 1.00 0.00 C ATOM 0 H ILE A 93 110.455 -19.241 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 93 112.920 -19.271 0.030 1.00 0.00 H new ATOM 0 HB ILE A 93 111.124 -17.420 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.515 -16.997 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.173 -18.616 2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.332 -17.615 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.140 -18.773 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.746 -19.329 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.967 -16.958 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.930 -18.052 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.262 -16.408 0.815 1.00 0.00 H new ATOM 1518 N THR A 94 110.619 -21.480 0.416 1.00 0.00 N ATOM 1519 CA THR A 94 110.259 -22.747 1.011 1.00 0.00 C ATOM 1520 C THR A 94 111.109 -23.879 0.365 1.00 0.00 C ATOM 1521 O THR A 94 110.962 -25.060 0.676 1.00 0.00 O ATOM 1522 CB THR A 94 108.722 -22.992 0.815 1.00 0.00 C ATOM 1523 OG1 THR A 94 108.289 -24.205 1.443 1.00 0.00 O ATOM 1524 CG2 THR A 94 108.345 -23.006 -0.665 1.00 0.00 C ATOM 0 H THR A 94 110.044 -21.226 -0.387 1.00 0.00 H new ATOM 0 HA THR A 94 110.466 -22.739 2.081 1.00 0.00 H new ATOM 0 HB THR A 94 108.210 -22.160 1.298 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.995 -24.881 1.370 1.00 0.00 H new ATOM 0 HG21 THR A 94 107.273 -23.178 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 94 108.603 -22.047 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 94 108.890 -23.803 -1.172 1.00 0.00 H new ATOM 1532 N GLN A 95 112.032 -23.472 -0.494 1.00 0.00 N ATOM 1533 CA GLN A 95 112.894 -24.377 -1.258 1.00 0.00 C ATOM 1534 C GLN A 95 114.174 -23.620 -1.725 1.00 0.00 C ATOM 1535 O GLN A 95 114.567 -23.721 -2.889 1.00 0.00 O ATOM 1536 CB GLN A 95 112.092 -24.854 -2.478 1.00 0.00 C ATOM 1537 CG GLN A 95 111.446 -23.706 -3.246 1.00 0.00 C ATOM 1538 CD GLN A 95 110.667 -24.139 -4.454 1.00 0.00 C ATOM 1539 OE1 GLN A 95 110.989 -25.135 -5.099 1.00 0.00 O ATOM 1540 NE2 GLN A 95 109.639 -23.408 -4.760 1.00 0.00 N ATOM 0 H GLN A 95 112.210 -22.486 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 95 113.203 -25.224 -0.646 1.00 0.00 H new ATOM 0 HB2 GLN A 95 112.751 -25.407 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 95 111.317 -25.547 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 95 110.782 -23.162 -2.574 1.00 0.00 H new ATOM 0 HG3 GLN A 95 112.224 -23.009 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 95 109.409 -22.590 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 95 109.061 -23.652 -5.564 1.00 0.00 H new ATOM 1549 N PRO A 96 114.888 -22.916 -0.807 1.00 0.00 N ATOM 1550 CA PRO A 96 115.974 -22.022 -1.191 1.00 0.00 C ATOM 1551 C PRO A 96 117.302 -22.728 -1.442 1.00 0.00 C ATOM 1552 O PRO A 96 117.488 -23.905 -1.090 1.00 0.00 O ATOM 1553 CB PRO A 96 116.083 -21.096 0.011 1.00 0.00 C ATOM 1554 CG PRO A 96 115.722 -21.951 1.172 1.00 0.00 C ATOM 1555 CD PRO A 96 114.752 -22.982 0.661 1.00 0.00 C ATOM 0 HA PRO A 96 115.763 -21.524 -2.138 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.091 -20.694 0.112 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.408 -20.245 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 96 116.608 -22.427 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.272 -21.356 1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 96 114.993 -23.976 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 96 113.733 -22.760 0.976 1.00 0.00 H new ATOM 1563 N THR A 97 118.204 -21.999 -2.025 1.00 0.00 N ATOM 1564 CA THR A 97 119.525 -22.444 -2.365 1.00 0.00 C ATOM 1565 C THR A 97 120.514 -21.350 -2.028 1.00 0.00 C ATOM 1566 O THR A 97 120.115 -20.263 -1.614 1.00 0.00 O ATOM 1567 CB THR A 97 119.601 -22.873 -3.850 1.00 0.00 C ATOM 1568 OG1 THR A 97 118.823 -21.971 -4.668 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.107 -24.302 -4.042 1.00 0.00 C ATOM 0 H THR A 97 118.032 -21.029 -2.290 1.00 0.00 H new ATOM 0 HA THR A 97 119.780 -23.328 -1.781 1.00 0.00 H new ATOM 0 HB THR A 97 120.646 -22.832 -4.157 1.00 0.00 H new ATOM 0 HG1 THR A 97 118.879 -22.250 -5.606 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.174 -24.572 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.723 -24.982 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.070 -24.376 -3.714 1.00 0.00 H new ATOM 1577 N LEU A 98 121.774 -21.621 -2.238 1.00 0.00 N ATOM 1578 CA LEU A 98 122.871 -20.797 -1.759 1.00 0.00 C ATOM 1579 C LEU A 98 122.851 -19.338 -2.269 1.00 0.00 C ATOM 1580 O LEU A 98 123.489 -18.458 -1.687 1.00 0.00 O ATOM 1581 CB LEU A 98 124.187 -21.473 -2.118 1.00 0.00 C ATOM 1582 CG LEU A 98 125.379 -21.056 -1.293 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.080 -21.359 0.155 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.613 -21.811 -1.745 1.00 0.00 C ATOM 0 H LEU A 98 122.083 -22.441 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 98 122.754 -20.716 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.060 -22.551 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.405 -21.271 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 98 125.569 -19.990 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.930 -21.065 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.196 -20.804 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.898 -22.427 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.468 -21.503 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.450 -22.882 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 98 126.810 -21.592 -2.794 1.00 0.00 H new ATOM 1596 N HIS A 99 122.148 -19.075 -3.344 1.00 0.00 N ATOM 1597 CA HIS A 99 122.099 -17.732 -3.887 1.00 0.00 C ATOM 1598 C HIS A 99 120.663 -17.272 -4.152 1.00 0.00 C ATOM 1599 O HIS A 99 120.411 -16.495 -5.077 1.00 0.00 O ATOM 1600 CB HIS A 99 123.000 -17.597 -5.147 1.00 0.00 C ATOM 1601 CG HIS A 99 124.483 -17.619 -4.839 1.00 0.00 C ATOM 1602 ND1 HIS A 99 125.254 -16.476 -4.712 1.00 0.00 N ATOM 1603 CD2 HIS A 99 125.318 -18.650 -4.568 1.00 0.00 C ATOM 1604 CE1 HIS A 99 126.478 -16.810 -4.357 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.542 -18.116 -4.272 1.00 0.00 N ATOM 0 H HIS A 99 121.604 -19.766 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 99 122.503 -17.061 -3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.769 -18.409 -5.837 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.758 -16.665 -5.658 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.925 -15.523 -4.869 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.064 -19.700 -4.583 1.00 0.00 H new ATOM 0 HE1 HIS A 99 127.290 -16.124 -4.168 1.00 0.00 H new ATOM 1614 N SER A 100 119.736 -17.691 -3.285 1.00 0.00 N ATOM 1615 CA SER A 100 118.320 -17.297 -3.382 1.00 0.00 C ATOM 1616 C SER A 100 118.092 -15.767 -3.331 1.00 0.00 C ATOM 1617 O SER A 100 117.113 -15.267 -3.873 1.00 0.00 O ATOM 1618 CB SER A 100 117.482 -18.012 -2.305 1.00 0.00 C ATOM 1619 OG SER A 100 117.494 -19.401 -2.543 1.00 0.00 O ATOM 0 H SER A 100 119.940 -18.309 -2.500 1.00 0.00 H new ATOM 0 HA SER A 100 117.986 -17.615 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.885 -17.799 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.458 -17.639 -2.319 1.00 0.00 H new ATOM 0 HG SER A 100 117.964 -19.585 -3.383 1.00 0.00 H new ATOM 1625 N PHE A 101 118.997 -15.032 -2.708 1.00 0.00 N ATOM 1626 CA PHE A 101 118.838 -13.577 -2.609 1.00 0.00 C ATOM 1627 C PHE A 101 119.833 -12.861 -3.492 1.00 0.00 C ATOM 1628 O PHE A 101 119.897 -11.645 -3.492 1.00 0.00 O ATOM 1629 CB PHE A 101 119.047 -13.099 -1.176 1.00 0.00 C ATOM 1630 CG PHE A 101 118.139 -13.712 -0.171 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.835 -13.276 -0.031 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.595 -14.713 0.654 1.00 0.00 C ATOM 1633 CE1 PHE A 101 116.010 -13.838 0.913 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.774 -15.273 1.589 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.481 -14.833 1.718 1.00 0.00 C ATOM 0 H PHE A 101 119.839 -15.403 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 101 117.823 -13.347 -2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 101 120.077 -13.306 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.919 -12.017 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.462 -12.488 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.614 -15.060 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.992 -13.493 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.142 -16.063 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.834 -15.276 2.460 1.00 0.00 H new ATOM 1645 N ASP A 102 120.563 -13.615 -4.284 1.00 0.00 N ATOM 1646 CA ASP A 102 121.682 -13.066 -5.070 1.00 0.00 C ATOM 1647 C ASP A 102 121.194 -12.072 -6.130 1.00 0.00 C ATOM 1648 O ASP A 102 121.861 -11.061 -6.410 1.00 0.00 O ATOM 1649 CB ASP A 102 122.463 -14.203 -5.712 1.00 0.00 C ATOM 1650 CG ASP A 102 123.797 -13.800 -6.268 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.876 -13.374 -7.432 1.00 0.00 O ATOM 1652 OD2 ASP A 102 124.812 -13.975 -5.554 1.00 0.00 O ATOM 0 H ASP A 102 120.413 -14.616 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 102 122.339 -12.517 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 102 122.614 -14.988 -4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.863 -14.633 -6.514 1.00 0.00 H new ATOM 1657 N ALA A 103 120.016 -12.341 -6.696 1.00 0.00 N ATOM 1658 CA ALA A 103 119.410 -11.440 -7.674 1.00 0.00 C ATOM 1659 C ALA A 103 118.977 -10.181 -6.981 1.00 0.00 C ATOM 1660 O ALA A 103 119.199 -9.070 -7.466 1.00 0.00 O ATOM 1661 CB ALA A 103 118.202 -12.081 -8.366 1.00 0.00 C ATOM 0 H ALA A 103 119.464 -13.175 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 103 120.155 -11.219 -8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.780 -11.379 -9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 103 118.518 -12.986 -8.885 1.00 0.00 H new ATOM 0 HB3 ALA A 103 117.448 -12.334 -7.621 1.00 0.00 H new ATOM 1667 N ALA A 104 118.399 -10.367 -5.814 1.00 0.00 N ATOM 1668 CA ALA A 104 117.907 -9.288 -5.001 1.00 0.00 C ATOM 1669 C ALA A 104 119.021 -8.360 -4.562 1.00 0.00 C ATOM 1670 O ALA A 104 118.822 -7.154 -4.491 1.00 0.00 O ATOM 1671 CB ALA A 104 117.126 -9.828 -3.825 1.00 0.00 C ATOM 0 H ALA A 104 118.258 -11.289 -5.401 1.00 0.00 H new ATOM 0 HA ALA A 104 117.229 -8.689 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.760 -8.999 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 104 116.281 -10.413 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.773 -10.462 -3.219 1.00 0.00 H new ATOM 1677 N GLN A 105 120.196 -8.914 -4.311 1.00 0.00 N ATOM 1678 CA GLN A 105 121.362 -8.114 -3.952 1.00 0.00 C ATOM 1679 C GLN A 105 121.702 -7.168 -5.085 1.00 0.00 C ATOM 1680 O GLN A 105 121.996 -5.998 -4.866 1.00 0.00 O ATOM 1681 CB GLN A 105 122.572 -8.987 -3.675 1.00 0.00 C ATOM 1682 CG GLN A 105 122.334 -10.062 -2.656 1.00 0.00 C ATOM 1683 CD GLN A 105 123.589 -10.797 -2.269 1.00 0.00 C ATOM 1684 OE1 GLN A 105 123.553 -11.981 -1.962 1.00 0.00 O ATOM 1685 NE2 GLN A 105 124.692 -10.102 -2.233 1.00 0.00 N ATOM 0 H GLN A 105 120.371 -9.918 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 105 121.114 -7.558 -3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 105 122.893 -9.451 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 105 123.392 -8.355 -3.335 1.00 0.00 H new ATOM 0 HG2 GLN A 105 121.891 -9.618 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 105 121.610 -10.775 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 105 124.683 -9.117 -2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 105 125.564 -10.544 -1.942 1.00 0.00 H new ATOM 1694 N SER A 106 121.607 -7.679 -6.298 1.00 0.00 N ATOM 1695 CA SER A 106 121.908 -6.916 -7.479 1.00 0.00 C ATOM 1696 C SER A 106 120.834 -5.827 -7.676 1.00 0.00 C ATOM 1697 O SER A 106 121.140 -4.704 -8.093 1.00 0.00 O ATOM 1698 CB SER A 106 121.995 -7.865 -8.699 1.00 0.00 C ATOM 1699 OG SER A 106 122.524 -7.217 -9.849 1.00 0.00 O ATOM 0 H SER A 106 121.317 -8.639 -6.485 1.00 0.00 H new ATOM 0 HA SER A 106 122.872 -6.419 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 106 122.621 -8.721 -8.447 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.002 -8.252 -8.927 1.00 0.00 H new ATOM 0 HG SER A 106 122.563 -7.853 -10.594 1.00 0.00 H new ATOM 1705 N ARG A 107 119.582 -6.156 -7.332 1.00 0.00 N ATOM 1706 CA ARG A 107 118.483 -5.195 -7.439 1.00 0.00 C ATOM 1707 C ARG A 107 118.673 -4.084 -6.430 1.00 0.00 C ATOM 1708 O ARG A 107 118.563 -2.922 -6.751 1.00 0.00 O ATOM 1709 CB ARG A 107 117.117 -5.840 -7.211 1.00 0.00 C ATOM 1710 CG ARG A 107 116.816 -7.081 -8.040 1.00 0.00 C ATOM 1711 CD ARG A 107 117.070 -6.885 -9.531 1.00 0.00 C ATOM 1712 NE ARG A 107 116.281 -5.799 -10.115 1.00 0.00 N ATOM 1713 CZ ARG A 107 116.320 -5.427 -11.399 1.00 0.00 C ATOM 1714 NH1 ARG A 107 117.174 -6.007 -12.248 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.505 -4.469 -11.825 1.00 0.00 N ATOM 0 H ARG A 107 119.309 -7.074 -6.980 1.00 0.00 H new ATOM 0 HA ARG A 107 118.503 -4.802 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 107 117.033 -6.103 -6.157 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.348 -5.096 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 107 117.428 -7.908 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.775 -7.366 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 107 118.129 -6.681 -9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.843 -7.813 -10.056 1.00 0.00 H new ATOM 0 HE ARG A 107 115.653 -5.287 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.803 -6.739 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 107 117.197 -5.717 -13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.857 -4.024 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 107 115.527 -4.178 -12.802 1.00 0.00 H new ATOM 1729 N VAL A 108 119.003 -4.457 -5.228 1.00 0.00 N ATOM 1730 CA VAL A 108 119.225 -3.505 -4.167 1.00 0.00 C ATOM 1731 C VAL A 108 120.455 -2.641 -4.434 1.00 0.00 C ATOM 1732 O VAL A 108 120.440 -1.435 -4.172 1.00 0.00 O ATOM 1733 CB VAL A 108 119.282 -4.208 -2.804 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.700 -3.256 -1.712 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.912 -4.765 -2.499 1.00 0.00 C ATOM 0 H VAL A 108 119.127 -5.431 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 108 118.375 -2.824 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 108 120.022 -5.007 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.730 -3.785 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.689 -2.856 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.983 -2.437 -1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.931 -5.269 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.187 -3.952 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.628 -5.477 -3.274 1.00 0.00 H new ATOM 1745 N TYR A 109 121.495 -3.248 -4.980 1.00 0.00 N ATOM 1746 CA TYR A 109 122.684 -2.520 -5.391 1.00 0.00 C ATOM 1747 C TYR A 109 122.322 -1.388 -6.366 1.00 0.00 C ATOM 1748 O TYR A 109 122.685 -0.247 -6.148 1.00 0.00 O ATOM 1749 CB TYR A 109 123.745 -3.498 -5.990 1.00 0.00 C ATOM 1750 CG TYR A 109 124.755 -2.856 -6.946 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.430 -2.638 -8.283 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.997 -2.433 -6.508 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.299 -2.026 -9.141 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.880 -1.806 -7.370 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.522 -1.607 -8.686 1.00 0.00 C ATOM 1756 OH TYR A 109 127.376 -0.940 -9.543 1.00 0.00 O ATOM 0 H TYR A 109 121.540 -4.253 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 109 123.131 -2.054 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.291 -3.964 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.223 -4.295 -6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.467 -2.961 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.282 -2.594 -5.479 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.023 -1.873 -10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.844 -1.475 -7.013 1.00 0.00 H new ATOM 0 HH TYR A 109 126.896 -0.204 -9.976 1.00 0.00 H new ATOM 1766 N GLN A 110 121.562 -1.708 -7.415 1.00 0.00 N ATOM 1767 CA GLN A 110 121.201 -0.699 -8.414 1.00 0.00 C ATOM 1768 C GLN A 110 120.215 0.301 -7.842 1.00 0.00 C ATOM 1769 O GLN A 110 120.228 1.484 -8.211 1.00 0.00 O ATOM 1770 CB GLN A 110 120.646 -1.321 -9.700 1.00 0.00 C ATOM 1771 CG GLN A 110 119.491 -2.277 -9.487 1.00 0.00 C ATOM 1772 CD GLN A 110 118.814 -2.666 -10.767 1.00 0.00 C ATOM 1773 OE1 GLN A 110 119.204 -3.625 -11.416 1.00 0.00 O ATOM 1774 NE2 GLN A 110 117.777 -1.970 -11.121 1.00 0.00 N ATOM 0 H GLN A 110 121.190 -2.641 -7.594 1.00 0.00 H new ATOM 0 HA GLN A 110 122.121 -0.177 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.321 -0.521 -10.365 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.451 -1.851 -10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 110 119.856 -3.174 -8.987 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.762 -1.816 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 110 117.479 -1.175 -10.555 1.00 0.00 H new ATOM 0 HE22 GLN A 110 117.260 -2.218 -11.965 1.00 0.00 H new ATOM 1783 N LEU A 111 119.388 -0.188 -6.944 1.00 0.00 N ATOM 1784 CA LEU A 111 118.390 0.579 -6.240 1.00 0.00 C ATOM 1785 C LEU A 111 119.034 1.748 -5.507 1.00 0.00 C ATOM 1786 O LEU A 111 118.748 2.908 -5.808 1.00 0.00 O ATOM 1787 CB LEU A 111 117.678 -0.353 -5.268 1.00 0.00 C ATOM 1788 CG LEU A 111 116.653 0.240 -4.332 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.501 0.849 -5.105 1.00 0.00 C ATOM 1790 CD2 LEU A 111 116.171 -0.836 -3.381 1.00 0.00 C ATOM 0 H LEU A 111 119.395 -1.172 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 111 117.669 0.997 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.185 -1.130 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 111 118.438 -0.845 -4.661 1.00 0.00 H new ATOM 0 HG LEU A 111 117.111 1.044 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 111 114.777 1.269 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 111 115.877 1.638 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.020 0.079 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 111 115.430 -0.415 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 111 115.721 -1.650 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 111 117.015 -1.218 -2.806 1.00 0.00 H new ATOM 1802 N MET A 112 119.938 1.461 -4.596 1.00 0.00 N ATOM 1803 CA MET A 112 120.580 2.532 -3.874 1.00 0.00 C ATOM 1804 C MET A 112 121.722 3.181 -4.620 1.00 0.00 C ATOM 1805 O MET A 112 122.194 4.226 -4.222 1.00 0.00 O ATOM 1806 CB MET A 112 120.875 2.245 -2.388 1.00 0.00 C ATOM 1807 CG MET A 112 121.321 0.856 -2.022 1.00 0.00 C ATOM 1808 SD MET A 112 122.863 0.377 -2.749 1.00 0.00 S ATOM 1809 CE MET A 112 123.141 -1.133 -1.861 1.00 0.00 C ATOM 0 H MET A 112 120.238 0.519 -4.343 1.00 0.00 H new ATOM 0 HA MET A 112 119.808 3.300 -3.827 1.00 0.00 H new ATOM 0 HB2 MET A 112 121.644 2.943 -2.057 1.00 0.00 H new ATOM 0 HB3 MET A 112 119.974 2.470 -1.817 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.406 0.787 -0.937 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.552 0.147 -2.327 1.00 0.00 H new ATOM 0 HE1 MET A 112 124.187 -1.423 -1.955 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.898 -0.986 -0.809 1.00 0.00 H new ATOM 0 HE3 MET A 112 122.508 -1.919 -2.273 1.00 0.00 H new ATOM 1819 N GLU A 113 122.140 2.588 -5.723 1.00 0.00 N ATOM 1820 CA GLU A 113 123.119 3.218 -6.597 1.00 0.00 C ATOM 1821 C GLU A 113 122.512 4.508 -7.170 1.00 0.00 C ATOM 1822 O GLU A 113 122.985 5.617 -6.898 1.00 0.00 O ATOM 1823 CB GLU A 113 123.501 2.270 -7.748 1.00 0.00 C ATOM 1824 CG GLU A 113 124.541 2.823 -8.716 1.00 0.00 C ATOM 1825 CD GLU A 113 124.847 1.870 -9.850 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.973 1.662 -10.722 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.982 1.338 -9.929 1.00 0.00 O ATOM 0 H GLU A 113 121.819 1.672 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 113 124.019 3.448 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.879 1.340 -7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.600 2.021 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.183 3.767 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.460 3.040 -8.171 1.00 0.00 H new ATOM 1834 N GLN A 114 121.411 4.353 -7.880 1.00 0.00 N ATOM 1835 CA GLN A 114 120.751 5.467 -8.562 1.00 0.00 C ATOM 1836 C GLN A 114 120.149 6.463 -7.585 1.00 0.00 C ATOM 1837 O GLN A 114 119.981 7.636 -7.907 1.00 0.00 O ATOM 1838 CB GLN A 114 119.657 4.944 -9.496 1.00 0.00 C ATOM 1839 CG GLN A 114 118.592 4.141 -8.778 1.00 0.00 C ATOM 1840 CD GLN A 114 117.539 3.580 -9.689 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.206 4.154 -10.724 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.000 2.461 -9.311 1.00 0.00 N ATOM 0 H GLN A 114 120.944 3.455 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 114 121.516 5.986 -9.140 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.187 5.787 -10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.113 4.323 -10.267 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.069 3.321 -8.241 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.113 4.775 -8.032 1.00 0.00 H new ATOM 0 HE21 GLN A 114 117.304 2.015 -8.445 1.00 0.00 H new ATOM 0 HE22 GLN A 114 116.273 2.027 -9.880 1.00 0.00 H new ATOM 1851 N ASP A 115 119.811 6.010 -6.405 1.00 0.00 N ATOM 1852 CA ASP A 115 119.164 6.890 -5.467 1.00 0.00 C ATOM 1853 C ASP A 115 120.110 7.440 -4.419 1.00 0.00 C ATOM 1854 O ASP A 115 120.263 8.633 -4.312 1.00 0.00 O ATOM 1855 CB ASP A 115 117.946 6.236 -4.818 1.00 0.00 C ATOM 1856 CG ASP A 115 117.232 7.181 -3.876 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.684 8.217 -4.347 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.189 6.910 -2.659 1.00 0.00 O ATOM 0 H ASP A 115 119.969 5.058 -6.076 1.00 0.00 H new ATOM 0 HA ASP A 115 118.816 7.741 -6.052 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.255 5.906 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.260 5.347 -4.271 1.00 0.00 H new ATOM 1863 N SER A 116 120.766 6.577 -3.686 1.00 0.00 N ATOM 1864 CA SER A 116 121.590 7.017 -2.581 1.00 0.00 C ATOM 1865 C SER A 116 123.067 7.256 -2.953 1.00 0.00 C ATOM 1866 O SER A 116 123.714 8.061 -2.324 1.00 0.00 O ATOM 1867 CB SER A 116 121.476 6.031 -1.416 1.00 0.00 C ATOM 1868 OG SER A 116 120.124 5.908 -0.983 1.00 0.00 O ATOM 0 H SER A 116 120.748 5.567 -3.831 1.00 0.00 H new ATOM 0 HA SER A 116 121.204 7.991 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 116 121.854 5.055 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.098 6.368 -0.587 1.00 0.00 H new ATOM 0 HG SER A 116 119.903 6.652 -0.384 1.00 0.00 H new ATOM 1874 N TYR A 117 123.590 6.593 -3.984 1.00 0.00 N ATOM 1875 CA TYR A 117 125.018 6.718 -4.316 1.00 0.00 C ATOM 1876 C TYR A 117 125.360 8.093 -4.863 1.00 0.00 C ATOM 1877 O TYR A 117 126.408 8.653 -4.560 1.00 0.00 O ATOM 1878 CB TYR A 117 125.449 5.603 -5.262 1.00 0.00 C ATOM 1879 CG TYR A 117 126.817 5.762 -5.869 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.960 5.839 -5.086 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.959 5.826 -7.240 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.203 5.982 -5.663 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.187 5.966 -7.817 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.306 6.045 -7.032 1.00 0.00 C ATOM 1885 OH TYR A 117 130.537 6.185 -7.622 1.00 0.00 O ATOM 0 H TYR A 117 123.061 5.973 -4.597 1.00 0.00 H new ATOM 0 HA TYR A 117 125.585 6.609 -3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.419 4.658 -4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.719 5.531 -6.068 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.874 5.786 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.082 5.764 -7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.087 6.044 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.277 6.014 -8.892 1.00 0.00 H new ATOM 0 HH TYR A 117 131.238 6.083 -6.945 1.00 0.00 H new ATOM 1895 N THR A 118 124.472 8.631 -5.629 1.00 0.00 N ATOM 1896 CA THR A 118 124.624 9.960 -6.174 1.00 0.00 C ATOM 1897 C THR A 118 124.624 10.990 -5.022 1.00 0.00 C ATOM 1898 O THR A 118 125.503 11.884 -4.922 1.00 0.00 O ATOM 1899 CB THR A 118 123.458 10.200 -7.128 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.264 9.732 -6.475 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.662 9.413 -8.415 1.00 0.00 C ATOM 0 H THR A 118 123.607 8.165 -5.904 1.00 0.00 H new ATOM 0 HA THR A 118 125.566 10.064 -6.713 1.00 0.00 H new ATOM 0 HB THR A 118 123.385 11.259 -7.376 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.493 9.874 -7.063 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.823 9.592 -9.088 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.587 9.733 -8.895 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.722 8.349 -8.185 1.00 0.00 H new ATOM 1909 N ARG A 119 123.682 10.794 -4.111 1.00 0.00 N ATOM 1910 CA ARG A 119 123.566 11.625 -2.933 1.00 0.00 C ATOM 1911 C ARG A 119 124.806 11.426 -2.076 1.00 0.00 C ATOM 1912 O ARG A 119 125.307 12.358 -1.478 1.00 0.00 O ATOM 1913 CB ARG A 119 122.330 11.256 -2.112 1.00 0.00 C ATOM 1914 CG ARG A 119 121.047 11.136 -2.893 1.00 0.00 C ATOM 1915 CD ARG A 119 120.725 12.376 -3.675 1.00 0.00 C ATOM 1916 NE ARG A 119 119.499 12.207 -4.450 1.00 0.00 N ATOM 1917 CZ ARG A 119 119.061 13.068 -5.361 1.00 0.00 C ATOM 1918 NH1 ARG A 119 119.825 14.075 -5.748 1.00 0.00 N ATOM 1919 NH2 ARG A 119 117.900 12.877 -5.951 1.00 0.00 N ATOM 0 H ARG A 119 122.981 10.055 -4.172 1.00 0.00 H new ATOM 0 HA ARG A 119 123.470 12.664 -3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.519 10.308 -1.609 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.193 12.008 -1.335 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.120 10.290 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 119 120.228 10.922 -2.207 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.615 13.220 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 119 121.552 12.612 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 119 118.941 11.370 -4.280 1.00 0.00 H new ATOM 0 HH11 ARG A 119 120.755 14.193 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 119 119.484 14.734 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 119 117.332 12.065 -5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 119 117.568 13.541 -6.650 1.00 0.00 H new ATOM 1933 N PHE A 120 125.291 10.193 -2.040 1.00 0.00 N ATOM 1934 CA PHE A 120 126.500 9.840 -1.335 1.00 0.00 C ATOM 1935 C PHE A 120 127.687 10.597 -1.905 1.00 0.00 C ATOM 1936 O PHE A 120 128.502 11.095 -1.166 1.00 0.00 O ATOM 1937 CB PHE A 120 126.755 8.317 -1.370 1.00 0.00 C ATOM 1938 CG PHE A 120 128.118 7.901 -0.868 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.387 7.806 0.487 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.133 7.612 -1.768 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.647 7.430 0.927 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.380 7.239 -1.329 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.638 7.149 0.017 1.00 0.00 C ATOM 0 H PHE A 120 124.845 9.404 -2.508 1.00 0.00 H new ATOM 0 HA PHE A 120 126.372 10.126 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 120 125.993 7.819 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.635 7.964 -2.394 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.611 8.026 1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 120 128.940 7.681 -2.828 1.00 0.00 H new ATOM 0 HE1 PHE A 120 129.850 7.358 1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.159 7.016 -2.043 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.620 6.857 0.360 1.00 0.00 H new ATOM 1953 N LEU A 121 127.757 10.718 -3.209 1.00 0.00 N ATOM 1954 CA LEU A 121 128.842 11.459 -3.838 1.00 0.00 C ATOM 1955 C LEU A 121 128.844 12.920 -3.400 1.00 0.00 C ATOM 1956 O LEU A 121 129.881 13.584 -3.416 1.00 0.00 O ATOM 1957 CB LEU A 121 128.813 11.322 -5.358 1.00 0.00 C ATOM 1958 CG LEU A 121 129.068 9.914 -5.890 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.991 9.892 -7.406 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.424 9.416 -5.418 1.00 0.00 C ATOM 0 H LEU A 121 127.082 10.317 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 121 129.779 11.017 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 121 127.841 11.658 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.560 11.994 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 121 128.296 9.250 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.176 8.880 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.000 10.215 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.742 10.566 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.597 8.411 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.204 10.083 -5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.445 9.396 -4.328 1.00 0.00 H new ATOM 1972 N LYS A 122 127.685 13.420 -3.013 1.00 0.00 N ATOM 1973 CA LYS A 122 127.614 14.755 -2.434 1.00 0.00 C ATOM 1974 C LYS A 122 127.327 14.766 -0.926 1.00 0.00 C ATOM 1975 O LYS A 122 127.068 15.820 -0.350 1.00 0.00 O ATOM 1976 CB LYS A 122 126.659 15.658 -3.212 1.00 0.00 C ATOM 1977 CG LYS A 122 127.241 16.065 -4.547 1.00 0.00 C ATOM 1978 CD LYS A 122 128.557 16.797 -4.323 1.00 0.00 C ATOM 1979 CE LYS A 122 129.309 17.056 -5.605 1.00 0.00 C ATOM 1980 NZ LYS A 122 128.555 17.883 -6.544 1.00 0.00 N ATOM 0 H LYS A 122 126.791 12.934 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 122 128.616 15.172 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.714 15.139 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.439 16.549 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 122 127.403 15.185 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.541 16.708 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.359 17.746 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.184 16.210 -3.652 1.00 0.00 H new ATOM 0 HE2 LYS A 122 130.255 17.546 -5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.551 16.104 -6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 129.154 18.114 -7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 127.714 17.363 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 128.259 18.761 -6.073 1.00 0.00 H new ATOM 1994 N SER A 123 127.395 13.613 -0.292 1.00 0.00 N ATOM 1995 CA SER A 123 127.170 13.518 1.144 1.00 0.00 C ATOM 1996 C SER A 123 128.373 14.025 1.903 1.00 0.00 C ATOM 1997 O SER A 123 129.506 13.944 1.407 1.00 0.00 O ATOM 1998 CB SER A 123 126.901 12.073 1.562 1.00 0.00 C ATOM 1999 OG SER A 123 128.049 11.252 1.375 1.00 0.00 O ATOM 0 H SER A 123 127.605 12.724 -0.746 1.00 0.00 H new ATOM 0 HA SER A 123 126.299 14.130 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.600 12.046 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.069 11.674 0.981 1.00 0.00 H new ATOM 0 HG SER A 123 128.470 11.468 0.517 1.00 0.00 H new ATOM 2005 N ASP A 124 128.142 14.495 3.117 1.00 0.00 N ATOM 2006 CA ASP A 124 129.209 14.988 3.986 1.00 0.00 C ATOM 2007 C ASP A 124 130.235 13.916 4.251 1.00 0.00 C ATOM 2008 O ASP A 124 131.422 14.208 4.346 1.00 0.00 O ATOM 2009 CB ASP A 124 128.670 15.499 5.332 1.00 0.00 C ATOM 2010 CG ASP A 124 127.942 16.808 5.237 1.00 0.00 C ATOM 2011 OD1 ASP A 124 128.593 17.874 5.370 1.00 0.00 O ATOM 2012 OD2 ASP A 124 126.712 16.817 5.033 1.00 0.00 O ATOM 0 H ASP A 124 127.212 14.548 3.532 1.00 0.00 H new ATOM 0 HA ASP A 124 129.673 15.819 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 124 127.998 14.750 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.502 15.606 6.028 1.00 0.00 H new ATOM 2017 N ILE A 125 129.784 12.678 4.350 1.00 0.00 N ATOM 2018 CA ILE A 125 130.671 11.574 4.639 1.00 0.00 C ATOM 2019 C ILE A 125 131.661 11.338 3.457 1.00 0.00 C ATOM 2020 O ILE A 125 132.876 11.152 3.667 1.00 0.00 O ATOM 2021 CB ILE A 125 129.876 10.264 5.031 1.00 0.00 C ATOM 2022 CG1 ILE A 125 130.768 9.277 5.769 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.228 9.579 3.840 1.00 0.00 C ATOM 2024 CD1 ILE A 125 131.207 9.773 7.130 1.00 0.00 C ATOM 0 H ILE A 125 128.805 12.415 4.234 1.00 0.00 H new ATOM 0 HA ILE A 125 131.264 11.840 5.514 1.00 0.00 H new ATOM 0 HB ILE A 125 129.074 10.593 5.693 1.00 0.00 H new ATOM 0 HG12 ILE A 125 130.235 8.334 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 125 131.650 9.071 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 125 128.699 8.688 4.177 1.00 0.00 H new ATOM 0 HG22 ILE A 125 128.523 10.262 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 125 129.997 9.295 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 125 131.840 9.023 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 125 131.767 10.701 7.016 1.00 0.00 H new ATOM 0 HD13 ILE A 125 130.330 9.953 7.752 1.00 0.00 H new ATOM 2036 N TYR A 126 131.173 11.432 2.221 1.00 0.00 N ATOM 2037 CA TYR A 126 132.051 11.234 1.079 1.00 0.00 C ATOM 2038 C TYR A 126 132.861 12.481 0.809 1.00 0.00 C ATOM 2039 O TYR A 126 134.022 12.398 0.424 1.00 0.00 O ATOM 2040 CB TYR A 126 131.302 10.791 -0.173 1.00 0.00 C ATOM 2041 CG TYR A 126 132.218 10.488 -1.346 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.133 9.453 -1.268 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.171 11.233 -2.518 1.00 0.00 C ATOM 2044 CE1 TYR A 126 133.980 9.157 -2.302 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.019 10.943 -3.572 1.00 0.00 C ATOM 2046 CZ TYR A 126 133.924 9.904 -3.455 1.00 0.00 C ATOM 2047 OH TYR A 126 134.770 9.609 -4.500 1.00 0.00 O ATOM 0 H TYR A 126 130.201 11.638 1.992 1.00 0.00 H new ATOM 0 HA TYR A 126 132.729 10.421 1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.714 9.903 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.599 11.572 -0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.180 8.862 -0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.466 12.046 -2.607 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.686 8.344 -2.213 1.00 0.00 H new ATOM 0 HE2 TYR A 126 132.974 11.525 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 126 135.447 8.967 -4.201 1.00 0.00 H new ATOM 2057 N LEU A 127 132.266 13.636 1.050 1.00 0.00 N ATOM 2058 CA LEU A 127 132.974 14.892 0.889 1.00 0.00 C ATOM 2059 C LEU A 127 134.118 14.971 1.903 1.00 0.00 C ATOM 2060 O LEU A 127 135.149 15.585 1.648 1.00 0.00 O ATOM 2061 CB LEU A 127 132.020 16.089 1.003 1.00 0.00 C ATOM 2062 CG LEU A 127 130.885 16.146 -0.034 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.069 17.415 0.118 1.00 0.00 C ATOM 2064 CD2 LEU A 127 131.411 15.986 -1.459 1.00 0.00 C ATOM 0 H LEU A 127 131.298 13.729 1.357 1.00 0.00 H new ATOM 0 HA LEU A 127 133.402 14.933 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.576 16.081 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 127 132.606 17.005 0.922 1.00 0.00 H new ATOM 0 HG LEU A 127 130.224 15.301 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.274 17.428 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.631 17.449 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 127 130.714 18.282 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 127 130.579 16.032 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.116 16.788 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 127 131.914 15.024 -1.555 1.00 0.00 H new ATOM 2076 N ASP A 128 133.933 14.302 3.037 1.00 0.00 N ATOM 2077 CA ASP A 128 134.981 14.144 4.053 1.00 0.00 C ATOM 2078 C ASP A 128 136.138 13.332 3.495 1.00 0.00 C ATOM 2079 O ASP A 128 137.307 13.659 3.717 1.00 0.00 O ATOM 2080 CB ASP A 128 134.427 13.448 5.304 1.00 0.00 C ATOM 2081 CG ASP A 128 135.509 13.023 6.280 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.924 13.837 7.137 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.958 11.862 6.218 1.00 0.00 O ATOM 0 H ASP A 128 133.052 13.851 3.283 1.00 0.00 H new ATOM 0 HA ASP A 128 135.335 15.137 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.734 14.121 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 128 133.855 12.571 5.001 1.00 0.00 H new ATOM 2088 N LEU A 129 135.810 12.277 2.761 1.00 0.00 N ATOM 2089 CA LEU A 129 136.836 11.435 2.133 1.00 0.00 C ATOM 2090 C LEU A 129 137.532 12.211 0.997 1.00 0.00 C ATOM 2091 O LEU A 129 138.672 11.926 0.644 1.00 0.00 O ATOM 2092 CB LEU A 129 136.216 10.140 1.560 1.00 0.00 C ATOM 2093 CG LEU A 129 135.257 9.369 2.484 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.408 8.422 1.687 1.00 0.00 C ATOM 2095 CD2 LEU A 129 136.018 8.581 3.531 1.00 0.00 C ATOM 0 H LEU A 129 134.851 11.980 2.583 1.00 0.00 H new ATOM 0 HA LEU A 129 137.565 11.166 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.678 10.395 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.028 9.470 1.276 1.00 0.00 H new ATOM 0 HG LEU A 129 134.624 10.104 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.736 7.885 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 129 133.823 8.983 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.048 7.709 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.313 8.047 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.677 7.865 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.612 9.263 4.139 1.00 0.00 H new ATOM 2107 N MET A 130 136.828 13.193 0.436 1.00 0.00 N ATOM 2108 CA MET A 130 137.352 13.990 -0.674 1.00 0.00 C ATOM 2109 C MET A 130 138.048 15.257 -0.194 1.00 0.00 C ATOM 2110 O MET A 130 139.261 15.280 0.027 1.00 0.00 O ATOM 2111 CB MET A 130 136.237 14.387 -1.665 1.00 0.00 C ATOM 2112 CG MET A 130 135.511 13.263 -2.404 1.00 0.00 C ATOM 2113 SD MET A 130 136.552 12.316 -3.544 1.00 0.00 S ATOM 2114 CE MET A 130 137.488 11.287 -2.420 1.00 0.00 C ATOM 0 H MET A 130 135.889 13.457 0.733 1.00 0.00 H new ATOM 0 HA MET A 130 138.080 13.354 -1.178 1.00 0.00 H new ATOM 0 HB2 MET A 130 135.492 14.965 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 130 136.672 15.053 -2.411 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.084 12.580 -1.670 1.00 0.00 H new ATOM 0 HG3 MET A 130 134.679 13.691 -2.963 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.524 11.625 -2.394 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.059 11.356 -1.420 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.453 10.252 -2.759 1.00 0.00 H new ATOM 2124 N GLU A 131 137.248 16.282 0.038 1.00 0.00 N ATOM 2125 CA GLU A 131 137.712 17.607 0.379 1.00 0.00 C ATOM 2126 C GLU A 131 138.235 17.644 1.801 1.00 0.00 C ATOM 2127 O GLU A 131 139.150 18.398 2.113 1.00 0.00 O ATOM 2128 CB GLU A 131 136.570 18.591 0.196 1.00 0.00 C ATOM 2129 CG GLU A 131 136.929 20.038 0.434 1.00 0.00 C ATOM 2130 CD GLU A 131 135.762 20.937 0.200 1.00 0.00 C ATOM 2131 OE1 GLU A 131 135.564 21.383 -0.951 1.00 0.00 O ATOM 2132 OE2 GLU A 131 134.993 21.192 1.152 1.00 0.00 O ATOM 0 H GLU A 131 136.232 16.210 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 131 138.536 17.884 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 131 136.183 18.491 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 131 135.762 18.317 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 131 137.286 20.162 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 131 137.748 20.324 -0.226 1.00 0.00 H new ATOM 2139 N GLY A 132 137.658 16.819 2.656 1.00 0.00 N ATOM 2140 CA GLY A 132 138.130 16.724 4.022 1.00 0.00 C ATOM 2141 C GLY A 132 139.539 16.171 4.059 1.00 0.00 C ATOM 2142 O GLY A 132 140.338 16.530 4.930 1.00 0.00 O ATOM 0 H GLY A 132 136.870 16.212 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 132 138.107 17.708 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 132 137.465 16.081 4.599 1.00 0.00 H new ATOM 2146 N ARG A 133 139.831 15.323 3.071 1.00 0.00 N ATOM 2147 CA ARG A 133 141.126 14.674 2.869 1.00 0.00 C ATOM 2148 C ARG A 133 141.590 13.890 4.095 1.00 0.00 C ATOM 2149 O ARG A 133 142.146 14.461 5.057 1.00 0.00 O ATOM 2150 CB ARG A 133 142.213 15.660 2.414 1.00 0.00 C ATOM 2151 CG ARG A 133 143.558 14.990 2.174 1.00 0.00 C ATOM 2152 CD ARG A 133 144.644 15.978 1.816 1.00 0.00 C ATOM 2153 NE ARG A 133 145.920 15.285 1.618 1.00 0.00 N ATOM 2154 CZ ARG A 133 147.114 15.855 1.451 1.00 0.00 C ATOM 2155 NH1 ARG A 133 147.245 17.178 1.397 1.00 0.00 N ATOM 2156 NH2 ARG A 133 148.179 15.077 1.319 1.00 0.00 N ATOM 0 H ARG A 133 139.145 15.060 2.363 1.00 0.00 H new ATOM 0 HA ARG A 133 140.969 13.958 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 133 141.889 16.152 1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 133 142.330 16.438 3.169 1.00 0.00 H new ATOM 0 HG2 ARG A 133 143.851 14.442 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 133 143.458 14.259 1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 133 144.370 16.516 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 133 144.745 16.720 2.608 1.00 0.00 H new ATOM 0 HE ARG A 133 145.892 14.265 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 133 146.423 17.776 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 133 148.167 17.594 1.269 1.00 0.00 H new ATOM 0 HH21 ARG A 133 148.076 14.063 1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 133 149.101 15.493 1.190 1.00 0.00 H new ATOM 2170 N PRO A 134 141.371 12.582 4.099 1.00 0.00 N ATOM 2171 CA PRO A 134 141.810 11.732 5.170 1.00 0.00 C ATOM 2172 C PRO A 134 143.315 11.465 5.097 1.00 0.00 C ATOM 2173 O PRO A 134 143.759 10.407 4.654 1.00 0.00 O ATOM 2174 CB PRO A 134 141.004 10.428 4.994 1.00 0.00 C ATOM 2175 CG PRO A 134 140.075 10.683 3.851 1.00 0.00 C ATOM 2176 CD PRO A 134 140.669 11.818 3.071 1.00 0.00 C ATOM 0 HA PRO A 134 141.643 12.191 6.144 1.00 0.00 H new ATOM 0 HB2 PRO A 134 141.662 9.585 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 134 140.452 10.183 5.901 1.00 0.00 H new ATOM 0 HG2 PRO A 134 139.972 9.795 3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 134 139.078 10.938 4.210 1.00 0.00 H new ATOM 0 HD2 PRO A 134 141.348 11.464 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 134 139.902 12.414 2.576 1.00 0.00 H new TER 2184 PRO A 134