USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 870 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 67 HIS : no HD1:sc= -0.0527 K(o=5.3,f=3.8) USER MOD Set 1.2: A 71 CYS SG : rot 110:sc= 0.612 USER MOD Set 1.3: A 76 CYS SG : rot 134:sc= 0.763 USER MOD Set 1.4: A 81 CYS SG : rot -160:sc= 1.06 USER MOD Set 1.5: A 85 LYS NZ :NH3+ -174:sc= 2.88 (180deg=0.983) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -116:sc= 0.741 (180deg=-1.14) USER MOD Set 2.2: A 70 HIS : no HE2:sc= 0.0472 K(o=0.79,f=-0.83) USER MOD Set 3.1: A 42 HIS : no HE2:sc= -2.38 X(o=5.5,f=5.2) USER MOD Set 3.2: A 43 THR OG1 : rot -48:sc= 1.36 USER MOD Set 3.3: A 46 CYS SG : rot 162:sc= 3.13 USER MOD Set 3.4: A 49 LYS NZ :NH3+ 146:sc= 0.0851 (180deg=-2.33!) USER MOD Set 3.5: A 54 CYS SG : rot -156:sc= 1.56 USER MOD Set 3.6: A 57 CYS SG : rot 135:sc= 1.79! USER MOD Set 4.1: A 16 SER OG : rot 75:sc= 1.08 USER MOD Set 4.2: A 32 SER OG : rot 162:sc= 0.603 USER MOD Set 5.1: A 19 HIS : no HD1:sc= -1.07 X(o=6.6,f=6.3) USER MOD Set 5.2: A 23 CYS SG : rot 38:sc= 0.805 USER MOD Set 5.3: A 25 ASN : amide:sc= 1.3 K(o=6.6,f=3.9) USER MOD Set 5.4: A 28 CYS SG : rot 132:sc= 2.41 USER MOD Set 5.5: A 33 CYS SG : rot -173:sc= 0.183 USER MOD Set 5.6: A 37 LYS NZ :NH3+ 161:sc= 2.93 (180deg=1.03) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 86:sc= 1.2 USER MOD Single : A 11 GLN : amide:sc= -0.0511 X(o=-0.051,f=-0.54) USER MOD Single : A 13 CYS SG : rot 73:sc= 0.00136 USER MOD Single : A 15 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.09) USER MOD Single : A 21 CYS SG : rot 79:sc= 0.255 USER MOD Single : A 22 GLN : amide:sc= 0.931 K(o=0.93,f=0) USER MOD Single : A 27 ASN : amide:sc= 0.992 K(o=0.99,f=-7.3!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.05 K(o=1,f=-0.48) USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.104 (180deg=0) USER MOD Single : A 36 MET CE :methyl 178:sc= -0.23 (180deg=-0.235) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= 0.967 (180deg=0.764) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.978 K(o=0.98,f=-1.3) USER MOD Single : A 64 CYS SG : rot 80:sc= 0.284 USER MOD Single : A 65 CYS SG : rot 145:sc= -0.327 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 1.15 (180deg=1) USER MOD Single : A 83 ASN : amide:sc= 0.813 K(o=0.81,f=0) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= 0.595 (180deg=-0.664) USER MOD Single : B 722 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.13) USER MOD Single : B 726 MET CE :methyl 176:sc= 0 (180deg=-0.0286) USER MOD Single : B 727 SER OG : rot 180:sc= 0 USER MOD Single : B 735 SER OG : rot 180:sc= 0 USER MOD Single : B 740 SER OG : rot 180:sc= 0 USER MOD Single : B 745 SER OG : rot -40:sc= 0.007 USER MOD Single : B 746 MET CE :methyl -115:sc= -3.51 (180deg=-7.42!) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 50.861 -12.957 27.997 1.00 0.00 N ATOM 44 CA GLU A 4 50.360 -14.309 27.712 1.00 0.00 C ATOM 45 C GLU A 4 48.845 -14.339 27.468 1.00 0.00 C ATOM 46 O GLU A 4 48.386 -15.176 26.697 1.00 0.00 O ATOM 47 CB GLU A 4 50.693 -15.265 28.869 1.00 0.00 C ATOM 48 CG GLU A 4 52.116 -15.825 28.793 1.00 0.00 C ATOM 49 CD GLU A 4 52.399 -16.882 29.882 1.00 0.00 C ATOM 50 OE1 GLU A 4 51.895 -16.754 31.024 1.00 0.00 O ATOM 51 OE2 GLU A 4 53.148 -17.851 29.601 1.00 0.00 O ATOM 0 HA GLU A 4 50.859 -14.632 26.798 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.566 -14.739 29.815 1.00 0.00 H new ATOM 0 HB3 GLU A 4 49.983 -16.092 28.866 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.275 -16.270 27.811 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.830 -15.007 28.892 1.00 0.00 H new ATOM 58 N SER A 5 48.064 -13.433 28.069 1.00 0.00 N ATOM 59 CA SER A 5 46.602 -13.364 27.883 1.00 0.00 C ATOM 60 C SER A 5 46.190 -13.363 26.405 1.00 0.00 C ATOM 61 O SER A 5 45.305 -14.121 25.999 1.00 0.00 O ATOM 62 CB SER A 5 46.024 -12.136 28.600 1.00 0.00 C ATOM 63 OG SER A 5 46.576 -10.924 28.108 1.00 0.00 O ATOM 0 H SER A 5 48.427 -12.721 28.703 1.00 0.00 H new ATOM 0 HA SER A 5 46.187 -14.269 28.327 1.00 0.00 H new ATOM 0 HB2 SER A 5 44.941 -12.119 28.474 1.00 0.00 H new ATOM 0 HB3 SER A 5 46.219 -12.215 29.669 1.00 0.00 H new ATOM 0 HG SER A 5 46.182 -10.166 28.588 1.00 0.00 H new ATOM 69 N ARG A 6 46.878 -12.559 25.582 1.00 0.00 N ATOM 70 CA ARG A 6 46.676 -12.473 24.126 1.00 0.00 C ATOM 71 C ARG A 6 47.054 -13.788 23.440 1.00 0.00 C ATOM 72 O ARG A 6 46.243 -14.355 22.713 1.00 0.00 O ATOM 73 CB ARG A 6 47.508 -11.309 23.552 1.00 0.00 C ATOM 74 CG ARG A 6 47.069 -9.926 24.066 1.00 0.00 C ATOM 75 CD ARG A 6 48.031 -8.856 23.537 1.00 0.00 C ATOM 76 NE ARG A 6 47.643 -7.498 23.956 1.00 0.00 N ATOM 77 CZ ARG A 6 48.350 -6.396 23.784 1.00 0.00 C ATOM 78 NH1 ARG A 6 49.547 -6.408 23.267 1.00 0.00 N ATOM 79 NH2 ARG A 6 47.851 -5.248 24.129 1.00 0.00 N ATOM 0 H ARG A 6 47.610 -11.933 25.918 1.00 0.00 H new ATOM 0 HA ARG A 6 45.619 -12.287 23.934 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.557 -11.465 23.803 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.435 -11.323 22.465 1.00 0.00 H new ATOM 0 HG2 ARG A 6 46.052 -9.710 23.738 1.00 0.00 H new ATOM 0 HG3 ARG A 6 47.061 -9.917 25.156 1.00 0.00 H new ATOM 0 HD2 ARG A 6 49.039 -9.069 23.893 1.00 0.00 H new ATOM 0 HD3 ARG A 6 48.060 -8.903 22.448 1.00 0.00 H new ATOM 0 HE ARG A 6 46.742 -7.400 24.424 1.00 0.00 H new ATOM 0 HH11 ARG A 6 49.969 -7.291 22.979 1.00 0.00 H new ATOM 0 HH12 ARG A 6 50.061 -5.535 23.151 1.00 0.00 H new ATOM 0 HH21 ARG A 6 46.915 -5.199 24.532 1.00 0.00 H new ATOM 0 HH22 ARG A 6 48.395 -4.395 23.997 1.00 0.00 H new ATOM 93 N ARG A 7 48.267 -14.295 23.700 1.00 0.00 N ATOM 94 CA ARG A 7 48.823 -15.545 23.133 1.00 0.00 C ATOM 95 C ARG A 7 47.923 -16.753 23.372 1.00 0.00 C ATOM 96 O ARG A 7 47.585 -17.486 22.445 1.00 0.00 O ATOM 97 CB ARG A 7 50.221 -15.806 23.719 1.00 0.00 C ATOM 98 CG ARG A 7 51.184 -14.652 23.421 1.00 0.00 C ATOM 99 CD ARG A 7 52.574 -14.944 23.979 1.00 0.00 C ATOM 100 NE ARG A 7 53.471 -13.840 23.611 1.00 0.00 N ATOM 101 CZ ARG A 7 54.726 -13.636 23.933 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.409 -14.444 24.694 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.296 -12.570 23.460 1.00 0.00 N ATOM 0 H ARG A 7 48.918 -13.833 24.335 1.00 0.00 H new ATOM 0 HA ARG A 7 48.889 -15.407 22.054 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.143 -15.946 24.797 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.622 -16.731 23.305 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.246 -14.494 22.344 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.799 -13.730 23.857 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.531 -15.051 25.063 1.00 0.00 H new ATOM 0 HD3 ARG A 7 52.951 -15.886 23.581 1.00 0.00 H new ATOM 0 HE ARG A 7 53.055 -13.124 23.015 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.969 -15.284 25.071 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.383 -14.237 24.913 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.769 -11.932 22.864 1.00 0.00 H new ATOM 0 HH22 ARG A 7 56.271 -12.371 23.684 1.00 0.00 H new ATOM 117 N LEU A 8 47.515 -16.939 24.624 1.00 0.00 N ATOM 118 CA LEU A 8 46.636 -18.023 25.059 1.00 0.00 C ATOM 119 C LEU A 8 45.235 -17.891 24.432 1.00 0.00 C ATOM 120 O LEU A 8 44.653 -18.897 24.030 1.00 0.00 O ATOM 121 CB LEU A 8 46.623 -18.052 26.601 1.00 0.00 C ATOM 122 CG LEU A 8 48.014 -18.329 27.223 1.00 0.00 C ATOM 123 CD1 LEU A 8 47.981 -18.124 28.736 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.535 -19.737 26.938 1.00 0.00 C ATOM 0 H LEU A 8 47.794 -16.322 25.387 1.00 0.00 H new ATOM 0 HA LEU A 8 47.012 -18.984 24.708 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.251 -17.097 26.972 1.00 0.00 H new ATOM 0 HB3 LEU A 8 45.924 -18.818 26.937 1.00 0.00 H new ATOM 0 HG LEU A 8 48.692 -17.617 26.752 1.00 0.00 H new ATOM 0 HD11 LEU A 8 48.968 -18.324 29.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.695 -17.096 28.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.256 -18.806 29.180 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.513 -19.864 27.402 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.841 -20.471 27.347 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.623 -19.881 25.861 1.00 0.00 H new ATOM 136 N SER A 9 44.719 -16.667 24.262 1.00 0.00 N ATOM 137 CA SER A 9 43.438 -16.431 23.572 1.00 0.00 C ATOM 138 C SER A 9 43.536 -16.768 22.075 1.00 0.00 C ATOM 139 O SER A 9 42.637 -17.416 21.537 1.00 0.00 O ATOM 140 CB SER A 9 42.952 -14.989 23.751 1.00 0.00 C ATOM 141 OG SER A 9 42.752 -14.688 25.123 1.00 0.00 O ATOM 0 H SER A 9 45.172 -15.816 24.595 1.00 0.00 H new ATOM 0 HA SER A 9 42.708 -17.097 24.033 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.682 -14.300 23.326 1.00 0.00 H new ATOM 0 HB3 SER A 9 42.021 -14.844 23.203 1.00 0.00 H new ATOM 0 HG SER A 9 43.598 -14.393 25.520 1.00 0.00 H new ATOM 147 N ILE A 10 44.644 -16.412 21.407 1.00 0.00 N ATOM 148 CA ILE A 10 44.899 -16.754 19.994 1.00 0.00 C ATOM 149 C ILE A 10 44.867 -18.281 19.805 1.00 0.00 C ATOM 150 O ILE A 10 44.255 -18.766 18.854 1.00 0.00 O ATOM 151 CB ILE A 10 46.229 -16.130 19.502 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.156 -14.587 19.471 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.603 -16.621 18.091 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.531 -13.929 19.635 1.00 0.00 C ATOM 0 H ILE A 10 45.397 -15.873 21.834 1.00 0.00 H new ATOM 0 HA ILE A 10 44.107 -16.328 19.378 1.00 0.00 H new ATOM 0 HB ILE A 10 46.991 -16.449 20.213 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.714 -14.267 18.528 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.495 -14.242 20.266 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.541 -16.160 17.782 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.717 -17.705 18.101 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.816 -16.346 17.389 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.421 -12.845 19.606 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.964 -14.224 20.591 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.187 -14.249 18.825 1.00 0.00 H new ATOM 166 N GLN A 11 45.456 -19.059 20.725 1.00 0.00 N ATOM 167 CA GLN A 11 45.404 -20.529 20.682 1.00 0.00 C ATOM 168 C GLN A 11 43.962 -21.069 20.734 1.00 0.00 C ATOM 169 O GLN A 11 43.642 -22.011 20.005 1.00 0.00 O ATOM 170 CB GLN A 11 46.267 -21.143 21.799 1.00 0.00 C ATOM 171 CG GLN A 11 47.776 -20.932 21.597 1.00 0.00 C ATOM 172 CD GLN A 11 48.363 -21.690 20.404 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.751 -22.544 19.776 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.594 -21.404 20.049 1.00 0.00 N ATOM 0 H GLN A 11 45.980 -18.689 21.518 1.00 0.00 H new ATOM 0 HA GLN A 11 45.818 -20.833 19.721 1.00 0.00 H new ATOM 0 HB2 GLN A 11 45.973 -20.709 22.754 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.063 -22.212 21.858 1.00 0.00 H new ATOM 0 HG2 GLN A 11 47.968 -19.867 21.466 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.299 -21.241 22.502 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.121 -20.695 20.560 1.00 0.00 H new ATOM 0 HE22 GLN A 11 50.024 -21.890 19.262 1.00 0.00 H new ATOM 183 N ARG A 12 43.055 -20.458 21.517 1.00 0.00 N ATOM 184 CA ARG A 12 41.625 -20.844 21.530 1.00 0.00 C ATOM 185 C ARG A 12 40.972 -20.572 20.171 1.00 0.00 C ATOM 186 O ARG A 12 40.206 -21.405 19.683 1.00 0.00 O ATOM 187 CB ARG A 12 40.848 -20.133 22.657 1.00 0.00 C ATOM 188 CG ARG A 12 41.356 -20.410 24.085 1.00 0.00 C ATOM 189 CD ARG A 12 41.525 -21.897 24.433 1.00 0.00 C ATOM 190 NE ARG A 12 40.268 -22.655 24.270 1.00 0.00 N ATOM 191 CZ ARG A 12 40.137 -23.968 24.196 1.00 0.00 C ATOM 192 NH1 ARG A 12 41.158 -24.774 24.282 1.00 0.00 N ATOM 193 NH2 ARG A 12 38.962 -24.503 24.029 1.00 0.00 N ATOM 0 H ARG A 12 43.284 -19.693 22.152 1.00 0.00 H new ATOM 0 HA ARG A 12 41.583 -21.915 21.727 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.884 -19.058 22.479 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.801 -20.431 22.598 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.315 -19.909 24.218 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.662 -19.962 24.796 1.00 0.00 H new ATOM 0 HD2 ARG A 12 42.295 -22.332 23.796 1.00 0.00 H new ATOM 0 HD3 ARG A 12 41.873 -21.990 25.462 1.00 0.00 H new ATOM 0 HE ARG A 12 39.410 -22.107 24.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 42.097 -24.396 24.411 1.00 0.00 H new ATOM 0 HH12 ARG A 12 41.018 -25.783 24.221 1.00 0.00 H new ATOM 0 HH21 ARG A 12 38.137 -23.908 23.955 1.00 0.00 H new ATOM 0 HH22 ARG A 12 38.867 -25.517 23.973 1.00 0.00 H new ATOM 207 N CYS A 13 41.309 -19.454 19.525 1.00 0.00 N ATOM 208 CA CYS A 13 40.824 -19.134 18.179 1.00 0.00 C ATOM 209 C CYS A 13 41.376 -20.124 17.136 1.00 0.00 C ATOM 210 O CYS A 13 40.630 -20.564 16.264 1.00 0.00 O ATOM 211 CB CYS A 13 41.168 -17.684 17.818 1.00 0.00 C ATOM 212 SG CYS A 13 40.329 -16.552 18.963 1.00 0.00 S ATOM 0 H CYS A 13 41.926 -18.744 19.920 1.00 0.00 H new ATOM 0 HA CYS A 13 39.739 -19.235 18.172 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.246 -17.533 17.867 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.863 -17.472 16.793 1.00 0.00 H new ATOM 0 HG CYS A 13 40.911 -16.600 20.125 1.00 0.00 H new ATOM 218 N ILE A 14 42.649 -20.530 17.239 1.00 0.00 N ATOM 219 CA ILE A 14 43.256 -21.544 16.358 1.00 0.00 C ATOM 220 C ILE A 14 42.487 -22.863 16.491 1.00 0.00 C ATOM 221 O ILE A 14 42.062 -23.422 15.482 1.00 0.00 O ATOM 222 CB ILE A 14 44.765 -21.697 16.665 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.505 -20.441 16.164 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.374 -22.952 16.012 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.886 -20.230 16.779 1.00 0.00 C ATOM 0 H ILE A 14 43.293 -20.163 17.940 1.00 0.00 H new ATOM 0 HA ILE A 14 43.184 -21.224 15.318 1.00 0.00 H new ATOM 0 HB ILE A 14 44.878 -21.810 17.743 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.610 -20.505 15.081 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.891 -19.565 16.374 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.434 -23.012 16.258 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.864 -23.840 16.385 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.256 -22.893 14.930 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.332 -19.324 16.369 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.791 -20.131 17.860 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.522 -21.085 16.547 1.00 0.00 H new ATOM 237 N GLN A 15 42.237 -23.333 17.721 1.00 0.00 N ATOM 238 CA GLN A 15 41.440 -24.543 17.963 1.00 0.00 C ATOM 239 C GLN A 15 40.016 -24.411 17.391 1.00 0.00 C ATOM 240 O GLN A 15 39.506 -25.361 16.798 1.00 0.00 O ATOM 241 CB GLN A 15 41.396 -24.865 19.466 1.00 0.00 C ATOM 242 CG GLN A 15 42.742 -25.357 20.021 1.00 0.00 C ATOM 243 CD GLN A 15 43.139 -26.720 19.460 1.00 0.00 C ATOM 244 OE1 GLN A 15 44.018 -26.853 18.619 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.493 -27.784 19.889 1.00 0.00 N ATOM 0 H GLN A 15 42.580 -22.887 18.572 1.00 0.00 H new ATOM 0 HA GLN A 15 41.924 -25.369 17.442 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.089 -23.973 20.013 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.637 -25.626 19.646 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.518 -24.629 19.783 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.684 -25.417 21.108 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.758 -27.686 20.590 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.727 -28.706 19.521 1.00 0.00 H new ATOM 254 N SER A 16 39.391 -23.236 17.516 1.00 0.00 N ATOM 255 CA SER A 16 38.057 -22.961 16.959 1.00 0.00 C ATOM 256 C SER A 16 38.040 -23.036 15.426 1.00 0.00 C ATOM 257 O SER A 16 37.135 -23.642 14.853 1.00 0.00 O ATOM 258 CB SER A 16 37.552 -21.583 17.399 1.00 0.00 C ATOM 259 OG SER A 16 37.376 -21.520 18.804 1.00 0.00 O ATOM 0 H SER A 16 39.797 -22.441 18.010 1.00 0.00 H new ATOM 0 HA SER A 16 37.396 -23.736 17.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.261 -20.817 17.085 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.607 -21.365 16.902 1.00 0.00 H new ATOM 0 HG SER A 16 38.251 -21.462 19.241 1.00 0.00 H new ATOM 265 N LEU A 17 39.043 -22.464 14.742 1.00 0.00 N ATOM 266 CA LEU A 17 39.150 -22.527 13.278 1.00 0.00 C ATOM 267 C LEU A 17 39.455 -23.962 12.819 1.00 0.00 C ATOM 268 O LEU A 17 38.838 -24.443 11.870 1.00 0.00 O ATOM 269 CB LEU A 17 40.197 -21.510 12.786 1.00 0.00 C ATOM 270 CG LEU A 17 40.342 -21.418 11.251 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.035 -21.100 10.509 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.352 -20.325 10.901 1.00 0.00 C ATOM 0 H LEU A 17 39.800 -21.946 15.188 1.00 0.00 H new ATOM 0 HA LEU A 17 38.195 -22.254 12.829 1.00 0.00 H new ATOM 0 HB2 LEU A 17 39.934 -20.525 13.171 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.165 -21.772 13.213 1.00 0.00 H new ATOM 0 HG LEU A 17 40.668 -22.407 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.227 -21.054 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.302 -21.880 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.647 -20.140 10.850 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.456 -20.259 9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 17 41.003 -19.369 11.291 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.318 -20.567 11.344 1.00 0.00 H new ATOM 284 N VAL A 18 40.351 -24.675 13.513 1.00 0.00 N ATOM 285 CA VAL A 18 40.675 -26.089 13.246 1.00 0.00 C ATOM 286 C VAL A 18 39.420 -26.960 13.380 1.00 0.00 C ATOM 287 O VAL A 18 39.157 -27.788 12.504 1.00 0.00 O ATOM 288 CB VAL A 18 41.809 -26.565 14.179 1.00 0.00 C ATOM 289 CG1 VAL A 18 41.956 -28.088 14.203 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.160 -25.981 13.744 1.00 0.00 C ATOM 0 H VAL A 18 40.882 -24.282 14.290 1.00 0.00 H new ATOM 0 HA VAL A 18 41.032 -26.186 12.221 1.00 0.00 H new ATOM 0 HB VAL A 18 41.533 -26.215 15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.768 -28.365 14.875 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.027 -28.538 14.552 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.178 -28.448 13.198 1.00 0.00 H new ATOM 0 HG21 VAL A 18 43.942 -26.332 14.418 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.385 -26.303 12.727 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.114 -24.893 13.778 1.00 0.00 H new ATOM 300 N HIS A 19 38.617 -26.758 14.433 1.00 0.00 N ATOM 301 CA HIS A 19 37.332 -27.439 14.624 1.00 0.00 C ATOM 302 C HIS A 19 36.413 -27.140 13.430 1.00 0.00 C ATOM 303 O HIS A 19 35.968 -28.065 12.756 1.00 0.00 O ATOM 304 CB HIS A 19 36.694 -27.003 15.960 1.00 0.00 C ATOM 305 CG HIS A 19 35.293 -27.532 16.210 1.00 0.00 C ATOM 306 ND1 HIS A 19 34.922 -28.471 17.150 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.139 -27.131 15.585 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.586 -28.635 17.075 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.058 -27.845 16.123 1.00 0.00 N ATOM 0 H HIS A 19 38.846 -26.108 15.185 1.00 0.00 H new ATOM 0 HA HIS A 19 37.487 -28.517 14.672 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.339 -27.329 16.776 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.665 -25.914 15.992 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.074 -26.386 14.805 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.016 -29.310 17.696 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.078 -27.779 15.850 1.00 0.00 H new ATOM 317 N ALA A 20 36.170 -25.860 13.124 1.00 0.00 N ATOM 318 CA ALA A 20 35.317 -25.423 12.018 1.00 0.00 C ATOM 319 C ALA A 20 35.726 -25.982 10.642 1.00 0.00 C ATOM 320 O ALA A 20 34.859 -26.287 9.821 1.00 0.00 O ATOM 321 CB ALA A 20 35.307 -23.896 12.012 1.00 0.00 C ATOM 0 H ALA A 20 36.571 -25.084 13.651 1.00 0.00 H new ATOM 0 HA ALA A 20 34.318 -25.825 12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.678 -23.539 11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 20 34.913 -23.531 12.960 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.323 -23.526 11.875 1.00 0.00 H new ATOM 327 N CYS A 21 37.029 -26.154 10.387 1.00 0.00 N ATOM 328 CA CYS A 21 37.546 -26.732 9.142 1.00 0.00 C ATOM 329 C CYS A 21 37.137 -28.209 8.950 1.00 0.00 C ATOM 330 O CYS A 21 37.112 -28.699 7.818 1.00 0.00 O ATOM 331 CB CYS A 21 39.073 -26.570 9.118 1.00 0.00 C ATOM 332 SG CYS A 21 39.498 -24.828 8.828 1.00 0.00 S ATOM 0 H CYS A 21 37.761 -25.893 11.047 1.00 0.00 H new ATOM 0 HA CYS A 21 37.101 -26.193 8.306 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.499 -26.906 10.063 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.503 -27.195 8.335 1.00 0.00 H new ATOM 0 HG CYS A 21 39.363 -24.159 9.934 1.00 0.00 H new ATOM 338 N GLN A 22 36.777 -28.909 10.032 1.00 0.00 N ATOM 339 CA GLN A 22 36.353 -30.317 10.039 1.00 0.00 C ATOM 340 C GLN A 22 34.848 -30.476 10.323 1.00 0.00 C ATOM 341 O GLN A 22 34.224 -31.431 9.853 1.00 0.00 O ATOM 342 CB GLN A 22 37.161 -31.064 11.113 1.00 0.00 C ATOM 343 CG GLN A 22 38.675 -31.075 10.844 1.00 0.00 C ATOM 344 CD GLN A 22 39.448 -31.503 12.086 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.763 -32.667 12.296 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.776 -30.572 12.956 1.00 0.00 N ATOM 0 H GLN A 22 36.772 -28.495 10.964 1.00 0.00 H new ATOM 0 HA GLN A 22 36.538 -30.733 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 22 36.976 -30.602 12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.804 -32.092 11.176 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.897 -31.755 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.000 -30.082 10.533 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.516 -29.601 12.786 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.290 -30.822 13.801 1.00 0.00 H new ATOM 355 N CYS A 23 34.262 -29.542 11.077 1.00 0.00 N ATOM 356 CA CYS A 23 32.857 -29.508 11.458 1.00 0.00 C ATOM 357 C CYS A 23 31.947 -29.194 10.259 1.00 0.00 C ATOM 358 O CYS A 23 32.297 -28.406 9.371 1.00 0.00 O ATOM 359 CB CYS A 23 32.707 -28.490 12.592 1.00 0.00 C ATOM 360 SG CYS A 23 31.061 -28.621 13.336 1.00 0.00 S ATOM 0 H CYS A 23 34.785 -28.752 11.454 1.00 0.00 H new ATOM 0 HA CYS A 23 32.538 -30.490 11.807 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.471 -28.663 13.350 1.00 0.00 H new ATOM 0 HB3 CYS A 23 32.861 -27.482 12.208 1.00 0.00 H new ATOM 0 HG CYS A 23 30.705 -29.870 13.385 1.00 0.00 H new ATOM 365 N ARG A 24 30.769 -29.824 10.217 1.00 0.00 N ATOM 366 CA ARG A 24 29.772 -29.718 9.131 1.00 0.00 C ATOM 367 C ARG A 24 28.453 -29.059 9.552 1.00 0.00 C ATOM 368 O ARG A 24 27.638 -28.730 8.690 1.00 0.00 O ATOM 369 CB ARG A 24 29.496 -31.128 8.581 1.00 0.00 C ATOM 370 CG ARG A 24 30.708 -31.936 8.063 1.00 0.00 C ATOM 371 CD ARG A 24 31.439 -31.348 6.842 1.00 0.00 C ATOM 372 NE ARG A 24 32.349 -30.246 7.211 1.00 0.00 N ATOM 373 CZ ARG A 24 33.602 -30.042 6.850 1.00 0.00 C ATOM 374 NH1 ARG A 24 34.230 -30.797 5.995 1.00 0.00 N ATOM 375 NH2 ARG A 24 34.251 -29.043 7.371 1.00 0.00 N ATOM 0 H ARG A 24 30.466 -30.448 10.965 1.00 0.00 H new ATOM 0 HA ARG A 24 30.199 -29.065 8.369 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.015 -31.709 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.777 -31.038 7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.426 -32.038 8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.368 -32.940 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 24 32.008 -32.136 6.348 1.00 0.00 H new ATOM 0 HD3 ARG A 24 30.705 -30.985 6.122 1.00 0.00 H new ATOM 0 HE ARG A 24 31.953 -29.542 7.834 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.753 -31.591 5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.199 -30.594 5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 24 33.791 -28.433 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 24 35.220 -28.870 7.104 1.00 0.00 H new ATOM 389 N ASN A 25 28.239 -28.849 10.853 1.00 0.00 N ATOM 390 CA ASN A 25 27.044 -28.198 11.400 1.00 0.00 C ATOM 391 C ASN A 25 26.909 -26.767 10.847 1.00 0.00 C ATOM 392 O ASN A 25 27.827 -25.961 11.024 1.00 0.00 O ATOM 393 CB ASN A 25 27.147 -28.147 12.935 1.00 0.00 C ATOM 394 CG ASN A 25 27.194 -29.498 13.627 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.505 -30.443 13.262 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.003 -29.626 14.650 1.00 0.00 N ATOM 0 H ASN A 25 28.905 -29.132 11.572 1.00 0.00 H new ATOM 0 HA ASN A 25 26.165 -28.772 11.106 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.043 -27.588 13.204 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.295 -27.589 13.322 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.061 -30.515 15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.575 -28.836 14.950 1.00 0.00 H new ATOM 403 N ALA A 26 25.785 -26.429 10.206 1.00 0.00 N ATOM 404 CA ALA A 26 25.544 -25.088 9.652 1.00 0.00 C ATOM 405 C ALA A 26 25.671 -23.968 10.701 1.00 0.00 C ATOM 406 O ALA A 26 26.184 -22.883 10.417 1.00 0.00 O ATOM 407 CB ALA A 26 24.157 -25.081 8.999 1.00 0.00 C ATOM 0 H ALA A 26 25.013 -27.078 10.055 1.00 0.00 H new ATOM 0 HA ALA A 26 26.316 -24.877 8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 26 23.957 -24.095 8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.126 -25.826 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.401 -25.318 9.748 1.00 0.00 H new ATOM 413 N ASN A 27 25.222 -24.258 11.926 1.00 0.00 N ATOM 414 CA ASN A 27 25.252 -23.375 13.090 1.00 0.00 C ATOM 415 C ASN A 27 25.517 -24.203 14.366 1.00 0.00 C ATOM 416 O ASN A 27 24.632 -24.388 15.206 1.00 0.00 O ATOM 417 CB ASN A 27 23.951 -22.547 13.152 1.00 0.00 C ATOM 418 CG ASN A 27 23.824 -21.575 11.992 1.00 0.00 C ATOM 419 OD1 ASN A 27 24.455 -20.525 11.959 1.00 0.00 O ATOM 420 ND2 ASN A 27 23.022 -21.888 10.999 1.00 0.00 N ATOM 0 H ASN A 27 24.806 -25.164 12.141 1.00 0.00 H new ATOM 0 HA ASN A 27 26.071 -22.660 13.007 1.00 0.00 H new ATOM 0 HB2 ASN A 27 23.095 -23.221 13.152 1.00 0.00 H new ATOM 0 HB3 ASN A 27 23.921 -21.993 14.091 1.00 0.00 H new ATOM 0 HD21 ASN A 27 22.926 -21.258 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 27 22.496 -22.761 11.024 1.00 0.00 H new ATOM 427 N CYS A 28 26.739 -24.745 14.458 1.00 0.00 N ATOM 428 CA CYS A 28 27.260 -25.575 15.552 1.00 0.00 C ATOM 429 C CYS A 28 27.005 -24.997 16.969 1.00 0.00 C ATOM 430 O CYS A 28 26.759 -23.798 17.144 1.00 0.00 O ATOM 431 CB CYS A 28 28.762 -25.758 15.279 1.00 0.00 C ATOM 432 SG CYS A 28 29.475 -27.200 16.126 1.00 0.00 S ATOM 0 H CYS A 28 27.434 -24.607 13.724 1.00 0.00 H new ATOM 0 HA CYS A 28 26.728 -26.526 15.563 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.919 -25.861 14.205 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.294 -24.860 15.594 1.00 0.00 H new ATOM 0 HG CYS A 28 30.175 -27.897 15.281 1.00 0.00 H new ATOM 437 N SER A 29 27.092 -25.842 17.999 1.00 0.00 N ATOM 438 CA SER A 29 26.895 -25.445 19.403 1.00 0.00 C ATOM 439 C SER A 29 27.956 -24.463 19.928 1.00 0.00 C ATOM 440 O SER A 29 27.681 -23.726 20.881 1.00 0.00 O ATOM 441 CB SER A 29 26.814 -26.678 20.313 1.00 0.00 C ATOM 442 OG SER A 29 28.018 -27.430 20.283 1.00 0.00 O ATOM 0 H SER A 29 27.303 -26.833 17.885 1.00 0.00 H new ATOM 0 HA SER A 29 25.946 -24.910 19.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.606 -26.363 21.336 1.00 0.00 H new ATOM 0 HB3 SER A 29 25.982 -27.309 19.999 1.00 0.00 H new ATOM 0 HG SER A 29 27.933 -28.207 20.874 1.00 0.00 H new ATOM 448 N LEU A 30 29.142 -24.401 19.308 1.00 0.00 N ATOM 449 CA LEU A 30 30.196 -23.449 19.673 1.00 0.00 C ATOM 450 C LEU A 30 29.916 -22.061 19.055 1.00 0.00 C ATOM 451 O LEU A 30 29.635 -21.969 17.856 1.00 0.00 O ATOM 452 CB LEU A 30 31.572 -23.967 19.212 1.00 0.00 C ATOM 453 CG LEU A 30 32.188 -25.068 20.094 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.517 -25.516 19.482 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.475 -24.583 21.521 1.00 0.00 C ATOM 0 H LEU A 30 29.397 -25.015 18.534 1.00 0.00 H new ATOM 0 HA LEU A 30 30.204 -23.349 20.758 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.476 -24.349 18.196 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.264 -23.126 19.172 1.00 0.00 H new ATOM 0 HG LEU A 30 31.465 -25.883 20.141 1.00 0.00 H new ATOM 0 HD11 LEU A 30 33.959 -26.296 20.102 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.343 -25.905 18.479 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.198 -24.666 19.428 1.00 0.00 H new ATOM 0 HD21 LEU A 30 32.909 -25.397 22.102 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.175 -23.748 21.488 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.546 -24.259 21.989 1.00 0.00 H new ATOM 467 N PRO A 31 30.021 -20.965 19.833 1.00 0.00 N ATOM 468 CA PRO A 31 29.777 -19.605 19.342 1.00 0.00 C ATOM 469 C PRO A 31 30.793 -19.158 18.280 1.00 0.00 C ATOM 470 O PRO A 31 30.458 -18.368 17.395 1.00 0.00 O ATOM 471 CB PRO A 31 29.819 -18.713 20.589 1.00 0.00 C ATOM 472 CG PRO A 31 30.712 -19.491 21.559 1.00 0.00 C ATOM 473 CD PRO A 31 30.375 -20.942 21.245 1.00 0.00 C ATOM 0 HA PRO A 31 28.817 -19.543 18.829 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.232 -17.730 20.365 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.823 -18.554 21.001 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.768 -19.277 21.395 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.494 -19.241 22.597 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.225 -21.594 21.447 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.549 -21.295 21.862 1.00 0.00 H new ATOM 481 N SER A 32 32.027 -19.669 18.341 1.00 0.00 N ATOM 482 CA SER A 32 33.089 -19.368 17.378 1.00 0.00 C ATOM 483 C SER A 32 32.967 -20.193 16.093 1.00 0.00 C ATOM 484 O SER A 32 33.083 -19.614 15.022 1.00 0.00 O ATOM 485 CB SER A 32 34.459 -19.575 18.022 1.00 0.00 C ATOM 486 OG SER A 32 34.525 -20.859 18.625 1.00 0.00 O ATOM 0 H SER A 32 32.320 -20.315 19.074 1.00 0.00 H new ATOM 0 HA SER A 32 32.980 -18.322 17.092 1.00 0.00 H new ATOM 0 HB2 SER A 32 35.242 -19.477 17.270 1.00 0.00 H new ATOM 0 HB3 SER A 32 34.638 -18.803 18.771 1.00 0.00 H new ATOM 0 HG SER A 32 35.462 -21.099 18.782 1.00 0.00 H new ATOM 492 N CYS A 33 32.693 -21.502 16.155 1.00 0.00 N ATOM 493 CA CYS A 33 32.504 -22.392 14.994 1.00 0.00 C ATOM 494 C CYS A 33 31.509 -21.803 13.963 1.00 0.00 C ATOM 495 O CYS A 33 31.806 -21.703 12.766 1.00 0.00 O ATOM 496 CB CYS A 33 32.065 -23.760 15.549 1.00 0.00 C ATOM 497 SG CYS A 33 31.855 -25.033 14.264 1.00 0.00 S ATOM 0 H CYS A 33 32.593 -21.991 17.044 1.00 0.00 H new ATOM 0 HA CYS A 33 33.433 -22.503 14.434 1.00 0.00 H new ATOM 0 HB2 CYS A 33 32.805 -24.104 16.272 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.125 -23.640 16.087 1.00 0.00 H new ATOM 0 HG CYS A 33 31.340 -26.103 14.793 1.00 0.00 H new ATOM 502 N GLN A 34 30.365 -21.301 14.453 1.00 0.00 N ATOM 503 CA GLN A 34 29.338 -20.596 13.668 1.00 0.00 C ATOM 504 C GLN A 34 29.911 -19.427 12.845 1.00 0.00 C ATOM 505 O GLN A 34 29.480 -19.174 11.718 1.00 0.00 O ATOM 506 CB GLN A 34 28.314 -19.985 14.637 1.00 0.00 C ATOM 507 CG GLN A 34 27.439 -20.972 15.418 1.00 0.00 C ATOM 508 CD GLN A 34 26.692 -20.286 16.565 1.00 0.00 C ATOM 509 OE1 GLN A 34 26.549 -19.068 16.627 1.00 0.00 O ATOM 510 NE2 GLN A 34 26.201 -21.036 17.525 1.00 0.00 N ATOM 0 H GLN A 34 30.120 -21.377 15.440 1.00 0.00 H new ATOM 0 HA GLN A 34 28.903 -21.328 12.988 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.851 -19.364 15.354 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.659 -19.324 14.069 1.00 0.00 H new ATOM 0 HG2 GLN A 34 26.720 -21.434 14.741 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.062 -21.773 15.817 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.312 -22.049 17.488 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.709 -20.605 18.308 1.00 0.00 H new ATOM 519 N LYS A 35 30.876 -18.702 13.423 1.00 0.00 N ATOM 520 CA LYS A 35 31.545 -17.534 12.843 1.00 0.00 C ATOM 521 C LYS A 35 32.699 -17.956 11.935 1.00 0.00 C ATOM 522 O LYS A 35 32.789 -17.477 10.813 1.00 0.00 O ATOM 523 CB LYS A 35 31.998 -16.652 14.022 1.00 0.00 C ATOM 524 CG LYS A 35 32.492 -15.256 13.633 1.00 0.00 C ATOM 525 CD LYS A 35 32.752 -14.445 14.914 1.00 0.00 C ATOM 526 CE LYS A 35 33.188 -13.024 14.544 1.00 0.00 C ATOM 527 NZ LYS A 35 33.223 -12.115 15.717 1.00 0.00 N ATOM 0 H LYS A 35 31.228 -18.926 14.354 1.00 0.00 H new ATOM 0 HA LYS A 35 30.872 -16.966 12.200 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.166 -16.546 14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.796 -17.168 14.556 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.405 -15.330 13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.750 -14.753 13.012 1.00 0.00 H new ATOM 0 HD2 LYS A 35 31.850 -14.412 15.525 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.524 -14.929 15.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.177 -13.059 14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.504 -12.621 13.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.422 -11.453 15.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.157 -12.674 16.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.115 -11.580 15.715 1.00 0.00 H new ATOM 541 N MET A 36 33.534 -18.899 12.367 1.00 0.00 N ATOM 542 CA MET A 36 34.663 -19.444 11.604 1.00 0.00 C ATOM 543 C MET A 36 34.236 -19.998 10.238 1.00 0.00 C ATOM 544 O MET A 36 34.915 -19.761 9.237 1.00 0.00 O ATOM 545 CB MET A 36 35.364 -20.530 12.430 1.00 0.00 C ATOM 546 CG MET A 36 36.099 -19.990 13.660 1.00 0.00 C ATOM 547 SD MET A 36 37.437 -18.834 13.255 1.00 0.00 S ATOM 548 CE MET A 36 38.299 -18.789 14.842 1.00 0.00 C ATOM 0 H MET A 36 33.443 -19.322 13.291 1.00 0.00 H new ATOM 0 HA MET A 36 35.356 -18.626 11.407 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.624 -21.263 12.752 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.076 -21.055 11.794 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.382 -19.490 14.311 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.511 -20.827 14.224 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.177 -18.148 14.761 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.631 -18.395 15.608 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.610 -19.797 15.116 1.00 0.00 H new ATOM 558 N LYS A 37 33.087 -20.682 10.170 1.00 0.00 N ATOM 559 CA LYS A 37 32.524 -21.176 8.902 1.00 0.00 C ATOM 560 C LYS A 37 32.146 -20.017 7.976 1.00 0.00 C ATOM 561 O LYS A 37 32.517 -20.034 6.806 1.00 0.00 O ATOM 562 CB LYS A 37 31.326 -22.093 9.190 1.00 0.00 C ATOM 563 CG LYS A 37 31.817 -23.454 9.705 1.00 0.00 C ATOM 564 CD LYS A 37 30.687 -24.257 10.344 1.00 0.00 C ATOM 565 CE LYS A 37 31.243 -25.609 10.792 1.00 0.00 C ATOM 566 NZ LYS A 37 30.477 -26.130 11.931 1.00 0.00 N ATOM 0 H LYS A 37 32.521 -20.909 10.988 1.00 0.00 H new ATOM 0 HA LYS A 37 33.283 -21.759 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.672 -21.630 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.736 -22.229 8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.246 -24.022 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.613 -23.302 10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.274 -23.717 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 37 29.874 -24.399 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.202 -26.317 9.965 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.292 -25.503 11.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.639 -27.154 12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.785 -25.654 12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.464 -25.952 11.779 1.00 0.00 H new ATOM 580 N ARG A 38 31.488 -18.971 8.496 1.00 0.00 N ATOM 581 CA ARG A 38 31.139 -17.757 7.726 1.00 0.00 C ATOM 582 C ARG A 38 32.400 -17.036 7.234 1.00 0.00 C ATOM 583 O ARG A 38 32.458 -16.603 6.087 1.00 0.00 O ATOM 584 CB ARG A 38 30.255 -16.826 8.578 1.00 0.00 C ATOM 585 CG ARG A 38 28.846 -17.399 8.810 1.00 0.00 C ATOM 586 CD ARG A 38 28.096 -16.582 9.872 1.00 0.00 C ATOM 587 NE ARG A 38 26.656 -16.914 9.921 1.00 0.00 N ATOM 588 CZ ARG A 38 26.076 -17.947 10.507 1.00 0.00 C ATOM 589 NH1 ARG A 38 26.728 -18.894 11.114 1.00 0.00 N ATOM 590 NH2 ARG A 38 24.783 -18.071 10.508 1.00 0.00 N ATOM 0 H ARG A 38 31.179 -18.938 9.468 1.00 0.00 H new ATOM 0 HA ARG A 38 30.571 -18.054 6.844 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.737 -16.654 9.541 1.00 0.00 H new ATOM 0 HB3 ARG A 38 30.173 -15.857 8.085 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.286 -17.390 7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 38 28.919 -18.439 9.128 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.542 -16.764 10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 38 28.215 -15.519 9.661 1.00 0.00 H new ATOM 0 HE ARG A 38 26.032 -16.264 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 38 27.747 -18.865 11.157 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.221 -19.666 11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.203 -17.366 10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 38 24.348 -18.873 10.964 1.00 0.00 H new ATOM 604 N VAL A 39 33.423 -16.950 8.087 1.00 0.00 N ATOM 605 CA VAL A 39 34.732 -16.339 7.803 1.00 0.00 C ATOM 606 C VAL A 39 35.467 -17.057 6.666 1.00 0.00 C ATOM 607 O VAL A 39 35.843 -16.407 5.689 1.00 0.00 O ATOM 608 CB VAL A 39 35.581 -16.327 9.091 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.027 -15.910 8.869 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.050 -15.319 10.103 1.00 0.00 C ATOM 0 H VAL A 39 33.364 -17.319 9.036 1.00 0.00 H new ATOM 0 HA VAL A 39 34.567 -15.315 7.469 1.00 0.00 H new ATOM 0 HB VAL A 39 35.524 -17.357 9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.560 -15.926 9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.503 -16.602 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.055 -14.903 8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 39 35.673 -15.339 10.997 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.072 -14.320 9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.025 -15.576 10.369 1.00 0.00 H new ATOM 620 N VAL A 40 35.662 -18.383 6.746 1.00 0.00 N ATOM 621 CA VAL A 40 36.348 -19.123 5.669 1.00 0.00 C ATOM 622 C VAL A 40 35.539 -19.053 4.365 1.00 0.00 C ATOM 623 O VAL A 40 36.113 -18.783 3.313 1.00 0.00 O ATOM 624 CB VAL A 40 36.736 -20.558 6.084 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.592 -21.575 6.047 1.00 0.00 C ATOM 626 CG2 VAL A 40 37.871 -21.064 5.187 1.00 0.00 C ATOM 0 H VAL A 40 35.360 -18.960 7.532 1.00 0.00 H new ATOM 0 HA VAL A 40 37.301 -18.630 5.476 1.00 0.00 H new ATOM 0 HB VAL A 40 37.042 -20.481 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 40 35.964 -22.552 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 40 34.801 -21.257 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.196 -21.640 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.143 -22.077 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.541 -21.065 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.737 -20.410 5.292 1.00 0.00 H new ATOM 636 N GLN A 41 34.207 -19.219 4.423 1.00 0.00 N ATOM 637 CA GLN A 41 33.298 -19.087 3.273 1.00 0.00 C ATOM 638 C GLN A 41 33.415 -17.709 2.603 1.00 0.00 C ATOM 639 O GLN A 41 33.463 -17.642 1.373 1.00 0.00 O ATOM 640 CB GLN A 41 31.842 -19.310 3.710 1.00 0.00 C ATOM 641 CG GLN A 41 31.480 -20.777 3.991 1.00 0.00 C ATOM 642 CD GLN A 41 31.294 -21.570 2.700 1.00 0.00 C ATOM 643 OE1 GLN A 41 30.270 -21.505 2.032 1.00 0.00 O ATOM 644 NE2 GLN A 41 32.278 -22.343 2.296 1.00 0.00 N ATOM 0 H GLN A 41 33.722 -19.454 5.289 1.00 0.00 H new ATOM 0 HA GLN A 41 33.590 -19.848 2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.651 -18.723 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.180 -18.928 2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.265 -21.237 4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.563 -20.819 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.136 -22.405 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.183 -22.880 1.434 1.00 0.00 H new ATOM 653 N HIS A 42 33.499 -16.624 3.385 1.00 0.00 N ATOM 654 CA HIS A 42 33.710 -15.277 2.844 1.00 0.00 C ATOM 655 C HIS A 42 35.007 -15.246 2.025 1.00 0.00 C ATOM 656 O HIS A 42 34.984 -14.924 0.837 1.00 0.00 O ATOM 657 CB HIS A 42 33.729 -14.210 3.967 1.00 0.00 C ATOM 658 CG HIS A 42 34.411 -12.924 3.539 1.00 0.00 C ATOM 659 ND1 HIS A 42 33.855 -11.916 2.781 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.769 -12.719 3.533 1.00 0.00 C ATOM 661 CE1 HIS A 42 34.859 -11.167 2.285 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.048 -11.643 2.688 1.00 0.00 N ATOM 0 H HIS A 42 33.423 -16.656 4.402 1.00 0.00 H new ATOM 0 HA HIS A 42 32.874 -15.032 2.188 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.706 -13.990 4.272 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.241 -14.615 4.840 1.00 0.00 H new ATOM 0 HD1 HIS A 42 32.859 -11.764 2.623 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.497 -13.292 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 42 34.726 -10.303 1.651 1.00 0.00 H new ATOM 670 N THR A 43 36.136 -15.610 2.641 1.00 0.00 N ATOM 671 CA THR A 43 37.453 -15.569 1.992 1.00 0.00 C ATOM 672 C THR A 43 37.515 -16.435 0.737 1.00 0.00 C ATOM 673 O THR A 43 38.074 -16.001 -0.275 1.00 0.00 O ATOM 674 CB THR A 43 38.543 -15.953 2.999 1.00 0.00 C ATOM 675 OG1 THR A 43 38.720 -14.895 3.904 1.00 0.00 O ATOM 676 CG2 THR A 43 39.888 -16.260 2.349 1.00 0.00 C ATOM 0 H THR A 43 36.164 -15.942 3.605 1.00 0.00 H new ATOM 0 HA THR A 43 37.628 -14.546 1.658 1.00 0.00 H new ATOM 0 HB THR A 43 38.206 -16.863 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.802 -14.052 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.613 -16.524 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.775 -17.094 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.239 -15.382 1.807 1.00 0.00 H new ATOM 684 N LYS A 44 36.887 -17.618 0.786 1.00 0.00 N ATOM 685 CA LYS A 44 36.757 -18.592 -0.313 1.00 0.00 C ATOM 686 C LYS A 44 36.036 -18.040 -1.557 1.00 0.00 C ATOM 687 O LYS A 44 36.122 -18.656 -2.622 1.00 0.00 O ATOM 688 CB LYS A 44 36.036 -19.844 0.230 1.00 0.00 C ATOM 689 CG LYS A 44 36.988 -20.832 0.919 1.00 0.00 C ATOM 690 CD LYS A 44 36.181 -21.920 1.649 1.00 0.00 C ATOM 691 CE LYS A 44 37.064 -23.067 2.167 1.00 0.00 C ATOM 692 NZ LYS A 44 37.539 -23.956 1.071 1.00 0.00 N ATOM 0 H LYS A 44 36.430 -17.941 1.639 1.00 0.00 H new ATOM 0 HA LYS A 44 37.762 -18.839 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.267 -19.535 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.529 -20.350 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.646 -21.290 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.624 -20.302 1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.648 -21.471 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.428 -22.324 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 44 37.924 -22.651 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.502 -23.656 2.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 38.130 -24.713 1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.721 -24.375 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 38.099 -23.401 0.392 1.00 0.00 H new ATOM 706 N GLY A 45 35.350 -16.898 -1.444 1.00 0.00 N ATOM 707 CA GLY A 45 34.623 -16.237 -2.534 1.00 0.00 C ATOM 708 C GLY A 45 34.904 -14.734 -2.691 1.00 0.00 C ATOM 709 O GLY A 45 34.333 -14.125 -3.599 1.00 0.00 O ATOM 0 H GLY A 45 35.283 -16.391 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.872 -16.737 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.554 -16.376 -2.373 1.00 0.00 H new ATOM 713 N CYS A 46 35.753 -14.133 -1.847 1.00 0.00 N ATOM 714 CA CYS A 46 36.105 -12.712 -1.886 1.00 0.00 C ATOM 715 C CYS A 46 37.049 -12.368 -3.057 1.00 0.00 C ATOM 716 O CYS A 46 37.803 -13.211 -3.553 1.00 0.00 O ATOM 717 CB CYS A 46 36.620 -12.347 -0.484 1.00 0.00 C ATOM 718 SG CYS A 46 37.689 -10.873 -0.387 1.00 0.00 S ATOM 0 H CYS A 46 36.226 -14.638 -1.098 1.00 0.00 H new ATOM 0 HA CYS A 46 35.239 -12.087 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 46 35.761 -12.192 0.169 1.00 0.00 H new ATOM 0 HB3 CYS A 46 37.172 -13.199 -0.088 1.00 0.00 H new ATOM 0 HG CYS A 46 37.740 -10.454 0.843 1.00 0.00 H new ATOM 723 N LYS A 47 36.981 -11.105 -3.499 1.00 0.00 N ATOM 724 CA LYS A 47 37.761 -10.520 -4.607 1.00 0.00 C ATOM 725 C LYS A 47 38.713 -9.411 -4.121 1.00 0.00 C ATOM 726 O LYS A 47 39.431 -8.827 -4.936 1.00 0.00 O ATOM 727 CB LYS A 47 36.818 -9.980 -5.712 1.00 0.00 C ATOM 728 CG LYS A 47 36.168 -11.044 -6.615 1.00 0.00 C ATOM 729 CD LYS A 47 35.007 -11.787 -5.948 1.00 0.00 C ATOM 730 CE LYS A 47 34.376 -12.808 -6.897 1.00 0.00 C ATOM 731 NZ LYS A 47 33.274 -13.539 -6.220 1.00 0.00 N ATOM 0 H LYS A 47 36.349 -10.426 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 47 38.376 -11.317 -5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.026 -9.401 -5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 47 37.383 -9.292 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.807 -10.565 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS A 47 36.927 -11.767 -6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 47 35.365 -12.294 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 47 34.251 -11.070 -5.628 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.993 -12.301 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 47 35.134 -13.514 -7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.040 -14.394 -6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 33.574 -13.809 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.436 -12.926 -6.161 1.00 0.00 H new ATOM 745 N ARG A 48 38.739 -9.113 -2.813 1.00 0.00 N ATOM 746 CA ARG A 48 39.572 -8.068 -2.206 1.00 0.00 C ATOM 747 C ARG A 48 40.891 -8.640 -1.674 1.00 0.00 C ATOM 748 O ARG A 48 41.946 -8.259 -2.180 1.00 0.00 O ATOM 749 CB ARG A 48 38.785 -7.416 -1.056 1.00 0.00 C ATOM 750 CG ARG A 48 37.453 -6.760 -1.415 1.00 0.00 C ATOM 751 CD ARG A 48 36.802 -6.099 -0.188 1.00 0.00 C ATOM 752 NE ARG A 48 36.595 -7.038 0.934 1.00 0.00 N ATOM 753 CZ ARG A 48 35.832 -6.854 1.993 1.00 0.00 C ATOM 754 NH1 ARG A 48 35.092 -5.800 2.185 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.809 -7.731 2.939 1.00 0.00 N ATOM 0 H ARG A 48 38.164 -9.607 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 48 39.817 -7.328 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.595 -8.178 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.422 -6.661 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.612 -6.012 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 48 36.777 -7.509 -1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.429 -5.273 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 48 35.842 -5.672 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 48 37.097 -7.925 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 48 35.080 -5.052 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 48 34.524 -5.722 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.383 -8.571 2.869 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.217 -7.584 3.756 1.00 0.00 H new ATOM 769 N LYS A 49 40.827 -9.541 -0.680 1.00 0.00 N ATOM 770 CA LYS A 49 41.963 -10.150 0.046 1.00 0.00 C ATOM 771 C LYS A 49 43.066 -9.174 0.521 1.00 0.00 C ATOM 772 O LYS A 49 42.930 -7.951 0.427 1.00 0.00 O ATOM 773 CB LYS A 49 42.428 -11.501 -0.561 1.00 0.00 C ATOM 774 CG LYS A 49 42.259 -11.750 -2.069 1.00 0.00 C ATOM 775 CD LYS A 49 40.854 -12.217 -2.497 1.00 0.00 C ATOM 776 CE LYS A 49 40.374 -13.510 -1.819 1.00 0.00 C ATOM 777 NZ LYS A 49 39.533 -13.266 -0.623 1.00 0.00 N ATOM 0 H LYS A 49 39.930 -9.887 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 49 41.552 -10.440 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.486 -11.618 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.896 -12.295 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.499 -10.831 -2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 49 42.986 -12.499 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.140 -11.422 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 49 40.848 -12.365 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 49 39.808 -14.101 -2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.241 -14.104 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 38.810 -14.010 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 40.129 -13.278 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 39.069 -12.339 -0.708 1.00 0.00 H new ATOM 791 N THR A 50 44.158 -9.696 1.087 1.00 0.00 N ATOM 792 CA THR A 50 45.300 -8.928 1.631 1.00 0.00 C ATOM 793 C THR A 50 45.922 -7.947 0.636 1.00 0.00 C ATOM 794 O THR A 50 46.258 -6.823 1.008 1.00 0.00 O ATOM 795 CB THR A 50 46.415 -9.874 2.107 1.00 0.00 C ATOM 796 OG1 THR A 50 46.673 -10.846 1.119 1.00 0.00 O ATOM 797 CG2 THR A 50 46.031 -10.605 3.386 1.00 0.00 C ATOM 0 H THR A 50 44.283 -10.703 1.186 1.00 0.00 H new ATOM 0 HA THR A 50 44.880 -8.354 2.457 1.00 0.00 H new ATOM 0 HB THR A 50 47.295 -9.260 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 50 47.385 -11.445 1.427 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.846 -11.263 3.688 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.839 -9.879 4.176 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.133 -11.197 3.211 1.00 0.00 H new ATOM 805 N ASN A 51 46.074 -8.358 -0.626 1.00 0.00 N ATOM 806 CA ASN A 51 46.666 -7.537 -1.686 1.00 0.00 C ATOM 807 C ASN A 51 45.778 -6.347 -2.124 1.00 0.00 C ATOM 808 O ASN A 51 46.300 -5.361 -2.650 1.00 0.00 O ATOM 809 CB ASN A 51 47.035 -8.460 -2.855 1.00 0.00 C ATOM 810 CG ASN A 51 47.980 -7.765 -3.820 1.00 0.00 C ATOM 811 OD1 ASN A 51 49.148 -7.537 -3.536 1.00 0.00 O ATOM 812 ND2 ASN A 51 47.512 -7.389 -4.985 1.00 0.00 N ATOM 0 H ASN A 51 45.785 -9.283 -0.945 1.00 0.00 H new ATOM 0 HA ASN A 51 47.564 -7.058 -1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 51 47.502 -9.368 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 51 46.131 -8.765 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.121 -6.909 -5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 51 46.539 -7.576 -5.228 1.00 0.00 H new ATOM 819 N GLY A 52 44.459 -6.413 -1.899 1.00 0.00 N ATOM 820 CA GLY A 52 43.502 -5.353 -2.252 1.00 0.00 C ATOM 821 C GLY A 52 43.085 -4.475 -1.065 1.00 0.00 C ATOM 822 O GLY A 52 42.920 -3.265 -1.238 1.00 0.00 O ATOM 0 H GLY A 52 44.018 -7.220 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 52 43.943 -4.721 -3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 52 42.612 -5.809 -2.685 1.00 0.00 H new ATOM 826 N GLY A 53 42.951 -5.052 0.137 1.00 0.00 N ATOM 827 CA GLY A 53 42.621 -4.322 1.374 1.00 0.00 C ATOM 828 C GLY A 53 41.568 -4.961 2.294 1.00 0.00 C ATOM 829 O GLY A 53 41.170 -4.317 3.268 1.00 0.00 O ATOM 0 H GLY A 53 43.070 -6.055 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 53 43.539 -4.192 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 53 42.273 -3.326 1.099 1.00 0.00 H new ATOM 833 N CYS A 54 41.095 -6.181 2.010 1.00 0.00 N ATOM 834 CA CYS A 54 40.079 -6.877 2.802 1.00 0.00 C ATOM 835 C CYS A 54 40.449 -7.030 4.294 1.00 0.00 C ATOM 836 O CYS A 54 41.512 -7.591 4.600 1.00 0.00 O ATOM 837 CB CYS A 54 39.908 -8.255 2.180 1.00 0.00 C ATOM 838 SG CYS A 54 38.445 -9.097 2.820 1.00 0.00 S ATOM 0 H CYS A 54 41.416 -6.721 1.206 1.00 0.00 H new ATOM 0 HA CYS A 54 39.163 -6.286 2.784 1.00 0.00 H new ATOM 0 HB2 CYS A 54 39.828 -8.159 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.793 -8.858 2.382 1.00 0.00 H new ATOM 0 HG CYS A 54 38.592 -10.382 2.690 1.00 0.00 H new ATOM 843 N PRO A 55 39.605 -6.571 5.240 1.00 0.00 N ATOM 844 CA PRO A 55 39.879 -6.736 6.658 1.00 0.00 C ATOM 845 C PRO A 55 39.554 -8.156 7.142 1.00 0.00 C ATOM 846 O PRO A 55 40.149 -8.593 8.126 1.00 0.00 O ATOM 847 CB PRO A 55 38.986 -5.704 7.353 1.00 0.00 C ATOM 848 CG PRO A 55 37.749 -5.675 6.456 1.00 0.00 C ATOM 849 CD PRO A 55 38.335 -5.879 5.053 1.00 0.00 C ATOM 0 HA PRO A 55 40.936 -6.588 6.880 1.00 0.00 H new ATOM 0 HB2 PRO A 55 38.740 -6.002 8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.466 -4.727 7.413 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.043 -6.463 6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.214 -4.729 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.660 -6.466 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.483 -4.923 4.550 1.00 0.00 H new ATOM 857 N VAL A 56 38.651 -8.890 6.470 1.00 0.00 N ATOM 858 CA VAL A 56 38.295 -10.260 6.863 1.00 0.00 C ATOM 859 C VAL A 56 39.405 -11.221 6.459 1.00 0.00 C ATOM 860 O VAL A 56 39.983 -11.840 7.352 1.00 0.00 O ATOM 861 CB VAL A 56 36.949 -10.746 6.295 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.590 -12.099 6.930 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.792 -9.780 6.586 1.00 0.00 C ATOM 0 H VAL A 56 38.152 -8.552 5.647 1.00 0.00 H new ATOM 0 HA VAL A 56 38.178 -10.243 7.947 1.00 0.00 H new ATOM 0 HB VAL A 56 37.075 -10.818 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.637 -12.447 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.368 -12.827 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.510 -11.984 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 56 34.870 -10.177 6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.675 -9.667 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.008 -8.809 6.140 1.00 0.00 H new ATOM 873 N CYS A 57 39.738 -11.328 5.166 1.00 0.00 N ATOM 874 CA CYS A 57 40.782 -12.218 4.667 1.00 0.00 C ATOM 875 C CYS A 57 42.093 -12.086 5.456 1.00 0.00 C ATOM 876 O CYS A 57 42.610 -13.078 5.977 1.00 0.00 O ATOM 877 CB CYS A 57 40.987 -11.945 3.177 1.00 0.00 C ATOM 878 SG CYS A 57 39.549 -12.508 2.218 1.00 0.00 S ATOM 0 H CYS A 57 39.280 -10.789 4.431 1.00 0.00 H new ATOM 0 HA CYS A 57 40.460 -13.250 4.808 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.143 -10.878 3.016 1.00 0.00 H new ATOM 0 HB3 CYS A 57 41.885 -12.455 2.829 1.00 0.00 H new ATOM 0 HG CYS A 57 39.226 -11.600 1.346 1.00 0.00 H new ATOM 883 N LYS A 58 42.612 -10.860 5.604 1.00 0.00 N ATOM 884 CA LYS A 58 43.821 -10.549 6.355 1.00 0.00 C ATOM 885 C LYS A 58 43.780 -11.046 7.809 1.00 0.00 C ATOM 886 O LYS A 58 44.818 -11.442 8.344 1.00 0.00 O ATOM 887 CB LYS A 58 43.997 -9.029 6.216 1.00 0.00 C ATOM 888 CG LYS A 58 45.383 -8.589 6.654 1.00 0.00 C ATOM 889 CD LYS A 58 45.724 -7.188 6.115 1.00 0.00 C ATOM 890 CE LYS A 58 47.048 -6.671 6.690 1.00 0.00 C ATOM 891 NZ LYS A 58 47.351 -5.296 6.211 1.00 0.00 N ATOM 0 H LYS A 58 42.182 -10.034 5.188 1.00 0.00 H new ATOM 0 HA LYS A 58 44.688 -11.078 5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.831 -8.735 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 58 43.245 -8.518 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.438 -8.585 7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 58 46.123 -9.307 6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.787 -7.221 5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.921 -6.495 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 58 46.999 -6.675 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.857 -7.343 6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 48.253 -4.977 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 47.422 -5.298 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 46.591 -4.650 6.505 1.00 0.00 H new ATOM 905 N GLN A 59 42.594 -11.101 8.425 1.00 0.00 N ATOM 906 CA GLN A 59 42.404 -11.635 9.776 1.00 0.00 C ATOM 907 C GLN A 59 42.696 -13.143 9.825 1.00 0.00 C ATOM 908 O GLN A 59 43.415 -13.585 10.724 1.00 0.00 O ATOM 909 CB GLN A 59 40.978 -11.320 10.282 1.00 0.00 C ATOM 910 CG GLN A 59 40.965 -10.904 11.762 1.00 0.00 C ATOM 911 CD GLN A 59 41.512 -9.491 12.016 1.00 0.00 C ATOM 912 OE1 GLN A 59 42.199 -8.883 11.208 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.231 -8.895 13.154 1.00 0.00 N ATOM 0 H GLN A 59 41.730 -10.772 7.994 1.00 0.00 H new ATOM 0 HA GLN A 59 43.116 -11.147 10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.548 -10.521 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.345 -12.197 10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 59 39.943 -10.960 12.136 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.554 -11.620 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.660 -9.372 13.852 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.584 -7.956 13.339 1.00 0.00 H new ATOM 922 N LEU A 60 42.202 -13.927 8.850 1.00 0.00 N ATOM 923 CA LEU A 60 42.489 -15.367 8.762 1.00 0.00 C ATOM 924 C LEU A 60 43.981 -15.599 8.564 1.00 0.00 C ATOM 925 O LEU A 60 44.553 -16.424 9.267 1.00 0.00 O ATOM 926 CB LEU A 60 41.817 -16.092 7.576 1.00 0.00 C ATOM 927 CG LEU A 60 40.293 -16.219 7.562 1.00 0.00 C ATOM 928 CD1 LEU A 60 39.654 -14.868 7.278 1.00 0.00 C ATOM 929 CD2 LEU A 60 39.900 -17.198 6.453 1.00 0.00 C ATOM 0 H LEU A 60 41.596 -13.581 8.106 1.00 0.00 H new ATOM 0 HA LEU A 60 42.099 -15.766 9.698 1.00 0.00 H new ATOM 0 HB2 LEU A 60 42.114 -15.577 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 60 42.233 -17.098 7.525 1.00 0.00 H new ATOM 0 HG LEU A 60 39.949 -16.576 8.533 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.569 -14.973 7.271 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.945 -14.158 8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.990 -14.504 6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.815 -17.302 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 60 40.251 -16.820 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.353 -18.170 6.648 1.00 0.00 H new ATOM 941 N ILE A 61 44.605 -14.907 7.603 1.00 0.00 N ATOM 942 CA ILE A 61 46.028 -15.115 7.290 1.00 0.00 C ATOM 943 C ILE A 61 46.906 -14.902 8.517 1.00 0.00 C ATOM 944 O ILE A 61 47.798 -15.714 8.734 1.00 0.00 O ATOM 945 CB ILE A 61 46.529 -14.260 6.106 1.00 0.00 C ATOM 946 CG1 ILE A 61 45.606 -14.301 4.879 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.915 -14.722 5.608 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.564 -15.674 4.212 1.00 0.00 C ATOM 0 H ILE A 61 44.149 -14.198 7.028 1.00 0.00 H new ATOM 0 HA ILE A 61 46.110 -16.156 6.977 1.00 0.00 H new ATOM 0 HB ILE A 61 46.561 -13.249 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 61 44.597 -14.018 5.180 1.00 0.00 H new ATOM 0 HG13 ILE A 61 45.942 -13.560 4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 61 48.230 -14.094 4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 61 48.639 -14.639 6.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.856 -15.759 5.279 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.896 -15.640 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.566 -15.949 3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.201 -16.414 4.925 1.00 0.00 H new ATOM 960 N ALA A 62 46.664 -13.877 9.344 1.00 0.00 N ATOM 961 CA ALA A 62 47.446 -13.676 10.569 1.00 0.00 C ATOM 962 C ALA A 62 47.300 -14.903 11.488 1.00 0.00 C ATOM 963 O ALA A 62 48.286 -15.525 11.890 1.00 0.00 O ATOM 964 CB ALA A 62 46.980 -12.388 11.270 1.00 0.00 C ATOM 0 H ALA A 62 45.937 -13.178 9.188 1.00 0.00 H new ATOM 0 HA ALA A 62 48.502 -13.566 10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.561 -12.239 12.180 1.00 0.00 H new ATOM 0 HB2 ALA A 62 47.125 -11.538 10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.923 -12.474 11.524 1.00 0.00 H new ATOM 970 N LEU A 63 46.052 -15.275 11.772 1.00 0.00 N ATOM 971 CA LEU A 63 45.676 -16.411 12.616 1.00 0.00 C ATOM 972 C LEU A 63 46.301 -17.732 12.113 1.00 0.00 C ATOM 973 O LEU A 63 46.843 -18.515 12.896 1.00 0.00 O ATOM 974 CB LEU A 63 44.131 -16.420 12.666 1.00 0.00 C ATOM 975 CG LEU A 63 43.536 -16.787 14.032 1.00 0.00 C ATOM 976 CD1 LEU A 63 42.111 -16.239 14.132 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.496 -18.295 14.233 1.00 0.00 C ATOM 0 H LEU A 63 45.242 -14.774 11.406 1.00 0.00 H new ATOM 0 HA LEU A 63 46.070 -16.312 13.628 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.766 -15.434 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.761 -17.126 11.922 1.00 0.00 H new ATOM 0 HG LEU A 63 44.170 -16.349 14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.688 -16.500 15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.130 -15.155 14.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.498 -16.672 13.341 1.00 0.00 H new ATOM 0 HD21 LEU A 63 43.069 -18.521 15.210 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.882 -18.750 13.455 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.508 -18.696 14.178 1.00 0.00 H new ATOM 989 N CYS A 64 46.286 -17.947 10.796 1.00 0.00 N ATOM 990 CA CYS A 64 46.885 -19.096 10.124 1.00 0.00 C ATOM 991 C CYS A 64 48.421 -19.029 10.132 1.00 0.00 C ATOM 992 O CYS A 64 49.043 -20.060 10.344 1.00 0.00 O ATOM 993 CB CYS A 64 46.339 -19.213 8.696 1.00 0.00 C ATOM 994 SG CYS A 64 44.550 -19.526 8.729 1.00 0.00 S ATOM 0 H CYS A 64 45.839 -17.300 10.146 1.00 0.00 H new ATOM 0 HA CYS A 64 46.608 -19.993 10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.544 -18.296 8.144 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.847 -20.022 8.170 1.00 0.00 H new ATOM 0 HG CYS A 64 43.918 -18.409 8.934 1.00 0.00 H new ATOM 1000 N CYS A 65 49.051 -17.857 9.969 1.00 0.00 N ATOM 1001 CA CYS A 65 50.511 -17.692 10.071 1.00 0.00 C ATOM 1002 C CYS A 65 50.992 -18.063 11.476 1.00 0.00 C ATOM 1003 O CYS A 65 52.005 -18.749 11.623 1.00 0.00 O ATOM 1004 CB CYS A 65 50.932 -16.247 9.759 1.00 0.00 C ATOM 1005 SG CYS A 65 50.822 -15.878 7.989 1.00 0.00 S ATOM 0 H CYS A 65 48.559 -16.988 9.761 1.00 0.00 H new ATOM 0 HA CYS A 65 50.969 -18.357 9.338 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.297 -15.556 10.314 1.00 0.00 H new ATOM 0 HB3 CYS A 65 51.954 -16.085 10.101 1.00 0.00 H new ATOM 0 HG CYS A 65 50.443 -14.645 7.825 1.00 0.00 H new ATOM 1011 N TYR A 66 50.255 -17.646 12.512 1.00 0.00 N ATOM 1012 CA TYR A 66 50.573 -17.961 13.905 1.00 0.00 C ATOM 1013 C TYR A 66 50.714 -19.475 14.124 1.00 0.00 C ATOM 1014 O TYR A 66 51.674 -19.923 14.753 1.00 0.00 O ATOM 1015 CB TYR A 66 49.527 -17.341 14.832 1.00 0.00 C ATOM 1016 CG TYR A 66 50.052 -17.046 16.222 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.738 -15.840 16.458 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.817 -17.937 17.285 1.00 0.00 C ATOM 1019 CE1 TYR A 66 51.062 -15.460 17.773 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.190 -17.587 18.597 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.791 -16.335 18.847 1.00 0.00 C ATOM 1022 OH TYR A 66 51.125 -15.980 20.115 1.00 0.00 O ATOM 0 H TYR A 66 49.416 -17.077 12.404 1.00 0.00 H new ATOM 0 HA TYR A 66 51.542 -17.525 14.148 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.161 -16.416 14.387 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.675 -18.017 14.910 1.00 0.00 H new ATOM 0 HD1 TYR A 66 51.016 -15.206 15.629 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.349 -18.892 17.094 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.518 -14.499 17.961 1.00 0.00 H new ATOM 0 HE2 TYR A 66 50.016 -18.276 19.411 1.00 0.00 H new ATOM 0 HH TYR A 66 50.868 -16.695 20.733 1.00 0.00 H new ATOM 1032 N HIS A 67 49.793 -20.250 13.543 1.00 0.00 N ATOM 1033 CA HIS A 67 49.785 -21.711 13.564 1.00 0.00 C ATOM 1034 C HIS A 67 50.832 -22.323 12.601 1.00 0.00 C ATOM 1035 O HIS A 67 51.676 -23.113 13.033 1.00 0.00 O ATOM 1036 CB HIS A 67 48.352 -22.164 13.229 1.00 0.00 C ATOM 1037 CG HIS A 67 48.227 -23.652 13.055 1.00 0.00 C ATOM 1038 ND1 HIS A 67 48.131 -24.598 14.054 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.359 -24.323 11.869 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.243 -25.811 13.483 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.383 -25.691 12.153 1.00 0.00 N ATOM 0 H HIS A 67 49.005 -19.860 13.027 1.00 0.00 H new ATOM 0 HA HIS A 67 50.073 -22.070 14.552 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.680 -21.840 14.024 1.00 0.00 H new ATOM 0 HB3 HIS A 67 48.026 -21.669 12.314 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.432 -23.875 10.889 1.00 0.00 H new ATOM 0 HE1 HIS A 67 48.223 -26.749 14.019 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.487 -26.451 11.481 1.00 0.00 H new ATOM 1049 N ALA A 68 50.818 -21.948 11.311 1.00 0.00 N ATOM 1050 CA ALA A 68 51.711 -22.454 10.266 1.00 0.00 C ATOM 1051 C ALA A 68 53.215 -22.302 10.572 1.00 0.00 C ATOM 1052 O ALA A 68 54.014 -23.112 10.096 1.00 0.00 O ATOM 1053 CB ALA A 68 51.317 -21.797 8.939 1.00 0.00 C ATOM 0 H ALA A 68 50.156 -21.256 10.958 1.00 0.00 H new ATOM 0 HA ALA A 68 51.577 -23.534 10.209 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.970 -22.160 8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.283 -22.048 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.417 -20.715 9.025 1.00 0.00 H new ATOM 1059 N LYS A 69 53.613 -21.316 11.398 1.00 0.00 N ATOM 1060 CA LYS A 69 55.005 -21.150 11.863 1.00 0.00 C ATOM 1061 C LYS A 69 55.532 -22.430 12.517 1.00 0.00 C ATOM 1062 O LYS A 69 56.640 -22.872 12.211 1.00 0.00 O ATOM 1063 CB LYS A 69 55.097 -20.004 12.892 1.00 0.00 C ATOM 1064 CG LYS A 69 55.312 -18.607 12.295 1.00 0.00 C ATOM 1065 CD LYS A 69 55.426 -17.497 13.364 1.00 0.00 C ATOM 1066 CE LYS A 69 54.142 -17.231 14.162 1.00 0.00 C ATOM 1067 NZ LYS A 69 53.954 -18.135 15.335 1.00 0.00 N ATOM 0 H LYS A 69 52.976 -20.608 11.764 1.00 0.00 H new ATOM 0 HA LYS A 69 55.611 -20.919 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 69 54.181 -19.992 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.916 -20.218 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.219 -18.614 11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.484 -18.374 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 69 56.220 -17.765 14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 69 55.730 -16.572 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 69 54.151 -16.198 14.511 1.00 0.00 H new ATOM 0 HE3 LYS A 69 53.285 -17.335 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 53.105 -18.718 15.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 54.785 -18.752 15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 53.840 -17.565 16.198 1.00 0.00 H new ATOM 1081 N HIS A 70 54.739 -23.012 13.414 1.00 0.00 N ATOM 1082 CA HIS A 70 55.065 -24.224 14.170 1.00 0.00 C ATOM 1083 C HIS A 70 54.631 -25.536 13.488 1.00 0.00 C ATOM 1084 O HIS A 70 55.279 -26.569 13.696 1.00 0.00 O ATOM 1085 CB HIS A 70 54.447 -24.093 15.572 1.00 0.00 C ATOM 1086 CG HIS A 70 54.798 -22.782 16.240 1.00 0.00 C ATOM 1087 ND1 HIS A 70 56.046 -22.391 16.671 1.00 0.00 N ATOM 1088 CD2 HIS A 70 53.961 -21.711 16.411 1.00 0.00 C ATOM 1089 CE1 HIS A 70 55.966 -21.118 17.091 1.00 0.00 C ATOM 1090 NE2 HIS A 70 54.712 -20.651 16.939 1.00 0.00 N ATOM 0 H HIS A 70 53.817 -22.641 13.644 1.00 0.00 H new ATOM 0 HA HIS A 70 56.151 -24.297 14.226 1.00 0.00 H new ATOM 0 HB2 HIS A 70 53.363 -24.180 15.497 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.791 -24.918 16.196 1.00 0.00 H new ATOM 0 HD1 HIS A 70 56.887 -22.969 16.671 1.00 0.00 H new ATOM 0 HD2 HIS A 70 52.906 -21.687 16.179 1.00 0.00 H new ATOM 0 HE1 HIS A 70 56.791 -20.549 17.494 1.00 0.00 H new ATOM 1098 N CYS A 71 53.549 -25.514 12.699 1.00 0.00 N ATOM 1099 CA CYS A 71 53.002 -26.718 12.059 1.00 0.00 C ATOM 1100 C CYS A 71 53.953 -27.339 11.021 1.00 0.00 C ATOM 1101 O CYS A 71 54.653 -26.643 10.278 1.00 0.00 O ATOM 1102 CB CYS A 71 51.640 -26.413 11.432 1.00 0.00 C ATOM 1103 SG CYS A 71 50.718 -27.970 11.184 1.00 0.00 S ATOM 0 H CYS A 71 53.029 -24.663 12.486 1.00 0.00 H new ATOM 0 HA CYS A 71 52.881 -27.463 12.845 1.00 0.00 H new ATOM 0 HB2 CYS A 71 51.073 -25.742 12.077 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.773 -25.902 10.479 1.00 0.00 H new ATOM 0 HG CYS A 71 49.719 -28.020 12.015 1.00 0.00 H new ATOM 1108 N GLN A 72 53.962 -28.671 10.959 1.00 0.00 N ATOM 1109 CA GLN A 72 54.813 -29.471 10.069 1.00 0.00 C ATOM 1110 C GLN A 72 54.040 -30.590 9.335 1.00 0.00 C ATOM 1111 O GLN A 72 54.628 -31.338 8.553 1.00 0.00 O ATOM 1112 CB GLN A 72 55.980 -30.037 10.905 1.00 0.00 C ATOM 1113 CG GLN A 72 56.985 -28.961 11.367 1.00 0.00 C ATOM 1114 CD GLN A 72 57.688 -29.348 12.664 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.549 -30.219 12.709 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.348 -28.719 13.772 1.00 0.00 N ATOM 0 H GLN A 72 53.357 -29.245 11.546 1.00 0.00 H new ATOM 0 HA GLN A 72 55.194 -28.828 9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.576 -30.545 11.781 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.508 -30.787 10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.729 -28.802 10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.463 -28.015 11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.633 -27.992 13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.800 -28.959 14.654 1.00 0.00 H new ATOM 1125 N GLU A 73 52.726 -30.713 9.558 1.00 0.00 N ATOM 1126 CA GLU A 73 51.866 -31.711 8.908 1.00 0.00 C ATOM 1127 C GLU A 73 51.531 -31.319 7.454 1.00 0.00 C ATOM 1128 O GLU A 73 51.495 -30.136 7.103 1.00 0.00 O ATOM 1129 CB GLU A 73 50.597 -31.881 9.764 1.00 0.00 C ATOM 1130 CG GLU A 73 49.654 -33.030 9.388 1.00 0.00 C ATOM 1131 CD GLU A 73 50.370 -34.387 9.325 1.00 0.00 C ATOM 1132 OE1 GLU A 73 50.999 -34.666 8.279 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.283 -35.192 10.280 1.00 0.00 O ATOM 0 H GLU A 73 52.221 -30.110 10.208 1.00 0.00 H new ATOM 0 HA GLU A 73 52.393 -32.663 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 50.904 -32.019 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.031 -30.950 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 73 48.845 -33.084 10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.198 -32.819 8.421 1.00 0.00 H new ATOM 1140 N ASN A 74 51.254 -32.317 6.610 1.00 0.00 N ATOM 1141 CA ASN A 74 50.950 -32.150 5.174 1.00 0.00 C ATOM 1142 C ASN A 74 49.468 -32.408 4.820 1.00 0.00 C ATOM 1143 O ASN A 74 49.058 -32.255 3.668 1.00 0.00 O ATOM 1144 CB ASN A 74 51.899 -33.061 4.372 1.00 0.00 C ATOM 1145 CG ASN A 74 53.360 -32.673 4.540 1.00 0.00 C ATOM 1146 OD1 ASN A 74 53.787 -31.587 4.174 1.00 0.00 O ATOM 1147 ND2 ASN A 74 54.179 -33.543 5.091 1.00 0.00 N ATOM 0 H ASN A 74 51.233 -33.292 6.908 1.00 0.00 H new ATOM 0 HA ASN A 74 51.114 -31.106 4.907 1.00 0.00 H new ATOM 0 HB2 ASN A 74 51.762 -34.094 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 74 51.634 -33.016 3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 74 55.165 -33.310 5.211 1.00 0.00 H new ATOM 0 HD22 ASN A 74 53.828 -34.450 5.398 1.00 0.00 H new ATOM 1154 N LYS A 75 48.678 -32.816 5.821 1.00 0.00 N ATOM 1155 CA LYS A 75 47.249 -33.168 5.776 1.00 0.00 C ATOM 1156 C LYS A 75 46.396 -32.335 6.758 1.00 0.00 C ATOM 1157 O LYS A 75 45.259 -32.702 7.061 1.00 0.00 O ATOM 1158 CB LYS A 75 47.115 -34.683 6.049 1.00 0.00 C ATOM 1159 CG LYS A 75 48.012 -35.549 5.139 1.00 0.00 C ATOM 1160 CD LYS A 75 49.302 -36.085 5.777 1.00 0.00 C ATOM 1161 CE LYS A 75 49.062 -37.030 6.963 1.00 0.00 C ATOM 1162 NZ LYS A 75 50.334 -37.317 7.672 1.00 0.00 N ATOM 0 H LYS A 75 49.052 -32.918 6.765 1.00 0.00 H new ATOM 0 HA LYS A 75 46.860 -32.931 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.367 -34.881 7.091 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.075 -34.979 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 75 47.426 -36.397 4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 75 48.281 -34.960 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 75 49.881 -36.611 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 49.907 -35.243 6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 75 48.349 -36.581 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 75 48.620 -37.961 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.136 -37.874 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 50.966 -37.856 7.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 50.792 -36.422 7.939 1.00 0.00 H new ATOM 1176 N CYS A 76 46.959 -31.232 7.264 1.00 0.00 N ATOM 1177 CA CYS A 76 46.349 -30.294 8.211 1.00 0.00 C ATOM 1178 C CYS A 76 44.974 -29.790 7.684 1.00 0.00 C ATOM 1179 O CYS A 76 44.868 -29.477 6.491 1.00 0.00 O ATOM 1180 CB CYS A 76 47.384 -29.168 8.424 1.00 0.00 C ATOM 1181 SG CYS A 76 47.200 -28.332 10.028 1.00 0.00 S ATOM 0 H CYS A 76 47.907 -30.955 7.008 1.00 0.00 H new ATOM 0 HA CYS A 76 46.119 -30.761 9.169 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.388 -29.586 8.351 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.285 -28.434 7.624 1.00 0.00 H new ATOM 0 HG CYS A 76 48.367 -28.198 10.584 1.00 0.00 H new ATOM 1186 N PRO A 77 43.900 -29.730 8.503 1.00 0.00 N ATOM 1187 CA PRO A 77 42.562 -29.355 8.034 1.00 0.00 C ATOM 1188 C PRO A 77 42.400 -27.885 7.609 1.00 0.00 C ATOM 1189 O PRO A 77 41.535 -27.593 6.780 1.00 0.00 O ATOM 1190 CB PRO A 77 41.616 -29.710 9.187 1.00 0.00 C ATOM 1191 CG PRO A 77 42.502 -29.601 10.425 1.00 0.00 C ATOM 1192 CD PRO A 77 43.857 -30.087 9.913 1.00 0.00 C ATOM 0 HA PRO A 77 42.342 -29.896 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.770 -29.024 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.206 -30.714 9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.553 -28.578 10.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.133 -30.220 11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.674 -29.616 10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 77 43.962 -31.164 10.047 1.00 0.00 H new ATOM 1200 N VAL A 78 43.203 -26.956 8.142 1.00 0.00 N ATOM 1201 CA VAL A 78 43.142 -25.527 7.790 1.00 0.00 C ATOM 1202 C VAL A 78 43.703 -25.332 6.369 1.00 0.00 C ATOM 1203 O VAL A 78 44.854 -25.710 6.129 1.00 0.00 O ATOM 1204 CB VAL A 78 43.912 -24.677 8.821 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.859 -23.185 8.476 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.308 -24.839 10.224 1.00 0.00 C ATOM 0 H VAL A 78 43.919 -27.174 8.835 1.00 0.00 H new ATOM 0 HA VAL A 78 42.105 -25.192 7.807 1.00 0.00 H new ATOM 0 HB VAL A 78 44.943 -25.030 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.412 -22.618 9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.305 -23.022 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.821 -22.851 8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 78 43.868 -24.230 10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.267 -24.516 10.211 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.360 -25.886 10.524 1.00 0.00 H new ATOM 1216 N PRO A 79 42.947 -24.755 5.410 1.00 0.00 N ATOM 1217 CA PRO A 79 43.411 -24.622 4.024 1.00 0.00 C ATOM 1218 C PRO A 79 44.639 -23.716 3.872 1.00 0.00 C ATOM 1219 O PRO A 79 45.505 -23.972 3.034 1.00 0.00 O ATOM 1220 CB PRO A 79 42.204 -24.102 3.232 1.00 0.00 C ATOM 1221 CG PRO A 79 41.343 -23.402 4.280 1.00 0.00 C ATOM 1222 CD PRO A 79 41.592 -24.230 5.542 1.00 0.00 C ATOM 0 HA PRO A 79 43.757 -25.584 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.511 -23.414 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.662 -24.916 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.639 -22.362 4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.289 -23.400 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.496 -23.617 6.438 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.866 -25.038 5.629 1.00 0.00 H new ATOM 1230 N PHE A 80 44.743 -22.660 4.681 1.00 0.00 N ATOM 1231 CA PHE A 80 45.868 -21.728 4.616 1.00 0.00 C ATOM 1232 C PHE A 80 47.140 -22.190 5.320 1.00 0.00 C ATOM 1233 O PHE A 80 48.204 -21.700 4.956 1.00 0.00 O ATOM 1234 CB PHE A 80 45.436 -20.351 5.124 1.00 0.00 C ATOM 1235 CG PHE A 80 44.934 -19.513 3.978 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.856 -18.856 3.138 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.564 -19.506 3.678 1.00 0.00 C ATOM 1238 CE1 PHE A 80 45.389 -18.170 2.003 1.00 0.00 C ATOM 1239 CE2 PHE A 80 43.098 -18.816 2.546 1.00 0.00 C ATOM 1240 CZ PHE A 80 44.011 -18.145 1.710 1.00 0.00 C ATOM 0 H PHE A 80 44.053 -22.428 5.396 1.00 0.00 H new ATOM 0 HA PHE A 80 46.142 -21.677 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.654 -20.460 5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.276 -19.853 5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.912 -18.879 3.364 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.868 -20.030 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 80 46.087 -17.662 1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 80 42.042 -18.800 2.318 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.654 -17.610 0.842 1.00 0.00 H new ATOM 1250 N CYS A 81 47.077 -23.136 6.258 1.00 0.00 N ATOM 1251 CA CYS A 81 48.279 -23.628 6.945 1.00 0.00 C ATOM 1252 C CYS A 81 49.262 -24.212 5.914 1.00 0.00 C ATOM 1253 O CYS A 81 50.408 -23.771 5.785 1.00 0.00 O ATOM 1254 CB CYS A 81 47.851 -24.641 8.020 1.00 0.00 C ATOM 1255 SG CYS A 81 49.266 -25.526 8.750 1.00 0.00 S ATOM 0 H CYS A 81 46.209 -23.578 6.561 1.00 0.00 H new ATOM 0 HA CYS A 81 48.806 -22.818 7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.307 -24.121 8.808 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.163 -25.363 7.580 1.00 0.00 H new ATOM 0 HG CYS A 81 48.849 -26.621 9.313 1.00 0.00 H new ATOM 1260 N LEU A 82 48.743 -25.140 5.109 1.00 0.00 N ATOM 1261 CA LEU A 82 49.403 -25.832 4.001 1.00 0.00 C ATOM 1262 C LEU A 82 50.080 -24.863 3.017 1.00 0.00 C ATOM 1263 O LEU A 82 51.215 -25.082 2.596 1.00 0.00 O ATOM 1264 CB LEU A 82 48.323 -26.649 3.272 1.00 0.00 C ATOM 1265 CG LEU A 82 47.564 -27.663 4.160 1.00 0.00 C ATOM 1266 CD1 LEU A 82 46.134 -27.785 3.649 1.00 0.00 C ATOM 1267 CD2 LEU A 82 48.252 -29.026 4.173 1.00 0.00 C ATOM 0 H LEU A 82 47.778 -25.451 5.223 1.00 0.00 H new ATOM 0 HA LEU A 82 50.195 -26.467 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 82 47.601 -25.960 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 82 48.790 -27.188 2.448 1.00 0.00 H new ATOM 0 HG LEU A 82 47.561 -27.301 5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 82 45.587 -28.497 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 82 45.646 -26.812 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 82 46.145 -28.133 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.690 -29.711 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 82 48.294 -29.422 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 82 49.264 -28.919 4.563 1.00 0.00 H new ATOM 1279 N ASN A 83 49.381 -23.781 2.660 1.00 0.00 N ATOM 1280 CA ASN A 83 49.866 -22.763 1.730 1.00 0.00 C ATOM 1281 C ASN A 83 50.914 -21.830 2.367 1.00 0.00 C ATOM 1282 O ASN A 83 51.940 -21.542 1.747 1.00 0.00 O ATOM 1283 CB ASN A 83 48.646 -21.990 1.192 1.00 0.00 C ATOM 1284 CG ASN A 83 47.868 -22.817 0.177 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.260 -22.954 -0.969 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.764 -23.428 0.543 1.00 0.00 N ATOM 0 H ASN A 83 48.446 -23.587 3.017 1.00 0.00 H new ATOM 0 HA ASN A 83 50.388 -23.247 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 83 47.992 -21.718 2.020 1.00 0.00 H new ATOM 0 HB3 ASN A 83 48.977 -21.061 0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.253 -24.003 -0.127 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.418 -23.327 1.497 1.00 0.00 H new ATOM 1293 N ILE A 84 50.688 -21.362 3.601 1.00 0.00 N ATOM 1294 CA ILE A 84 51.600 -20.458 4.310 1.00 0.00 C ATOM 1295 C ILE A 84 52.901 -21.159 4.710 1.00 0.00 C ATOM 1296 O ILE A 84 53.976 -20.646 4.398 1.00 0.00 O ATOM 1297 CB ILE A 84 50.870 -19.827 5.520 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.686 -18.953 5.056 1.00 0.00 C ATOM 1299 CG2 ILE A 84 51.768 -18.945 6.403 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.719 -18.653 6.196 1.00 0.00 C ATOM 0 H ILE A 84 49.857 -21.604 4.141 1.00 0.00 H new ATOM 0 HA ILE A 84 51.894 -19.654 3.635 1.00 0.00 H new ATOM 0 HB ILE A 84 50.534 -20.679 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 84 50.065 -18.017 4.646 1.00 0.00 H new ATOM 0 HG13 ILE A 84 49.153 -19.461 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 84 51.182 -18.540 7.228 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.589 -19.543 6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 84 52.171 -18.125 5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 84 47.901 -18.035 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.319 -19.588 6.589 1.00 0.00 H new ATOM 0 HD13 ILE A 84 49.245 -18.121 6.989 1.00 0.00 H new ATOM 1312 N LYS A 85 52.837 -22.330 5.364 1.00 0.00 N ATOM 1313 CA LYS A 85 54.021 -23.084 5.827 1.00 0.00 C ATOM 1314 C LYS A 85 55.038 -23.346 4.712 1.00 0.00 C ATOM 1315 O LYS A 85 56.231 -23.162 4.931 1.00 0.00 O ATOM 1316 CB LYS A 85 53.593 -24.356 6.594 1.00 0.00 C ATOM 1317 CG LYS A 85 53.249 -25.571 5.711 1.00 0.00 C ATOM 1318 CD LYS A 85 52.261 -26.556 6.349 1.00 0.00 C ATOM 1319 CE LYS A 85 52.544 -26.937 7.801 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.356 -27.605 8.360 1.00 0.00 N ATOM 0 H LYS A 85 51.954 -22.788 5.590 1.00 0.00 H new ATOM 0 HA LYS A 85 54.559 -22.455 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 85 54.396 -24.638 7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.725 -24.116 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 85 52.831 -25.214 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.170 -26.103 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 85 51.261 -26.125 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 85 52.248 -27.467 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.409 -27.598 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.786 -26.048 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.500 -27.777 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.522 -26.999 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.206 -28.512 7.873 1.00 0.00 H new ATOM 1334 N HIS A 86 54.580 -23.686 3.504 1.00 0.00 N ATOM 1335 CA HIS A 86 55.442 -23.895 2.333 1.00 0.00 C ATOM 1336 C HIS A 86 56.318 -22.668 2.030 1.00 0.00 C ATOM 1337 O HIS A 86 57.505 -22.817 1.724 1.00 0.00 O ATOM 1338 CB HIS A 86 54.575 -24.265 1.119 1.00 0.00 C ATOM 1339 CG HIS A 86 54.382 -25.753 0.938 1.00 0.00 C ATOM 1340 ND1 HIS A 86 54.737 -26.484 -0.175 1.00 0.00 N ATOM 1341 CD2 HIS A 86 53.850 -26.636 1.841 1.00 0.00 C ATOM 1342 CE1 HIS A 86 54.426 -27.773 0.048 1.00 0.00 C ATOM 1343 NE2 HIS A 86 53.882 -27.916 1.270 1.00 0.00 N ATOM 0 H HIS A 86 53.589 -23.826 3.307 1.00 0.00 H new ATOM 0 HA HIS A 86 56.124 -24.716 2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.599 -23.792 1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 86 55.033 -23.855 0.219 1.00 0.00 H new ATOM 0 HD2 HIS A 86 53.472 -26.389 2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 86 54.589 -28.578 -0.653 1.00 0.00 H new ATOM 0 HE2 HIS A 86 53.557 -28.784 1.697 1.00 0.00 H new ATOM 1351 N LYS A 87 55.767 -21.454 2.157 1.00 0.00 N ATOM 1352 CA LYS A 87 56.517 -20.204 1.967 1.00 0.00 C ATOM 1353 C LYS A 87 57.375 -19.876 3.191 1.00 0.00 C ATOM 1354 O LYS A 87 58.530 -19.496 3.018 1.00 0.00 O ATOM 1355 CB LYS A 87 55.557 -19.051 1.611 1.00 0.00 C ATOM 1356 CG LYS A 87 55.066 -19.196 0.159 1.00 0.00 C ATOM 1357 CD LYS A 87 54.145 -18.066 -0.337 1.00 0.00 C ATOM 1358 CE LYS A 87 54.716 -16.639 -0.275 1.00 0.00 C ATOM 1359 NZ LYS A 87 56.019 -16.512 -0.979 1.00 0.00 N ATOM 0 H LYS A 87 54.786 -21.310 2.395 1.00 0.00 H new ATOM 0 HA LYS A 87 57.203 -20.338 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 87 54.706 -19.053 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 87 56.064 -18.094 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 87 55.934 -19.250 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 87 54.535 -20.143 0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 87 53.870 -18.279 -1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 87 53.227 -18.092 0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 87 54.000 -15.946 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 87 54.841 -16.347 0.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 56.104 -15.557 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 56.795 -16.673 -0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 56.071 -17.216 -1.742 1.00 0.00 H new ATOM 1373 N LEU A 88 56.867 -20.057 4.418 1.00 0.00 N ATOM 1374 CA LEU A 88 57.644 -19.755 5.636 1.00 0.00 C ATOM 1375 C LEU A 88 58.925 -20.603 5.745 1.00 0.00 C ATOM 1376 O LEU A 88 59.995 -20.073 6.049 1.00 0.00 O ATOM 1377 CB LEU A 88 56.808 -19.892 6.924 1.00 0.00 C ATOM 1378 CG LEU A 88 55.452 -19.159 6.995 1.00 0.00 C ATOM 1379 CD1 LEU A 88 55.095 -18.846 8.453 1.00 0.00 C ATOM 1380 CD2 LEU A 88 55.342 -17.868 6.172 1.00 0.00 C ATOM 0 H LEU A 88 55.927 -20.409 4.597 1.00 0.00 H new ATOM 0 HA LEU A 88 57.937 -18.710 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.622 -20.953 7.089 1.00 0.00 H new ATOM 0 HB3 LEU A 88 57.419 -19.543 7.756 1.00 0.00 H new ATOM 0 HG LEU A 88 54.748 -19.858 6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.136 -18.329 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.028 -19.775 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 88 55.867 -18.211 8.888 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.347 -17.440 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 88 56.091 -17.153 6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.510 -18.093 5.119 1.00 0.00 H new ATOM 1704 N ASN B 722 32.571 -7.693 9.639 1.00 0.00 N ATOM 1705 CA ASN B 722 32.421 -7.923 11.084 1.00 0.00 C ATOM 1706 C ASN B 722 32.533 -9.417 11.445 1.00 0.00 C ATOM 1707 O ASN B 722 32.499 -9.793 12.616 1.00 0.00 O ATOM 1708 CB ASN B 722 31.093 -7.319 11.546 1.00 0.00 C ATOM 1709 CG ASN B 722 30.924 -7.321 13.057 1.00 0.00 C ATOM 1710 OD1 ASN B 722 29.956 -7.847 13.587 1.00 0.00 O ATOM 1711 ND2 ASN B 722 31.855 -6.750 13.788 1.00 0.00 N ATOM 0 HA ASN B 722 33.238 -7.430 11.610 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.021 -6.294 11.181 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.272 -7.876 11.095 1.00 0.00 H new ATOM 0 HD21 ASN B 722 31.773 -6.744 14.805 1.00 0.00 H new ATOM 0 HD22 ASN B 722 32.660 -6.313 13.339 1.00 0.00 H new ATOM 1718 N LEU B 723 32.740 -10.272 10.435 1.00 0.00 N ATOM 1719 CA LEU B 723 33.005 -11.702 10.603 1.00 0.00 C ATOM 1720 C LEU B 723 34.312 -11.950 11.386 1.00 0.00 C ATOM 1721 O LEU B 723 34.537 -13.059 11.852 1.00 0.00 O ATOM 1722 CB LEU B 723 33.064 -12.367 9.212 1.00 0.00 C ATOM 1723 CG LEU B 723 31.810 -12.254 8.326 1.00 0.00 C ATOM 1724 CD1 LEU B 723 32.039 -13.078 7.060 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.555 -12.765 9.033 1.00 0.00 C ATOM 0 H LEU B 723 32.727 -9.980 9.458 1.00 0.00 H new ATOM 0 HA LEU B 723 32.198 -12.144 11.187 1.00 0.00 H new ATOM 0 HB2 LEU B 723 33.903 -11.936 8.666 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.285 -13.425 9.352 1.00 0.00 H new ATOM 0 HG LEU B 723 31.651 -11.201 8.093 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.161 -13.011 6.418 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.908 -12.692 6.527 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.212 -14.120 7.330 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.697 -12.665 8.369 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.688 -13.814 9.298 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.384 -12.181 9.937 1.00 0.00 H new ATOM 1737 N LEU B 724 35.149 -10.916 11.546 1.00 0.00 N ATOM 1738 CA LEU B 724 36.464 -10.907 12.211 1.00 0.00 C ATOM 1739 C LEU B 724 36.538 -11.835 13.453 1.00 0.00 C ATOM 1740 O LEU B 724 35.977 -11.490 14.498 1.00 0.00 O ATOM 1741 CB LEU B 724 36.872 -9.453 12.552 1.00 0.00 C ATOM 1742 CG LEU B 724 36.662 -8.390 11.450 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.313 -7.074 11.870 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.262 -8.806 10.103 1.00 0.00 C ATOM 0 H LEU B 724 34.908 -9.992 11.187 1.00 0.00 H new ATOM 0 HA LEU B 724 37.184 -11.322 11.506 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.312 -9.142 13.434 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.927 -9.452 12.827 1.00 0.00 H new ATOM 0 HG LEU B 724 35.585 -8.280 11.327 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.162 -6.328 11.090 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.861 -6.725 12.798 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.381 -7.229 12.022 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.084 -8.021 9.368 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.335 -8.962 10.215 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.794 -9.731 9.767 1.00 0.00 H new ATOM 1756 N PRO B 725 37.193 -13.014 13.370 1.00 0.00 N ATOM 1757 CA PRO B 725 37.259 -13.985 14.472 1.00 0.00 C ATOM 1758 C PRO B 725 38.293 -13.649 15.565 1.00 0.00 C ATOM 1759 O PRO B 725 38.373 -14.350 16.573 1.00 0.00 O ATOM 1760 CB PRO B 725 37.617 -15.306 13.786 1.00 0.00 C ATOM 1761 CG PRO B 725 38.527 -14.861 12.646 1.00 0.00 C ATOM 1762 CD PRO B 725 37.876 -13.554 12.196 1.00 0.00 C ATOM 0 HA PRO B 725 36.312 -14.002 15.011 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.126 -15.990 14.466 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.731 -15.823 13.418 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.553 -14.709 12.981 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.560 -15.596 11.842 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.624 -12.854 11.825 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.172 -13.729 11.382 1.00 0.00 H new ATOM 1770 N MET B 726 39.092 -12.595 15.368 1.00 0.00 N ATOM 1771 CA MET B 726 40.164 -12.148 16.264 1.00 0.00 C ATOM 1772 C MET B 726 40.163 -10.617 16.374 1.00 0.00 C ATOM 1773 O MET B 726 39.834 -9.922 15.409 1.00 0.00 O ATOM 1774 CB MET B 726 41.473 -12.709 15.693 1.00 0.00 C ATOM 1775 CG MET B 726 42.728 -12.392 16.501 1.00 0.00 C ATOM 1776 SD MET B 726 44.205 -13.328 16.008 1.00 0.00 S ATOM 1777 CE MET B 726 44.433 -12.768 14.298 1.00 0.00 C ATOM 0 H MET B 726 39.005 -12.003 14.542 1.00 0.00 H new ATOM 0 HA MET B 726 40.028 -12.513 17.282 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.379 -13.792 15.610 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.604 -12.322 14.683 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.942 -11.327 16.411 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.525 -12.588 17.554 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.345 -13.205 13.890 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.580 -13.081 13.696 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.512 -11.681 14.279 1.00 0.00 H new ATOM 1787 N SER B 727 40.516 -10.098 17.550 1.00 0.00 N ATOM 1788 CA SER B 727 40.501 -8.662 17.888 1.00 0.00 C ATOM 1789 C SER B 727 41.838 -7.952 17.618 1.00 0.00 C ATOM 1790 O SER B 727 42.870 -8.623 17.549 1.00 0.00 O ATOM 1791 CB SER B 727 40.123 -8.503 19.369 1.00 0.00 C ATOM 1792 OG SER B 727 38.772 -8.888 19.572 1.00 0.00 O ATOM 0 H SER B 727 40.832 -10.680 18.325 1.00 0.00 H new ATOM 0 HA SER B 727 39.765 -8.188 17.239 1.00 0.00 H new ATOM 0 HB2 SER B 727 40.780 -9.114 19.988 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.265 -7.468 19.679 1.00 0.00 H new ATOM 0 HG SER B 727 38.541 -8.785 20.519 1.00 0.00 H new ATOM 1798 N PRO B 728 41.865 -6.607 17.480 1.00 0.00 N ATOM 1799 CA PRO B 728 43.087 -5.834 17.221 1.00 0.00 C ATOM 1800 C PRO B 728 44.277 -6.139 18.146 1.00 0.00 C ATOM 1801 O PRO B 728 45.404 -6.242 17.668 1.00 0.00 O ATOM 1802 CB PRO B 728 42.675 -4.361 17.326 1.00 0.00 C ATOM 1803 CG PRO B 728 41.201 -4.383 16.937 1.00 0.00 C ATOM 1804 CD PRO B 728 40.717 -5.707 17.522 1.00 0.00 C ATOM 0 HA PRO B 728 43.467 -6.109 16.237 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.820 -3.973 18.334 1.00 0.00 H new ATOM 0 HB3 PRO B 728 43.259 -3.731 16.655 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.660 -3.534 17.355 1.00 0.00 H new ATOM 0 HG3 PRO B 728 41.067 -4.345 15.856 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.361 -5.576 18.544 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.885 -6.108 16.944 1.00 0.00 H new ATOM 1812 N GLU B 729 44.054 -6.312 19.455 1.00 0.00 N ATOM 1813 CA GLU B 729 45.139 -6.627 20.408 1.00 0.00 C ATOM 1814 C GLU B 729 45.749 -8.017 20.166 1.00 0.00 C ATOM 1815 O GLU B 729 46.965 -8.196 20.245 1.00 0.00 O ATOM 1816 CB GLU B 729 44.634 -6.541 21.855 1.00 0.00 C ATOM 1817 CG GLU B 729 44.433 -5.094 22.319 1.00 0.00 C ATOM 1818 CD GLU B 729 44.167 -5.041 23.834 1.00 0.00 C ATOM 1819 OE1 GLU B 729 45.125 -5.259 24.617 1.00 0.00 O ATOM 1820 OE2 GLU B 729 43.012 -4.777 24.249 1.00 0.00 O ATOM 0 H GLU B 729 43.132 -6.240 19.884 1.00 0.00 H new ATOM 0 HA GLU B 729 45.919 -5.883 20.244 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.691 -7.081 21.941 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.346 -7.036 22.515 1.00 0.00 H new ATOM 0 HG2 GLU B 729 45.317 -4.504 22.079 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.596 -4.647 21.782 1.00 0.00 H new ATOM 1827 N GLU B 730 44.914 -9.000 19.824 1.00 0.00 N ATOM 1828 CA GLU B 730 45.355 -10.353 19.478 1.00 0.00 C ATOM 1829 C GLU B 730 46.093 -10.315 18.132 1.00 0.00 C ATOM 1830 O GLU B 730 47.201 -10.833 18.016 1.00 0.00 O ATOM 1831 CB GLU B 730 44.143 -11.283 19.383 1.00 0.00 C ATOM 1832 CG GLU B 730 43.376 -11.452 20.697 1.00 0.00 C ATOM 1833 CD GLU B 730 42.120 -12.311 20.468 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.205 -11.854 19.742 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.046 -13.434 21.017 1.00 0.00 O ATOM 0 H GLU B 730 43.902 -8.878 19.779 1.00 0.00 H new ATOM 0 HA GLU B 730 46.028 -10.728 20.250 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.462 -10.897 18.625 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.477 -12.263 19.042 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.017 -11.922 21.443 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.092 -10.476 21.090 1.00 0.00 H new ATOM 1842 N PHE B 731 45.515 -9.643 17.131 1.00 0.00 N ATOM 1843 CA PHE B 731 46.132 -9.438 15.817 1.00 0.00 C ATOM 1844 C PHE B 731 47.516 -8.766 15.941 1.00 0.00 C ATOM 1845 O PHE B 731 48.456 -9.180 15.263 1.00 0.00 O ATOM 1846 CB PHE B 731 45.171 -8.629 14.932 1.00 0.00 C ATOM 1847 CG PHE B 731 45.660 -8.385 13.516 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.479 -7.273 13.233 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.290 -9.257 12.472 1.00 0.00 C ATOM 1850 CE1 PHE B 731 46.933 -7.043 11.922 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.739 -9.023 11.160 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.566 -7.921 10.886 1.00 0.00 C ATOM 0 H PHE B 731 44.591 -9.220 17.213 1.00 0.00 H new ATOM 0 HA PHE B 731 46.308 -10.405 15.346 1.00 0.00 H new ATOM 0 HB2 PHE B 731 44.215 -9.151 14.886 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.985 -7.666 15.408 1.00 0.00 H new ATOM 0 HD1 PHE B 731 46.759 -6.595 14.026 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.659 -10.108 12.681 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.564 -6.192 11.711 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.448 -9.691 10.363 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.920 -7.748 9.880 1.00 0.00 H new ATOM 1862 N ASP B 732 47.681 -7.778 16.831 1.00 0.00 N ATOM 1863 CA ASP B 732 48.976 -7.133 17.086 1.00 0.00 C ATOM 1864 C ASP B 732 50.000 -8.133 17.657 1.00 0.00 C ATOM 1865 O ASP B 732 51.137 -8.174 17.185 1.00 0.00 O ATOM 1866 CB ASP B 732 48.822 -5.934 18.041 1.00 0.00 C ATOM 1867 CG ASP B 732 48.233 -4.666 17.393 1.00 0.00 C ATOM 1868 OD1 ASP B 732 48.403 -4.449 16.167 1.00 0.00 O ATOM 1869 OD2 ASP B 732 47.670 -3.824 18.135 1.00 0.00 O ATOM 0 H ASP B 732 46.919 -7.403 17.395 1.00 0.00 H new ATOM 0 HA ASP B 732 49.348 -6.770 16.128 1.00 0.00 H new ATOM 0 HB2 ASP B 732 48.184 -6.230 18.874 1.00 0.00 H new ATOM 0 HB3 ASP B 732 49.799 -5.692 18.459 1.00 0.00 H new ATOM 1874 N GLU B 733 49.615 -8.976 18.622 1.00 0.00 N ATOM 1875 CA GLU B 733 50.490 -10.028 19.171 1.00 0.00 C ATOM 1876 C GLU B 733 50.820 -11.098 18.118 1.00 0.00 C ATOM 1877 O GLU B 733 51.928 -11.635 18.123 1.00 0.00 O ATOM 1878 CB GLU B 733 49.853 -10.630 20.436 1.00 0.00 C ATOM 1879 CG GLU B 733 50.775 -11.564 21.237 1.00 0.00 C ATOM 1880 CD GLU B 733 52.035 -10.877 21.802 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.044 -9.646 22.033 1.00 0.00 O ATOM 1882 OE2 GLU B 733 53.045 -11.575 22.058 1.00 0.00 O ATOM 0 H GLU B 733 48.688 -8.951 19.047 1.00 0.00 H new ATOM 0 HA GLU B 733 51.442 -9.579 19.454 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.529 -9.817 21.086 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.959 -11.183 20.148 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.209 -11.995 22.063 1.00 0.00 H new ATOM 0 HG3 GLU B 733 51.082 -12.390 20.596 1.00 0.00 H new ATOM 1889 N VAL B 734 49.919 -11.370 17.166 1.00 0.00 N ATOM 1890 CA VAL B 734 50.211 -12.258 16.037 1.00 0.00 C ATOM 1891 C VAL B 734 51.269 -11.601 15.141 1.00 0.00 C ATOM 1892 O VAL B 734 52.322 -12.196 14.902 1.00 0.00 O ATOM 1893 CB VAL B 734 48.937 -12.620 15.254 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.275 -13.310 13.937 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.987 -13.547 16.024 1.00 0.00 C ATOM 0 H VAL B 734 48.975 -10.984 17.157 1.00 0.00 H new ATOM 0 HA VAL B 734 50.609 -13.199 16.417 1.00 0.00 H new ATOM 0 HB VAL B 734 48.437 -11.667 15.083 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.354 -13.553 13.407 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.882 -12.645 13.323 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.831 -14.226 14.138 1.00 0.00 H new ATOM 0 HG21 VAL B 734 47.111 -13.760 15.412 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.500 -14.479 16.260 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.674 -13.061 16.948 1.00 0.00 H new ATOM 1905 N SER B 735 51.038 -10.365 14.684 1.00 0.00 N ATOM 1906 CA SER B 735 51.975 -9.602 13.842 1.00 0.00 C ATOM 1907 C SER B 735 53.353 -9.419 14.486 1.00 0.00 C ATOM 1908 O SER B 735 54.362 -9.466 13.780 1.00 0.00 O ATOM 1909 CB SER B 735 51.388 -8.232 13.488 1.00 0.00 C ATOM 1910 OG SER B 735 50.278 -8.395 12.621 1.00 0.00 O ATOM 0 H SER B 735 50.179 -9.855 14.891 1.00 0.00 H new ATOM 0 HA SER B 735 52.118 -10.192 12.937 1.00 0.00 H new ATOM 0 HB2 SER B 735 51.079 -7.713 14.395 1.00 0.00 H new ATOM 0 HB3 SER B 735 52.147 -7.613 13.009 1.00 0.00 H new ATOM 0 HG SER B 735 49.905 -7.517 12.399 1.00 0.00 H new ATOM 1916 N ARG B 736 53.423 -9.262 15.815 1.00 0.00 N ATOM 1917 CA ARG B 736 54.666 -9.141 16.600 1.00 0.00 C ATOM 1918 C ARG B 736 55.619 -10.320 16.356 1.00 0.00 C ATOM 1919 O ARG B 736 56.828 -10.111 16.243 1.00 0.00 O ATOM 1920 CB ARG B 736 54.267 -9.023 18.080 1.00 0.00 C ATOM 1921 CG ARG B 736 55.422 -8.825 19.067 1.00 0.00 C ATOM 1922 CD ARG B 736 54.838 -8.864 20.485 1.00 0.00 C ATOM 1923 NE ARG B 736 55.862 -8.691 21.529 1.00 0.00 N ATOM 1924 CZ ARG B 736 55.659 -8.852 22.824 1.00 0.00 C ATOM 1925 NH1 ARG B 736 54.514 -9.214 23.322 1.00 0.00 N ATOM 1926 NH2 ARG B 736 56.612 -8.660 23.688 1.00 0.00 N ATOM 0 H ARG B 736 52.587 -9.214 16.397 1.00 0.00 H new ATOM 0 HA ARG B 736 55.218 -8.254 16.289 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.576 -8.186 18.185 1.00 0.00 H new ATOM 0 HB3 ARG B 736 53.722 -9.924 18.363 1.00 0.00 H new ATOM 0 HG2 ARG B 736 56.171 -9.607 18.941 1.00 0.00 H new ATOM 0 HG3 ARG B 736 55.921 -7.873 18.885 1.00 0.00 H new ATOM 0 HD2 ARG B 736 54.087 -8.080 20.585 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.328 -9.815 20.637 1.00 0.00 H new ATOM 0 HE ARG B 736 56.800 -8.426 21.229 1.00 0.00 H new ATOM 0 HH11 ARG B 736 53.721 -9.387 22.704 1.00 0.00 H new ATOM 0 HH12 ARG B 736 54.409 -9.325 24.330 1.00 0.00 H new ATOM 0 HH21 ARG B 736 57.540 -8.379 23.370 1.00 0.00 H new ATOM 0 HH22 ARG B 736 56.432 -8.790 24.683 1.00 0.00 H new ATOM 1940 N ILE B 737 55.080 -11.540 16.254 1.00 0.00 N ATOM 1941 CA ILE B 737 55.861 -12.765 15.993 1.00 0.00 C ATOM 1942 C ILE B 737 55.992 -13.049 14.486 1.00 0.00 C ATOM 1943 O ILE B 737 57.088 -13.337 14.005 1.00 0.00 O ATOM 1944 CB ILE B 737 55.242 -13.996 16.694 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.907 -13.705 18.175 1.00 0.00 C ATOM 1946 CG2 ILE B 737 56.200 -15.202 16.580 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.372 -14.920 18.936 1.00 0.00 C ATOM 0 H ILE B 737 54.079 -11.712 16.351 1.00 0.00 H new ATOM 0 HA ILE B 737 56.855 -12.587 16.404 1.00 0.00 H new ATOM 0 HB ILE B 737 54.304 -14.233 16.192 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.804 -13.340 18.676 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.168 -12.905 18.221 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.758 -16.066 17.076 1.00 0.00 H new ATOM 0 HG22 ILE B 737 56.369 -15.434 15.529 1.00 0.00 H new ATOM 0 HG23 ILE B 737 57.150 -14.958 17.055 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.160 -14.639 19.967 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.457 -15.273 18.460 1.00 0.00 H new ATOM 0 HD13 ILE B 737 55.118 -15.715 18.923 1.00 0.00 H new ATOM 1959 N VAL B 738 54.881 -12.982 13.740 1.00 0.00 N ATOM 1960 CA VAL B 738 54.836 -13.276 12.291 1.00 0.00 C ATOM 1961 C VAL B 738 55.705 -12.312 11.470 1.00 0.00 C ATOM 1962 O VAL B 738 56.283 -12.700 10.457 1.00 0.00 O ATOM 1963 CB VAL B 738 53.378 -13.282 11.783 1.00 0.00 C ATOM 1964 CG1 VAL B 738 53.272 -13.538 10.275 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.581 -14.405 12.461 1.00 0.00 C ATOM 0 H VAL B 738 53.974 -12.719 14.126 1.00 0.00 H new ATOM 0 HA VAL B 738 55.257 -14.271 12.151 1.00 0.00 H new ATOM 0 HB VAL B 738 52.985 -12.293 12.018 1.00 0.00 H new ATOM 0 HG11 VAL B 738 52.223 -13.531 9.978 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.808 -12.758 9.735 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.709 -14.508 10.039 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.555 -14.397 12.093 1.00 0.00 H new ATOM 0 HG22 VAL B 738 53.041 -15.367 12.232 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.580 -14.250 13.540 1.00 0.00 H new ATOM 1975 N GLY B 739 55.812 -11.053 11.905 1.00 0.00 N ATOM 1976 CA GLY B 739 56.613 -10.000 11.261 1.00 0.00 C ATOM 1977 C GLY B 739 56.271 -9.722 9.787 1.00 0.00 C ATOM 1978 O GLY B 739 57.123 -9.238 9.039 1.00 0.00 O ATOM 0 H GLY B 739 55.329 -10.725 12.742 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.490 -9.076 11.826 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.666 -10.276 11.327 1.00 0.00 H new ATOM 1982 N SER B 740 55.040 -10.039 9.364 1.00 0.00 N ATOM 1983 CA SER B 740 54.503 -9.879 7.997 1.00 0.00 C ATOM 1984 C SER B 740 55.313 -10.549 6.864 1.00 0.00 C ATOM 1985 O SER B 740 55.112 -10.199 5.701 1.00 0.00 O ATOM 1986 CB SER B 740 54.233 -8.396 7.694 1.00 0.00 C ATOM 1987 OG SER B 740 53.398 -7.818 8.689 1.00 0.00 O ATOM 0 H SER B 740 54.349 -10.437 10.000 1.00 0.00 H new ATOM 0 HA SER B 740 53.566 -10.435 8.003 1.00 0.00 H new ATOM 0 HB2 SER B 740 55.177 -7.853 7.646 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.760 -8.301 6.717 1.00 0.00 H new ATOM 0 HG SER B 740 53.241 -6.874 8.477 1.00 0.00 H new ATOM 1993 N VAL B 741 56.195 -11.511 7.191 1.00 0.00 N ATOM 1994 CA VAL B 741 57.089 -12.320 6.318 1.00 0.00 C ATOM 1995 C VAL B 741 56.935 -12.117 4.798 1.00 0.00 C ATOM 1996 O VAL B 741 57.782 -11.478 4.174 1.00 0.00 O ATOM 1997 CB VAL B 741 57.014 -13.828 6.680 1.00 0.00 C ATOM 1998 CG1 VAL B 741 58.041 -14.167 7.763 1.00 0.00 C ATOM 1999 CG2 VAL B 741 55.626 -14.298 7.162 1.00 0.00 C ATOM 0 H VAL B 741 56.318 -11.773 8.169 1.00 0.00 H new ATOM 0 HA VAL B 741 58.082 -11.928 6.539 1.00 0.00 H new ATOM 0 HB VAL B 741 57.227 -14.354 5.750 1.00 0.00 H new ATOM 0 HG11 VAL B 741 57.977 -15.228 8.006 1.00 0.00 H new ATOM 0 HG12 VAL B 741 59.043 -13.938 7.399 1.00 0.00 H new ATOM 0 HG13 VAL B 741 57.836 -13.577 8.656 1.00 0.00 H new ATOM 0 HG21 VAL B 741 55.662 -15.363 7.393 1.00 0.00 H new ATOM 0 HG22 VAL B 741 55.344 -13.742 8.056 1.00 0.00 H new ATOM 0 HG23 VAL B 741 54.890 -14.122 6.378 1.00 0.00 H new ATOM 2009 N GLU B 742 55.845 -12.619 4.211 1.00 0.00 N ATOM 2010 CA GLU B 742 55.468 -12.483 2.787 1.00 0.00 C ATOM 2011 C GLU B 742 53.931 -12.374 2.668 1.00 0.00 C ATOM 2012 O GLU B 742 53.314 -12.832 1.711 1.00 0.00 O ATOM 2013 CB GLU B 742 55.985 -13.688 1.980 1.00 0.00 C ATOM 2014 CG GLU B 742 57.512 -13.834 1.947 1.00 0.00 C ATOM 2015 CD GLU B 742 57.918 -14.833 0.853 1.00 0.00 C ATOM 2016 OE1 GLU B 742 57.873 -16.063 1.091 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.182 -14.408 -0.297 1.00 0.00 O ATOM 0 H GLU B 742 55.160 -13.161 4.738 1.00 0.00 H new ATOM 0 HA GLU B 742 55.922 -11.579 2.381 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.556 -14.598 2.399 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.620 -13.605 0.956 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.975 -12.865 1.757 1.00 0.00 H new ATOM 0 HG3 GLU B 742 57.874 -14.176 2.916 1.00 0.00 H new ATOM 2024 N PHE B 743 53.308 -11.838 3.718 1.00 0.00 N ATOM 2025 CA PHE B 743 51.875 -11.772 3.997 1.00 0.00 C ATOM 2026 C PHE B 743 50.912 -11.440 2.837 1.00 0.00 C ATOM 2027 O PHE B 743 49.878 -12.091 2.688 1.00 0.00 O ATOM 2028 CB PHE B 743 51.723 -10.817 5.183 1.00 0.00 C ATOM 2029 CG PHE B 743 50.499 -11.022 6.039 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.203 -12.296 6.565 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.725 -9.907 6.406 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.139 -12.435 7.468 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.649 -10.061 7.295 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.351 -11.327 7.816 1.00 0.00 C ATOM 0 H PHE B 743 53.846 -11.398 4.464 1.00 0.00 H new ATOM 0 HA PHE B 743 51.545 -12.789 4.211 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.605 -10.911 5.816 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.710 -9.795 4.803 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.789 -13.156 6.276 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.958 -8.932 6.004 1.00 0.00 H new ATOM 0 HE1 PHE B 743 48.924 -13.402 7.899 1.00 0.00 H new ATOM 0 HE2 PHE B 743 48.053 -9.206 7.576 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.513 -11.450 8.487 1.00 0.00 H new ATOM 2044 N ASP B 744 51.233 -10.472 1.977 1.00 0.00 N ATOM 2045 CA ASP B 744 50.421 -10.116 0.795 1.00 0.00 C ATOM 2046 C ASP B 744 50.576 -11.110 -0.386 1.00 0.00 C ATOM 2047 O ASP B 744 49.996 -10.915 -1.456 1.00 0.00 O ATOM 2048 CB ASP B 744 50.729 -8.668 0.378 1.00 0.00 C ATOM 2049 CG ASP B 744 52.197 -8.479 -0.047 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.083 -8.470 0.840 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.471 -8.332 -1.262 1.00 0.00 O ATOM 0 H ASP B 744 52.073 -9.902 2.076 1.00 0.00 H new ATOM 0 HA ASP B 744 49.372 -10.190 1.082 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.075 -8.383 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP B 744 50.505 -7.998 1.208 1.00 0.00 H new ATOM 2056 N SER B 745 51.357 -12.178 -0.190 1.00 0.00 N ATOM 2057 CA SER B 745 51.690 -13.240 -1.152 1.00 0.00 C ATOM 2058 C SER B 745 51.355 -14.653 -0.621 1.00 0.00 C ATOM 2059 O SER B 745 51.675 -15.652 -1.267 1.00 0.00 O ATOM 2060 CB SER B 745 53.179 -13.094 -1.517 1.00 0.00 C ATOM 2061 OG SER B 745 53.517 -13.705 -2.754 1.00 0.00 O ATOM 0 H SER B 745 51.807 -12.336 0.711 1.00 0.00 H new ATOM 0 HA SER B 745 51.075 -13.126 -2.045 1.00 0.00 H new ATOM 0 HB2 SER B 745 53.433 -12.035 -1.562 1.00 0.00 H new ATOM 0 HB3 SER B 745 53.785 -13.534 -0.725 1.00 0.00 H new ATOM 0 HG SER B 745 53.045 -14.560 -2.836 1.00 0.00 H new ATOM 2067 N MET B 746 50.680 -14.784 0.534 1.00 0.00 N ATOM 2068 CA MET B 746 50.272 -16.090 1.099 1.00 0.00 C ATOM 2069 C MET B 746 49.362 -16.895 0.145 1.00 0.00 C ATOM 2070 O MET B 746 49.445 -18.122 0.100 1.00 0.00 O ATOM 2071 CB MET B 746 49.600 -15.915 2.469 1.00 0.00 C ATOM 2072 CG MET B 746 50.498 -15.327 3.577 1.00 0.00 C ATOM 2073 SD MET B 746 52.314 -15.409 3.443 1.00 0.00 S ATOM 2074 CE MET B 746 52.595 -17.182 3.280 1.00 0.00 C ATOM 0 H MET B 746 50.399 -13.988 1.106 1.00 0.00 H new ATOM 0 HA MET B 746 51.187 -16.669 1.230 1.00 0.00 H new ATOM 0 HB2 MET B 746 48.731 -15.269 2.348 1.00 0.00 H new ATOM 0 HB3 MET B 746 49.232 -16.886 2.801 1.00 0.00 H new ATOM 0 HG2 MET B 746 50.231 -14.275 3.682 1.00 0.00 H new ATOM 0 HG3 MET B 746 50.222 -15.820 4.509 1.00 0.00 H new ATOM 0 HE1 MET B 746 53.144 -17.545 4.149 1.00 0.00 H new ATOM 0 HE2 MET B 746 51.637 -17.698 3.215 1.00 0.00 H new ATOM 0 HE3 MET B 746 53.174 -17.377 2.377 1.00 0.00 H new