USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 744 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -119:sc= 2.1 (180deg=-0.115) USER MOD Set 2.2: A 72 TYR OH : rot 180:sc= 0.521 USER MOD Single : A 9 THR OG1 : rot -164:sc= 0.73 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00725 USER MOD Single : A 12 GLN : amide:sc= -0.809 K(o=-0.81,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0.272 (180deg=0.148) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= 0.929 (180deg=0.776) USER MOD Single : A 20 LYS NZ :NH3+ 158:sc= 1.04 (180deg=0.699) USER MOD Single : A 23 GLN : amide:sc= -1.15 K(o=-1.2,f=-3!) USER MOD Single : A 30 THR OG1 : rot -7:sc= 0.141 USER MOD Single : A 31 THR OG1 : rot -59:sc= 0.101 USER MOD Single : A 36 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00608) USER MOD Single : A 37 GLN : amide:sc= -0.211 K(o=-0.21,f=-3.6!) USER MOD Single : A 40 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0338) USER MOD Single : A 43 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.17) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -136:sc= 1.1 (180deg=0.102) USER MOD Single : A 48 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.5) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -133:sc= -0.428 (180deg=-2.4!) USER MOD Single : A 61 GLN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0057) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.408 X(o=0.41,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 70 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.3) USER MOD Single : A 77 ASN : amide:sc= -2.23 K(o=-2.2,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.034) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= -1.09 (180deg=-2.81!) USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 2.723 10.337 -5.882 1.00 4.43 N ATOM 28 CA ARG A 3 1.577 9.384 -5.905 1.00 51.02 C ATOM 29 C ARG A 3 1.461 8.525 -4.628 1.00 5.12 C ATOM 30 O ARG A 3 2.478 8.146 -4.041 1.00 11.22 O ATOM 31 CB ARG A 3 1.727 8.454 -7.135 1.00 63.20 C ATOM 32 CG ARG A 3 0.566 7.453 -7.353 1.00 51.51 C ATOM 33 CD ARG A 3 0.779 6.571 -8.586 1.00 54.32 C ATOM 34 NE ARG A 3 0.897 7.366 -9.826 1.00 74.30 N ATOM 35 CZ ARG A 3 0.582 6.938 -11.054 1.00 34.55 C ATOM 36 NH1 ARG A 3 0.115 5.710 -11.255 1.00 1.45 N ATOM 37 NH2 ARG A 3 0.714 7.758 -12.084 1.00 54.14 N ATOM 0 HA ARG A 3 0.666 9.980 -5.961 1.00 51.02 H new ATOM 0 HB2 ARG A 3 1.824 9.072 -8.027 1.00 63.20 H new ATOM 0 HB3 ARG A 3 2.655 7.892 -7.034 1.00 63.20 H new ATOM 0 HG2 ARG A 3 0.465 6.821 -6.471 1.00 51.51 H new ATOM 0 HG3 ARG A 3 -0.369 8.003 -7.460 1.00 51.51 H new ATOM 0 HD2 ARG A 3 1.681 5.974 -8.452 1.00 54.32 H new ATOM 0 HD3 ARG A 3 -0.054 5.874 -8.681 1.00 54.32 H new ATOM 0 HE ARG A 3 1.248 8.320 -9.739 1.00 74.30 H new ATOM 0 HH11 ARG A 3 -0.009 5.076 -10.466 1.00 1.45 H new ATOM 0 HH12 ARG A 3 -0.120 5.402 -12.199 1.00 1.45 H new ATOM 0 HH21 ARG A 3 1.054 8.709 -11.939 1.00 54.14 H new ATOM 0 HH22 ARG A 3 0.476 7.439 -13.023 1.00 54.14 H new ATOM 51 N LEU A 4 0.207 8.228 -4.220 1.00 65.35 N ATOM 52 CA LEU A 4 -0.089 7.299 -3.116 1.00 24.10 C ATOM 53 C LEU A 4 -0.757 6.028 -3.668 1.00 50.51 C ATOM 54 O LEU A 4 -1.770 6.111 -4.377 1.00 34.25 O ATOM 55 CB LEU A 4 -1.022 7.951 -2.069 1.00 24.45 C ATOM 56 CG LEU A 4 -1.174 7.177 -0.720 1.00 53.22 C ATOM 57 CD1 LEU A 4 0.161 7.164 0.052 1.00 43.52 C ATOM 58 CD2 LEU A 4 -2.320 7.749 0.143 1.00 3.43 C ATOM 0 H LEU A 4 -0.627 8.628 -4.650 1.00 65.35 H new ATOM 0 HA LEU A 4 0.853 7.044 -2.630 1.00 24.10 H new ATOM 0 HB2 LEU A 4 -0.650 8.952 -1.852 1.00 24.45 H new ATOM 0 HB3 LEU A 4 -2.011 8.067 -2.513 1.00 24.45 H new ATOM 0 HG LEU A 4 -1.440 6.146 -0.956 1.00 53.22 H new ATOM 0 HD11 LEU A 4 0.035 6.620 0.988 1.00 43.52 H new ATOM 0 HD12 LEU A 4 0.925 6.674 -0.551 1.00 43.52 H new ATOM 0 HD13 LEU A 4 0.468 8.188 0.265 1.00 43.52 H new ATOM 0 HD21 LEU A 4 -2.393 7.184 1.072 1.00 3.43 H new ATOM 0 HD22 LEU A 4 -2.117 8.796 0.370 1.00 3.43 H new ATOM 0 HD23 LEU A 4 -3.260 7.672 -0.403 1.00 3.43 H new ATOM 70 N VAL A 5 -0.173 4.865 -3.342 1.00 74.23 N ATOM 71 CA VAL A 5 -0.763 3.543 -3.628 1.00 35.32 C ATOM 72 C VAL A 5 -0.824 2.748 -2.317 1.00 71.33 C ATOM 73 O VAL A 5 0.194 2.559 -1.650 1.00 23.52 O ATOM 74 CB VAL A 5 0.039 2.747 -4.731 1.00 34.54 C ATOM 75 CG1 VAL A 5 -0.499 1.299 -4.903 1.00 2.33 C ATOM 76 CG2 VAL A 5 0.004 3.504 -6.082 1.00 5.05 C ATOM 0 H VAL A 5 0.729 4.812 -2.869 1.00 74.23 H new ATOM 0 HA VAL A 5 -1.765 3.689 -4.032 1.00 35.32 H new ATOM 0 HB VAL A 5 1.074 2.675 -4.395 1.00 34.54 H new ATOM 0 HG11 VAL A 5 0.079 0.785 -5.671 1.00 2.33 H new ATOM 0 HG12 VAL A 5 -0.407 0.762 -3.959 1.00 2.33 H new ATOM 0 HG13 VAL A 5 -1.547 1.333 -5.200 1.00 2.33 H new ATOM 0 HG21 VAL A 5 0.562 2.940 -6.830 1.00 5.05 H new ATOM 0 HG22 VAL A 5 -1.030 3.617 -6.409 1.00 5.05 H new ATOM 0 HG23 VAL A 5 0.455 4.489 -5.959 1.00 5.05 H new ATOM 86 N VAL A 6 -2.031 2.296 -1.963 1.00 13.41 N ATOM 87 CA VAL A 6 -2.302 1.579 -0.721 1.00 1.42 C ATOM 88 C VAL A 6 -2.290 0.070 -0.992 1.00 62.31 C ATOM 89 O VAL A 6 -3.197 -0.468 -1.630 1.00 62.20 O ATOM 90 CB VAL A 6 -3.684 2.005 -0.111 1.00 22.12 C ATOM 91 CG1 VAL A 6 -3.945 1.290 1.240 1.00 73.20 C ATOM 92 CG2 VAL A 6 -3.766 3.548 0.035 1.00 53.21 C ATOM 0 H VAL A 6 -2.859 2.422 -2.545 1.00 13.41 H new ATOM 0 HA VAL A 6 -1.525 1.829 0.002 1.00 1.42 H new ATOM 0 HB VAL A 6 -4.470 1.693 -0.799 1.00 22.12 H new ATOM 0 HG11 VAL A 6 -4.910 1.605 1.638 1.00 73.20 H new ATOM 0 HG12 VAL A 6 -3.951 0.211 1.085 1.00 73.20 H new ATOM 0 HG13 VAL A 6 -3.158 1.551 1.948 1.00 73.20 H new ATOM 0 HG21 VAL A 6 -4.732 3.822 0.460 1.00 53.21 H new ATOM 0 HG22 VAL A 6 -2.969 3.894 0.693 1.00 53.21 H new ATOM 0 HG23 VAL A 6 -3.655 4.013 -0.945 1.00 53.21 H new ATOM 102 N VAL A 7 -1.226 -0.586 -0.554 1.00 2.22 N ATOM 103 CA VAL A 7 -1.090 -2.037 -0.616 1.00 64.21 C ATOM 104 C VAL A 7 -1.736 -2.657 0.634 1.00 2.30 C ATOM 105 O VAL A 7 -1.420 -2.273 1.767 1.00 20.24 O ATOM 106 CB VAL A 7 0.414 -2.451 -0.704 1.00 21.45 C ATOM 107 CG1 VAL A 7 0.582 -3.973 -0.923 1.00 31.01 C ATOM 108 CG2 VAL A 7 1.152 -1.634 -1.788 1.00 71.31 C ATOM 0 H VAL A 7 -0.419 -0.120 -0.139 1.00 2.22 H new ATOM 0 HA VAL A 7 -1.593 -2.403 -1.511 1.00 64.21 H new ATOM 0 HB VAL A 7 0.874 -2.219 0.257 1.00 21.45 H new ATOM 0 HG11 VAL A 7 1.643 -4.218 -0.978 1.00 31.01 H new ATOM 0 HG12 VAL A 7 0.128 -4.512 -0.092 1.00 31.01 H new ATOM 0 HG13 VAL A 7 0.094 -4.263 -1.853 1.00 31.01 H new ATOM 0 HG21 VAL A 7 2.197 -1.942 -1.828 1.00 71.31 H new ATOM 0 HG22 VAL A 7 0.685 -1.809 -2.757 1.00 71.31 H new ATOM 0 HG23 VAL A 7 1.096 -0.573 -1.545 1.00 71.31 H new ATOM 118 N VAL A 8 -2.632 -3.608 0.401 1.00 44.14 N ATOM 119 CA VAL A 8 -3.394 -4.311 1.436 1.00 1.22 C ATOM 120 C VAL A 8 -3.173 -5.818 1.262 1.00 64.34 C ATOM 121 O VAL A 8 -2.821 -6.276 0.169 1.00 32.04 O ATOM 122 CB VAL A 8 -4.930 -3.980 1.317 1.00 51.32 C ATOM 123 CG1 VAL A 8 -5.215 -2.479 1.604 1.00 62.23 C ATOM 124 CG2 VAL A 8 -5.474 -4.389 -0.078 1.00 53.32 C ATOM 0 H VAL A 8 -2.858 -3.924 -0.542 1.00 44.14 H new ATOM 0 HA VAL A 8 -3.053 -3.989 2.420 1.00 1.22 H new ATOM 0 HB VAL A 8 -5.453 -4.564 2.075 1.00 51.32 H new ATOM 0 HG11 VAL A 8 -6.284 -2.288 1.513 1.00 62.23 H new ATOM 0 HG12 VAL A 8 -4.887 -2.233 2.614 1.00 62.23 H new ATOM 0 HG13 VAL A 8 -4.674 -1.862 0.887 1.00 62.23 H new ATOM 0 HG21 VAL A 8 -6.536 -4.152 -0.138 1.00 53.32 H new ATOM 0 HG22 VAL A 8 -4.936 -3.843 -0.853 1.00 53.32 H new ATOM 0 HG23 VAL A 8 -5.333 -5.460 -0.224 1.00 53.32 H new ATOM 134 N THR A 9 -3.364 -6.582 2.339 1.00 44.22 N ATOM 135 CA THR A 9 -3.257 -8.052 2.303 1.00 43.33 C ATOM 136 C THR A 9 -4.636 -8.734 2.393 1.00 22.34 C ATOM 137 O THR A 9 -4.729 -9.966 2.329 1.00 62.25 O ATOM 138 CB THR A 9 -2.311 -8.559 3.439 1.00 63.10 C ATOM 139 OG1 THR A 9 -2.676 -7.920 4.675 1.00 2.30 O ATOM 140 CG2 THR A 9 -0.817 -8.291 3.126 1.00 23.00 C ATOM 0 H THR A 9 -3.596 -6.207 3.259 1.00 44.22 H new ATOM 0 HA THR A 9 -2.826 -8.326 1.340 1.00 43.33 H new ATOM 0 HB THR A 9 -2.431 -9.639 3.519 1.00 63.10 H new ATOM 0 HG1 THR A 9 -1.954 -8.033 5.327 1.00 2.30 H new ATOM 0 HG21 THR A 9 -0.201 -8.662 3.946 1.00 23.00 H new ATOM 0 HG22 THR A 9 -0.541 -8.803 2.204 1.00 23.00 H new ATOM 0 HG23 THR A 9 -0.657 -7.219 3.008 1.00 23.00 H new ATOM 148 N SER A 10 -5.711 -7.936 2.492 1.00 4.22 N ATOM 149 CA SER A 10 -7.082 -8.450 2.645 1.00 74.23 C ATOM 150 C SER A 10 -8.017 -7.743 1.668 1.00 63.43 C ATOM 151 O SER A 10 -7.859 -6.546 1.410 1.00 1.34 O ATOM 152 CB SER A 10 -7.567 -8.231 4.091 1.00 3.52 C ATOM 153 OG SER A 10 -8.927 -8.610 4.250 1.00 3.34 O ATOM 0 H SER A 10 -5.655 -6.918 2.468 1.00 4.22 H new ATOM 0 HA SER A 10 -7.086 -9.518 2.428 1.00 74.23 H new ATOM 0 HB2 SER A 10 -6.945 -8.809 4.775 1.00 3.52 H new ATOM 0 HB3 SER A 10 -7.447 -7.182 4.360 1.00 3.52 H new ATOM 0 HG SER A 10 -9.202 -8.460 5.179 1.00 3.34 H new ATOM 159 N GLU A 11 -8.979 -8.512 1.125 1.00 40.44 N ATOM 160 CA GLU A 11 -10.056 -7.996 0.261 1.00 60.14 C ATOM 161 C GLU A 11 -10.972 -7.027 1.044 1.00 53.54 C ATOM 162 O GLU A 11 -11.493 -6.069 0.474 1.00 15.41 O ATOM 163 CB GLU A 11 -10.873 -9.183 -0.326 1.00 64.52 C ATOM 164 CG GLU A 11 -12.087 -8.793 -1.207 1.00 63.12 C ATOM 165 CD GLU A 11 -11.714 -7.923 -2.420 1.00 10.34 C ATOM 166 OE1 GLU A 11 -11.116 -8.452 -3.380 1.00 24.35 O ATOM 167 OE2 GLU A 11 -12.032 -6.705 -2.432 1.00 62.11 O ATOM 0 H GLU A 11 -9.030 -9.519 1.276 1.00 40.44 H new ATOM 0 HA GLU A 11 -9.611 -7.437 -0.562 1.00 60.14 H new ATOM 0 HB2 GLU A 11 -10.202 -9.804 -0.919 1.00 64.52 H new ATOM 0 HB3 GLU A 11 -11.230 -9.798 0.500 1.00 64.52 H new ATOM 0 HG2 GLU A 11 -12.577 -9.701 -1.559 1.00 63.12 H new ATOM 0 HG3 GLU A 11 -12.812 -8.257 -0.595 1.00 63.12 H new ATOM 174 N GLN A 12 -11.142 -7.288 2.356 1.00 20.24 N ATOM 175 CA GLN A 12 -11.947 -6.430 3.258 1.00 24.22 C ATOM 176 C GLN A 12 -11.281 -5.035 3.393 1.00 41.02 C ATOM 177 O GLN A 12 -11.964 -4.009 3.455 1.00 2.20 O ATOM 178 CB GLN A 12 -12.119 -7.155 4.634 1.00 71.32 C ATOM 179 CG GLN A 12 -13.170 -6.549 5.616 1.00 14.20 C ATOM 180 CD GLN A 12 -12.737 -5.255 6.336 1.00 34.31 C ATOM 181 OE1 GLN A 12 -13.564 -4.390 6.633 1.00 33.12 O ATOM 182 NE2 GLN A 12 -11.457 -5.132 6.671 1.00 2.31 N ATOM 0 H GLN A 12 -10.728 -8.096 2.822 1.00 20.24 H new ATOM 0 HA GLN A 12 -12.942 -6.265 2.845 1.00 24.22 H new ATOM 0 HB2 GLN A 12 -12.392 -8.193 4.441 1.00 71.32 H new ATOM 0 HB3 GLN A 12 -11.151 -7.168 5.136 1.00 71.32 H new ATOM 0 HG2 GLN A 12 -14.086 -6.346 5.061 1.00 14.20 H new ATOM 0 HG3 GLN A 12 -13.413 -7.299 6.369 1.00 14.20 H new ATOM 0 HE21 GLN A 12 -10.790 -5.860 6.415 1.00 2.31 H new ATOM 0 HE22 GLN A 12 -11.141 -4.309 7.184 1.00 2.31 H new ATOM 191 N LEU A 13 -9.935 -5.021 3.430 1.00 65.00 N ATOM 192 CA LEU A 13 -9.139 -3.772 3.453 1.00 55.11 C ATOM 193 C LEU A 13 -9.111 -3.099 2.061 1.00 74.12 C ATOM 194 O LEU A 13 -9.092 -1.872 1.954 1.00 41.24 O ATOM 195 CB LEU A 13 -7.691 -4.071 3.917 1.00 4.44 C ATOM 196 CG LEU A 13 -7.529 -4.651 5.355 1.00 23.24 C ATOM 197 CD1 LEU A 13 -6.049 -4.992 5.646 1.00 3.03 C ATOM 198 CD2 LEU A 13 -8.112 -3.692 6.423 1.00 33.34 C ATOM 0 H LEU A 13 -9.368 -5.869 3.445 1.00 65.00 H new ATOM 0 HA LEU A 13 -9.613 -3.087 4.156 1.00 55.11 H new ATOM 0 HB2 LEU A 13 -7.245 -4.774 3.213 1.00 4.44 H new ATOM 0 HB3 LEU A 13 -7.115 -3.148 3.854 1.00 4.44 H new ATOM 0 HG LEU A 13 -8.102 -5.577 5.409 1.00 23.24 H new ATOM 0 HD11 LEU A 13 -5.960 -5.395 6.655 1.00 3.03 H new ATOM 0 HD12 LEU A 13 -5.698 -5.732 4.927 1.00 3.03 H new ATOM 0 HD13 LEU A 13 -5.444 -4.089 5.561 1.00 3.03 H new ATOM 0 HD21 LEU A 13 -7.982 -4.128 7.413 1.00 33.34 H new ATOM 0 HD22 LEU A 13 -7.591 -2.736 6.376 1.00 33.34 H new ATOM 0 HD23 LEU A 13 -9.174 -3.537 6.232 1.00 33.34 H new ATOM 210 N LYS A 14 -9.093 -3.932 1.008 1.00 22.30 N ATOM 211 CA LYS A 14 -9.043 -3.490 -0.399 1.00 31.04 C ATOM 212 C LYS A 14 -10.285 -2.668 -0.760 1.00 51.44 C ATOM 213 O LYS A 14 -10.175 -1.525 -1.232 1.00 33.34 O ATOM 214 CB LYS A 14 -8.918 -4.734 -1.314 1.00 43.24 C ATOM 215 CG LYS A 14 -8.974 -4.468 -2.834 1.00 63.43 C ATOM 216 CD LYS A 14 -8.985 -5.788 -3.637 1.00 34.23 C ATOM 217 CE LYS A 14 -9.453 -5.629 -5.088 1.00 54.44 C ATOM 218 NZ LYS A 14 -9.687 -6.948 -5.727 1.00 65.54 N ATOM 0 H LYS A 14 -9.113 -4.947 1.109 1.00 22.30 H new ATOM 0 HA LYS A 14 -8.175 -2.847 -0.544 1.00 31.04 H new ATOM 0 HB2 LYS A 14 -7.976 -5.233 -1.088 1.00 43.24 H new ATOM 0 HB3 LYS A 14 -9.717 -5.430 -1.058 1.00 43.24 H new ATOM 0 HG2 LYS A 14 -9.866 -3.889 -3.071 1.00 63.43 H new ATOM 0 HG3 LYS A 14 -8.115 -3.866 -3.132 1.00 63.43 H new ATOM 0 HD2 LYS A 14 -7.981 -6.212 -3.634 1.00 34.23 H new ATOM 0 HD3 LYS A 14 -9.635 -6.503 -3.132 1.00 34.23 H new ATOM 0 HE2 LYS A 14 -10.371 -5.042 -5.114 1.00 54.44 H new ATOM 0 HE3 LYS A 14 -8.705 -5.075 -5.655 1.00 54.44 H new ATOM 0 HZ1 LYS A 14 -10.292 -6.826 -6.564 1.00 65.54 H new ATOM 0 HZ2 LYS A 14 -8.777 -7.361 -6.015 1.00 65.54 H new ATOM 0 HZ3 LYS A 14 -10.156 -7.583 -5.050 1.00 65.54 H new ATOM 232 N GLU A 15 -11.466 -3.269 -0.512 1.00 45.42 N ATOM 233 CA GLU A 15 -12.759 -2.627 -0.757 1.00 52.12 C ATOM 234 C GLU A 15 -12.893 -1.361 0.092 1.00 62.41 C ATOM 235 O GLU A 15 -13.424 -0.382 -0.388 1.00 74.42 O ATOM 236 CB GLU A 15 -13.946 -3.584 -0.470 1.00 73.03 C ATOM 237 CG GLU A 15 -14.040 -4.089 0.986 1.00 71.23 C ATOM 238 CD GLU A 15 -15.385 -4.734 1.328 1.00 65.14 C ATOM 239 OE1 GLU A 15 -15.568 -5.939 1.084 1.00 53.44 O ATOM 240 OE2 GLU A 15 -16.277 -4.035 1.845 1.00 4.11 O ATOM 0 H GLU A 15 -11.543 -4.214 -0.136 1.00 45.42 H new ATOM 0 HA GLU A 15 -12.794 -2.362 -1.814 1.00 52.12 H new ATOM 0 HB2 GLU A 15 -14.875 -3.072 -0.722 1.00 73.03 H new ATOM 0 HB3 GLU A 15 -13.867 -4.446 -1.133 1.00 73.03 H new ATOM 0 HG2 GLU A 15 -13.245 -4.813 1.162 1.00 71.23 H new ATOM 0 HG3 GLU A 15 -13.865 -3.253 1.663 1.00 71.23 H new ATOM 247 N GLU A 16 -12.370 -1.409 1.341 1.00 22.12 N ATOM 248 CA GLU A 16 -12.418 -0.291 2.302 1.00 51.55 C ATOM 249 C GLU A 16 -11.808 0.991 1.710 1.00 75.42 C ATOM 250 O GLU A 16 -12.471 2.034 1.640 1.00 14.22 O ATOM 251 CB GLU A 16 -11.652 -0.687 3.598 1.00 21.13 C ATOM 252 CG GLU A 16 -11.495 0.433 4.658 1.00 33.42 C ATOM 253 CD GLU A 16 -12.820 0.826 5.327 1.00 61.13 C ATOM 254 OE1 GLU A 16 -13.588 1.620 4.746 1.00 43.23 O ATOM 255 OE2 GLU A 16 -13.111 0.324 6.430 1.00 14.32 O ATOM 0 H GLU A 16 -11.899 -2.236 1.709 1.00 22.12 H new ATOM 0 HA GLU A 16 -13.464 -0.088 2.533 1.00 51.55 H new ATOM 0 HB2 GLU A 16 -12.168 -1.528 4.060 1.00 21.13 H new ATOM 0 HB3 GLU A 16 -10.659 -1.038 3.318 1.00 21.13 H new ATOM 0 HG2 GLU A 16 -10.793 0.103 5.424 1.00 33.42 H new ATOM 0 HG3 GLU A 16 -11.060 1.313 4.185 1.00 33.42 H new ATOM 262 N VAL A 17 -10.535 0.884 1.291 1.00 64.14 N ATOM 263 CA VAL A 17 -9.775 2.018 0.744 1.00 24.24 C ATOM 264 C VAL A 17 -10.402 2.529 -0.574 1.00 24.22 C ATOM 265 O VAL A 17 -10.460 3.735 -0.794 1.00 65.33 O ATOM 266 CB VAL A 17 -8.264 1.646 0.529 1.00 70.20 C ATOM 267 CG1 VAL A 17 -7.450 2.870 0.031 1.00 30.24 C ATOM 268 CG2 VAL A 17 -7.649 1.062 1.829 1.00 52.03 C ATOM 0 H VAL A 17 -10.007 0.012 1.322 1.00 64.14 H new ATOM 0 HA VAL A 17 -9.822 2.823 1.477 1.00 24.24 H new ATOM 0 HB VAL A 17 -8.215 0.879 -0.244 1.00 70.20 H new ATOM 0 HG11 VAL A 17 -6.408 2.582 -0.109 1.00 30.24 H new ATOM 0 HG12 VAL A 17 -7.860 3.219 -0.917 1.00 30.24 H new ATOM 0 HG13 VAL A 17 -7.509 3.671 0.768 1.00 30.24 H new ATOM 0 HG21 VAL A 17 -6.602 0.812 1.656 1.00 52.03 H new ATOM 0 HG22 VAL A 17 -7.718 1.800 2.628 1.00 52.03 H new ATOM 0 HG23 VAL A 17 -8.194 0.163 2.117 1.00 52.03 H new ATOM 278 N ARG A 18 -10.891 1.598 -1.421 1.00 32.45 N ATOM 279 CA ARG A 18 -11.584 1.947 -2.688 1.00 40.21 C ATOM 280 C ARG A 18 -12.955 2.621 -2.427 1.00 65.42 C ATOM 281 O ARG A 18 -13.395 3.469 -3.209 1.00 52.11 O ATOM 282 CB ARG A 18 -11.772 0.677 -3.564 1.00 15.23 C ATOM 283 CG ARG A 18 -10.455 0.046 -4.066 1.00 54.25 C ATOM 284 CD ARG A 18 -10.679 -1.222 -4.910 1.00 14.00 C ATOM 285 NE ARG A 18 -11.298 -2.321 -4.129 1.00 71.35 N ATOM 286 CZ ARG A 18 -12.225 -3.181 -4.589 1.00 10.51 C ATOM 287 NH1 ARG A 18 -12.692 -3.086 -5.830 1.00 5.11 N ATOM 288 NH2 ARG A 18 -12.662 -4.160 -3.813 1.00 3.02 N ATOM 0 H ARG A 18 -10.820 0.594 -1.253 1.00 32.45 H new ATOM 0 HA ARG A 18 -10.958 2.664 -3.219 1.00 40.21 H new ATOM 0 HB2 ARG A 18 -12.321 -0.068 -2.988 1.00 15.23 H new ATOM 0 HB3 ARG A 18 -12.389 0.933 -4.425 1.00 15.23 H new ATOM 0 HG2 ARG A 18 -9.910 0.780 -4.660 1.00 54.25 H new ATOM 0 HG3 ARG A 18 -9.827 -0.200 -3.210 1.00 54.25 H new ATOM 0 HD2 ARG A 18 -11.317 -0.981 -5.760 1.00 14.00 H new ATOM 0 HD3 ARG A 18 -9.724 -1.560 -5.313 1.00 14.00 H new ATOM 0 HE ARG A 18 -10.995 -2.434 -3.162 1.00 71.35 H new ATOM 0 HH11 ARG A 18 -12.348 -2.353 -6.450 1.00 5.11 H new ATOM 0 HH12 ARG A 18 -13.395 -3.746 -6.162 1.00 5.11 H new ATOM 0 HH21 ARG A 18 -12.296 -4.262 -2.866 1.00 3.02 H new ATOM 0 HH22 ARG A 18 -13.365 -4.812 -4.162 1.00 3.02 H new ATOM 302 N LYS A 19 -13.596 2.241 -1.309 1.00 23.41 N ATOM 303 CA LYS A 19 -14.968 2.665 -0.947 1.00 72.21 C ATOM 304 C LYS A 19 -14.961 4.107 -0.424 1.00 34.52 C ATOM 305 O LYS A 19 -15.887 4.881 -0.688 1.00 25.51 O ATOM 306 CB LYS A 19 -15.534 1.700 0.132 1.00 51.44 C ATOM 307 CG LYS A 19 -17.045 1.818 0.415 1.00 1.02 C ATOM 308 CD LYS A 19 -17.522 0.855 1.532 1.00 70.32 C ATOM 309 CE LYS A 19 -17.200 -0.624 1.240 1.00 21.11 C ATOM 310 NZ LYS A 19 -17.637 -1.518 2.344 1.00 44.32 N ATOM 0 H LYS A 19 -13.173 1.621 -0.618 1.00 23.41 H new ATOM 0 HA LYS A 19 -15.603 2.628 -1.832 1.00 72.21 H new ATOM 0 HB2 LYS A 19 -15.321 0.676 -0.176 1.00 51.44 H new ATOM 0 HB3 LYS A 19 -14.995 1.872 1.064 1.00 51.44 H new ATOM 0 HG2 LYS A 19 -17.278 2.844 0.702 1.00 1.02 H new ATOM 0 HG3 LYS A 19 -17.599 1.609 -0.500 1.00 1.02 H new ATOM 0 HD2 LYS A 19 -17.055 1.142 2.474 1.00 70.32 H new ATOM 0 HD3 LYS A 19 -18.598 0.966 1.663 1.00 70.32 H new ATOM 0 HE2 LYS A 19 -17.690 -0.926 0.314 1.00 21.11 H new ATOM 0 HE3 LYS A 19 -16.127 -0.738 1.085 1.00 21.11 H new ATOM 0 HZ1 LYS A 19 -17.200 -2.454 2.226 1.00 44.32 H new ATOM 0 HZ2 LYS A 19 -17.345 -1.112 3.256 1.00 44.32 H new ATOM 0 HZ3 LYS A 19 -18.672 -1.614 2.324 1.00 44.32 H new ATOM 324 N LYS A 20 -13.910 4.446 0.340 1.00 33.41 N ATOM 325 CA LYS A 20 -13.683 5.807 0.855 1.00 13.12 C ATOM 326 C LYS A 20 -13.018 6.692 -0.215 1.00 14.05 C ATOM 327 O LYS A 20 -13.390 7.861 -0.391 1.00 71.23 O ATOM 328 CB LYS A 20 -12.789 5.759 2.127 1.00 2.14 C ATOM 329 CG LYS A 20 -13.513 5.311 3.409 1.00 13.13 C ATOM 330 CD LYS A 20 -12.567 5.218 4.635 1.00 22.05 C ATOM 331 CE LYS A 20 -13.329 5.158 5.972 1.00 4.31 C ATOM 332 NZ LYS A 20 -14.344 4.079 6.016 1.00 35.24 N ATOM 0 H LYS A 20 -13.190 3.780 0.620 1.00 33.41 H new ATOM 0 HA LYS A 20 -14.650 6.238 1.112 1.00 13.12 H new ATOM 0 HB2 LYS A 20 -11.955 5.082 1.942 1.00 2.14 H new ATOM 0 HB3 LYS A 20 -12.365 6.749 2.293 1.00 2.14 H new ATOM 0 HG2 LYS A 20 -14.318 6.012 3.630 1.00 13.13 H new ATOM 0 HG3 LYS A 20 -13.975 4.339 3.238 1.00 13.13 H new ATOM 0 HD2 LYS A 20 -11.941 4.331 4.539 1.00 22.05 H new ATOM 0 HD3 LYS A 20 -11.900 6.080 4.640 1.00 22.05 H new ATOM 0 HE2 LYS A 20 -12.616 5.011 6.783 1.00 4.31 H new ATOM 0 HE3 LYS A 20 -13.818 6.116 6.148 1.00 4.31 H new ATOM 0 HZ1 LYS A 20 -14.553 3.839 7.006 1.00 35.24 H new ATOM 0 HZ2 LYS A 20 -15.214 4.402 5.547 1.00 35.24 H new ATOM 0 HZ3 LYS A 20 -13.978 3.238 5.526 1.00 35.24 H new ATOM 346 N PHE A 21 -12.032 6.118 -0.927 1.00 32.30 N ATOM 347 CA PHE A 21 -11.139 6.869 -1.833 1.00 72.20 C ATOM 348 C PHE A 21 -10.963 6.124 -3.176 1.00 70.43 C ATOM 349 O PHE A 21 -10.105 5.235 -3.288 1.00 0.00 O ATOM 350 CB PHE A 21 -9.745 7.094 -1.179 1.00 5.45 C ATOM 351 CG PHE A 21 -9.787 7.697 0.216 1.00 53.10 C ATOM 352 CD1 PHE A 21 -10.108 9.039 0.412 1.00 4.21 C ATOM 353 CD2 PHE A 21 -9.512 6.919 1.335 1.00 23.12 C ATOM 354 CE1 PHE A 21 -10.137 9.578 1.681 1.00 21.12 C ATOM 355 CE2 PHE A 21 -9.549 7.461 2.595 1.00 31.43 C ATOM 356 CZ PHE A 21 -9.860 8.782 2.769 1.00 64.41 C ATOM 0 H PHE A 21 -11.830 5.119 -0.892 1.00 32.30 H new ATOM 0 HA PHE A 21 -11.603 7.837 -2.022 1.00 72.20 H new ATOM 0 HB2 PHE A 21 -9.223 6.138 -1.131 1.00 5.45 H new ATOM 0 HB3 PHE A 21 -9.157 7.747 -1.824 1.00 5.45 H new ATOM 0 HD1 PHE A 21 -10.336 9.663 -0.439 1.00 4.21 H new ATOM 0 HD2 PHE A 21 -9.266 5.875 1.211 1.00 23.12 H new ATOM 0 HE1 PHE A 21 -10.376 10.622 1.821 1.00 21.12 H new ATOM 0 HE2 PHE A 21 -9.332 6.842 3.453 1.00 31.43 H new ATOM 0 HZ PHE A 21 -9.888 9.202 3.764 1.00 64.41 H new ATOM 366 N PRO A 22 -11.781 6.458 -4.220 1.00 50.12 N ATOM 367 CA PRO A 22 -11.528 5.997 -5.610 1.00 45.50 C ATOM 368 C PRO A 22 -10.351 6.777 -6.264 1.00 51.22 C ATOM 369 O PRO A 22 -9.896 6.437 -7.362 1.00 12.12 O ATOM 370 CB PRO A 22 -12.887 6.264 -6.339 1.00 51.20 C ATOM 371 CG PRO A 22 -13.858 6.684 -5.257 1.00 30.30 C ATOM 372 CD PRO A 22 -13.017 7.281 -4.150 1.00 3.30 C ATOM 0 HA PRO A 22 -11.227 4.951 -5.662 1.00 45.50 H new ATOM 0 HB2 PRO A 22 -12.780 7.044 -7.093 1.00 51.20 H new ATOM 0 HB3 PRO A 22 -13.237 5.369 -6.853 1.00 51.20 H new ATOM 0 HG2 PRO A 22 -14.575 7.411 -5.637 1.00 30.30 H new ATOM 0 HG3 PRO A 22 -14.431 5.831 -4.895 1.00 30.30 H new ATOM 0 HD2 PRO A 22 -12.813 8.338 -4.318 1.00 3.30 H new ATOM 0 HD3 PRO A 22 -13.505 7.201 -3.179 1.00 3.30 H new ATOM 380 N GLN A 23 -9.889 7.818 -5.546 1.00 42.53 N ATOM 381 CA GLN A 23 -8.817 8.742 -5.968 1.00 73.13 C ATOM 382 C GLN A 23 -7.400 8.162 -5.787 1.00 51.20 C ATOM 383 O GLN A 23 -6.444 8.698 -6.353 1.00 22.11 O ATOM 384 CB GLN A 23 -8.969 10.056 -5.163 1.00 23.44 C ATOM 385 CG GLN A 23 -9.001 9.865 -3.620 1.00 51.15 C ATOM 386 CD GLN A 23 -9.541 11.063 -2.836 1.00 22.03 C ATOM 387 OE1 GLN A 23 -9.156 11.300 -1.699 1.00 31.42 O ATOM 388 NE2 GLN A 23 -10.472 11.802 -3.412 1.00 32.13 N ATOM 0 H GLN A 23 -10.264 8.047 -4.625 1.00 42.53 H new ATOM 0 HA GLN A 23 -8.927 8.920 -7.038 1.00 73.13 H new ATOM 0 HB2 GLN A 23 -8.144 10.721 -5.417 1.00 23.44 H new ATOM 0 HB3 GLN A 23 -9.887 10.554 -5.474 1.00 23.44 H new ATOM 0 HG2 GLN A 23 -9.612 8.992 -3.389 1.00 51.15 H new ATOM 0 HG3 GLN A 23 -7.990 9.648 -3.274 1.00 51.15 H new ATOM 0 HE21 GLN A 23 -10.779 11.587 -4.361 1.00 32.13 H new ATOM 0 HE22 GLN A 23 -10.884 12.587 -2.908 1.00 32.13 H new ATOM 397 N VAL A 24 -7.260 7.098 -4.978 1.00 35.25 N ATOM 398 CA VAL A 24 -5.963 6.410 -4.763 1.00 64.25 C ATOM 399 C VAL A 24 -6.044 4.965 -5.293 1.00 42.34 C ATOM 400 O VAL A 24 -7.124 4.355 -5.298 1.00 22.14 O ATOM 401 CB VAL A 24 -5.528 6.417 -3.240 1.00 10.44 C ATOM 402 CG1 VAL A 24 -5.211 7.856 -2.752 1.00 42.44 C ATOM 403 CG2 VAL A 24 -6.603 5.755 -2.344 1.00 64.22 C ATOM 0 H VAL A 24 -8.034 6.688 -4.455 1.00 35.25 H new ATOM 0 HA VAL A 24 -5.201 6.959 -5.316 1.00 64.25 H new ATOM 0 HB VAL A 24 -4.616 5.826 -3.158 1.00 10.44 H new ATOM 0 HG11 VAL A 24 -4.916 7.828 -1.703 1.00 42.44 H new ATOM 0 HG12 VAL A 24 -4.398 8.271 -3.347 1.00 42.44 H new ATOM 0 HG13 VAL A 24 -6.097 8.481 -2.863 1.00 42.44 H new ATOM 0 HG21 VAL A 24 -6.274 5.776 -1.305 1.00 64.22 H new ATOM 0 HG22 VAL A 24 -7.542 6.301 -2.438 1.00 64.22 H new ATOM 0 HG23 VAL A 24 -6.751 4.721 -2.657 1.00 64.22 H new ATOM 413 N GLU A 25 -4.895 4.438 -5.756 1.00 64.02 N ATOM 414 CA GLU A 25 -4.789 3.065 -6.292 1.00 24.51 C ATOM 415 C GLU A 25 -4.565 2.076 -5.140 1.00 75.24 C ATOM 416 O GLU A 25 -3.933 2.423 -4.146 1.00 12.21 O ATOM 417 CB GLU A 25 -3.632 2.958 -7.319 1.00 35.21 C ATOM 418 CG GLU A 25 -3.731 3.953 -8.487 1.00 44.33 C ATOM 419 CD GLU A 25 -2.620 3.759 -9.529 1.00 12.12 C ATOM 420 OE1 GLU A 25 -1.491 4.239 -9.310 1.00 13.33 O ATOM 421 OE2 GLU A 25 -2.872 3.130 -10.576 1.00 40.25 O ATOM 0 H GLU A 25 -4.013 4.951 -5.770 1.00 64.02 H new ATOM 0 HA GLU A 25 -5.720 2.820 -6.804 1.00 24.51 H new ATOM 0 HB2 GLU A 25 -2.686 3.116 -6.801 1.00 35.21 H new ATOM 0 HB3 GLU A 25 -3.610 1.945 -7.721 1.00 35.21 H new ATOM 0 HG2 GLU A 25 -4.701 3.842 -8.972 1.00 44.33 H new ATOM 0 HG3 GLU A 25 -3.684 4.970 -8.097 1.00 44.33 H new ATOM 428 N VAL A 26 -5.103 0.852 -5.281 1.00 33.50 N ATOM 429 CA VAL A 26 -4.998 -0.214 -4.257 1.00 12.42 C ATOM 430 C VAL A 26 -4.437 -1.506 -4.889 1.00 31.35 C ATOM 431 O VAL A 26 -4.909 -1.934 -5.947 1.00 72.24 O ATOM 432 CB VAL A 26 -6.400 -0.508 -3.586 1.00 61.05 C ATOM 433 CG1 VAL A 26 -6.291 -1.594 -2.482 1.00 11.41 C ATOM 434 CG2 VAL A 26 -7.022 0.791 -3.019 1.00 70.41 C ATOM 0 H VAL A 26 -5.626 0.569 -6.110 1.00 33.50 H new ATOM 0 HA VAL A 26 -4.316 0.134 -3.481 1.00 12.42 H new ATOM 0 HB VAL A 26 -7.059 -0.895 -4.363 1.00 61.05 H new ATOM 0 HG11 VAL A 26 -7.274 -1.768 -2.045 1.00 11.41 H new ATOM 0 HG12 VAL A 26 -5.919 -2.521 -2.919 1.00 11.41 H new ATOM 0 HG13 VAL A 26 -5.604 -1.257 -1.706 1.00 11.41 H new ATOM 0 HG21 VAL A 26 -7.985 0.564 -2.563 1.00 70.41 H new ATOM 0 HG22 VAL A 26 -6.356 1.216 -2.268 1.00 70.41 H new ATOM 0 HG23 VAL A 26 -7.163 1.509 -3.827 1.00 70.41 H new ATOM 444 N ARG A 27 -3.427 -2.117 -4.244 1.00 5.03 N ATOM 445 CA ARG A 27 -2.838 -3.406 -4.670 1.00 30.54 C ATOM 446 C ARG A 27 -3.165 -4.484 -3.626 1.00 74.34 C ATOM 447 O ARG A 27 -2.878 -4.300 -2.446 1.00 71.41 O ATOM 448 CB ARG A 27 -1.297 -3.274 -4.836 1.00 3.13 C ATOM 449 CG ARG A 27 -0.814 -2.337 -5.975 1.00 15.00 C ATOM 450 CD ARG A 27 -1.200 -2.827 -7.394 1.00 42.12 C ATOM 451 NE ARG A 27 -2.617 -2.577 -7.738 1.00 24.23 N ATOM 452 CZ ARG A 27 -3.254 -3.047 -8.828 1.00 0.51 C ATOM 453 NH1 ARG A 27 -2.629 -3.811 -9.721 1.00 52.52 N ATOM 454 NH2 ARG A 27 -4.529 -2.744 -9.015 1.00 55.03 N ATOM 0 H ARG A 27 -2.991 -1.730 -3.407 1.00 5.03 H new ATOM 0 HA ARG A 27 -3.263 -3.690 -5.633 1.00 30.54 H new ATOM 0 HB2 ARG A 27 -0.879 -2.915 -3.895 1.00 3.13 H new ATOM 0 HB3 ARG A 27 -0.884 -4.268 -5.010 1.00 3.13 H new ATOM 0 HG2 ARG A 27 -1.233 -1.343 -5.817 1.00 15.00 H new ATOM 0 HG3 ARG A 27 0.270 -2.239 -5.917 1.00 15.00 H new ATOM 0 HD2 ARG A 27 -0.563 -2.331 -8.127 1.00 42.12 H new ATOM 0 HD3 ARG A 27 -0.999 -3.896 -7.468 1.00 42.12 H new ATOM 0 HE ARG A 27 -3.158 -1.999 -7.095 1.00 24.23 H new ATOM 0 HH11 ARG A 27 -1.647 -4.052 -9.588 1.00 52.52 H new ATOM 0 HH12 ARG A 27 -3.132 -4.155 -10.539 1.00 52.52 H new ATOM 0 HH21 ARG A 27 -5.019 -2.160 -8.337 1.00 55.03 H new ATOM 0 HH22 ARG A 27 -5.021 -3.094 -9.837 1.00 55.03 H new ATOM 468 N LEU A 28 -3.761 -5.601 -4.065 1.00 31.10 N ATOM 469 CA LEU A 28 -4.132 -6.724 -3.176 1.00 50.22 C ATOM 470 C LEU A 28 -3.007 -7.778 -3.150 1.00 21.14 C ATOM 471 O LEU A 28 -2.544 -8.224 -4.205 1.00 2.12 O ATOM 472 CB LEU A 28 -5.470 -7.369 -3.633 1.00 13.42 C ATOM 473 CG LEU A 28 -6.001 -8.550 -2.744 1.00 4.13 C ATOM 474 CD1 LEU A 28 -6.169 -8.113 -1.275 1.00 74.13 C ATOM 475 CD2 LEU A 28 -7.318 -9.141 -3.304 1.00 12.53 C ATOM 0 H LEU A 28 -4.002 -5.757 -5.044 1.00 31.10 H new ATOM 0 HA LEU A 28 -4.269 -6.334 -2.167 1.00 50.22 H new ATOM 0 HB2 LEU A 28 -6.234 -6.592 -3.664 1.00 13.42 H new ATOM 0 HB3 LEU A 28 -5.345 -7.735 -4.652 1.00 13.42 H new ATOM 0 HG LEU A 28 -5.250 -9.340 -2.774 1.00 4.13 H new ATOM 0 HD11 LEU A 28 -6.538 -8.952 -0.686 1.00 74.13 H new ATOM 0 HD12 LEU A 28 -5.207 -7.787 -0.880 1.00 74.13 H new ATOM 0 HD13 LEU A 28 -6.881 -7.290 -1.219 1.00 74.13 H new ATOM 0 HD21 LEU A 28 -7.653 -9.955 -2.662 1.00 12.53 H new ATOM 0 HD22 LEU A 28 -8.082 -8.364 -3.334 1.00 12.53 H new ATOM 0 HD23 LEU A 28 -7.147 -9.520 -4.311 1.00 12.53 H new ATOM 487 N VAL A 29 -2.595 -8.185 -1.935 1.00 51.32 N ATOM 488 CA VAL A 29 -1.512 -9.160 -1.712 1.00 32.35 C ATOM 489 C VAL A 29 -2.032 -10.318 -0.844 1.00 41.23 C ATOM 490 O VAL A 29 -2.192 -10.175 0.364 1.00 51.15 O ATOM 491 CB VAL A 29 -0.264 -8.464 -1.027 1.00 1.10 C ATOM 492 CG1 VAL A 29 0.819 -9.486 -0.591 1.00 34.42 C ATOM 493 CG2 VAL A 29 0.347 -7.398 -1.964 1.00 25.22 C ATOM 0 H VAL A 29 -3.011 -7.841 -1.069 1.00 51.32 H new ATOM 0 HA VAL A 29 -1.187 -9.556 -2.674 1.00 32.35 H new ATOM 0 HB VAL A 29 -0.629 -7.977 -0.123 1.00 1.10 H new ATOM 0 HG11 VAL A 29 1.652 -8.958 -0.128 1.00 34.42 H new ATOM 0 HG12 VAL A 29 0.390 -10.187 0.125 1.00 34.42 H new ATOM 0 HG13 VAL A 29 1.176 -10.032 -1.464 1.00 34.42 H new ATOM 0 HG21 VAL A 29 1.203 -6.932 -1.476 1.00 25.22 H new ATOM 0 HG22 VAL A 29 0.672 -7.871 -2.891 1.00 25.22 H new ATOM 0 HG23 VAL A 29 -0.402 -6.638 -2.188 1.00 25.22 H new ATOM 503 N THR A 30 -2.309 -11.469 -1.465 1.00 43.24 N ATOM 504 CA THR A 30 -2.751 -12.679 -0.738 1.00 62.15 C ATOM 505 C THR A 30 -1.584 -13.676 -0.576 1.00 12.32 C ATOM 506 O THR A 30 -1.590 -14.511 0.334 1.00 54.33 O ATOM 507 CB THR A 30 -3.964 -13.353 -1.457 1.00 31.21 C ATOM 508 OG1 THR A 30 -3.615 -13.681 -2.813 1.00 53.51 O ATOM 509 CG2 THR A 30 -5.212 -12.440 -1.455 1.00 73.43 C ATOM 0 H THR A 30 -2.237 -11.595 -2.475 1.00 43.24 H new ATOM 0 HA THR A 30 -3.078 -12.375 0.256 1.00 62.15 H new ATOM 0 HB THR A 30 -4.206 -14.262 -0.906 1.00 31.21 H new ATOM 0 HG1 THR A 30 -2.732 -13.310 -3.022 1.00 53.51 H new ATOM 0 HG21 THR A 30 -6.033 -12.945 -1.964 1.00 73.43 H new ATOM 0 HG22 THR A 30 -5.502 -12.222 -0.427 1.00 73.43 H new ATOM 0 HG23 THR A 30 -4.982 -11.509 -1.972 1.00 73.43 H new ATOM 517 N THR A 31 -0.583 -13.571 -1.470 1.00 71.24 N ATOM 518 CA THR A 31 0.648 -14.387 -1.441 1.00 52.21 C ATOM 519 C THR A 31 1.873 -13.455 -1.369 1.00 44.23 C ATOM 520 O THR A 31 1.772 -12.275 -1.720 1.00 20.15 O ATOM 521 CB THR A 31 0.764 -15.300 -2.714 1.00 13.14 C ATOM 522 OG1 THR A 31 0.853 -14.496 -3.900 1.00 51.34 O ATOM 523 CG2 THR A 31 -0.422 -16.277 -2.849 1.00 15.22 C ATOM 0 H THR A 31 -0.606 -12.908 -2.244 1.00 71.24 H new ATOM 0 HA THR A 31 0.608 -15.032 -0.563 1.00 52.21 H new ATOM 0 HB THR A 31 1.672 -15.891 -2.594 1.00 13.14 H new ATOM 0 HG1 THR A 31 0.053 -13.935 -3.975 1.00 51.34 H new ATOM 0 HG21 THR A 31 -0.293 -16.884 -3.745 1.00 15.22 H new ATOM 0 HG22 THR A 31 -0.461 -16.925 -1.973 1.00 15.22 H new ATOM 0 HG23 THR A 31 -1.352 -15.713 -2.924 1.00 15.22 H new ATOM 531 N GLU A 32 3.029 -13.999 -0.926 1.00 44.54 N ATOM 532 CA GLU A 32 4.324 -13.283 -0.970 1.00 71.45 C ATOM 533 C GLU A 32 4.682 -12.927 -2.428 1.00 3.13 C ATOM 534 O GLU A 32 5.307 -11.897 -2.686 1.00 65.13 O ATOM 535 CB GLU A 32 5.459 -14.134 -0.339 1.00 53.11 C ATOM 536 CG GLU A 32 6.860 -13.476 -0.407 1.00 10.44 C ATOM 537 CD GLU A 32 7.976 -14.341 0.193 1.00 73.45 C ATOM 538 OE1 GLU A 32 8.334 -15.371 -0.420 1.00 10.53 O ATOM 539 OE2 GLU A 32 8.519 -13.985 1.258 1.00 23.41 O ATOM 0 H GLU A 32 3.091 -14.938 -0.532 1.00 44.54 H new ATOM 0 HA GLU A 32 4.223 -12.367 -0.388 1.00 71.45 H new ATOM 0 HB2 GLU A 32 5.213 -14.331 0.704 1.00 53.11 H new ATOM 0 HB3 GLU A 32 5.498 -15.099 -0.845 1.00 53.11 H new ATOM 0 HG2 GLU A 32 7.100 -13.259 -1.448 1.00 10.44 H new ATOM 0 HG3 GLU A 32 6.830 -12.522 0.119 1.00 10.44 H new ATOM 546 N GLU A 33 4.254 -13.807 -3.366 1.00 61.11 N ATOM 547 CA GLU A 33 4.399 -13.599 -4.820 1.00 3.21 C ATOM 548 C GLU A 33 3.773 -12.262 -5.242 1.00 11.20 C ATOM 549 O GLU A 33 4.396 -11.499 -5.970 1.00 31.21 O ATOM 550 CB GLU A 33 3.747 -14.766 -5.600 1.00 15.44 C ATOM 551 CG GLU A 33 4.392 -16.131 -5.326 1.00 31.42 C ATOM 552 CD GLU A 33 3.744 -17.257 -6.136 1.00 21.14 C ATOM 553 OE1 GLU A 33 3.975 -17.318 -7.362 1.00 4.52 O ATOM 554 OE2 GLU A 33 2.984 -18.069 -5.568 1.00 35.11 O ATOM 0 H GLU A 33 3.795 -14.687 -3.128 1.00 61.11 H new ATOM 0 HA GLU A 33 5.463 -13.571 -5.057 1.00 3.21 H new ATOM 0 HB2 GLU A 33 2.689 -14.816 -5.343 1.00 15.44 H new ATOM 0 HB3 GLU A 33 3.806 -14.555 -6.668 1.00 15.44 H new ATOM 0 HG2 GLU A 33 5.455 -16.082 -5.564 1.00 31.42 H new ATOM 0 HG3 GLU A 33 4.313 -16.360 -4.263 1.00 31.42 H new ATOM 561 N ASP A 34 2.555 -11.977 -4.722 1.00 60.31 N ATOM 562 CA ASP A 34 1.841 -10.711 -4.986 1.00 65.21 C ATOM 563 C ASP A 34 2.639 -9.509 -4.466 1.00 61.24 C ATOM 564 O ASP A 34 2.702 -8.488 -5.136 1.00 53.34 O ATOM 565 CB ASP A 34 0.427 -10.698 -4.347 1.00 43.11 C ATOM 566 CG ASP A 34 -0.536 -11.728 -4.951 1.00 34.30 C ATOM 567 OD1 ASP A 34 -0.649 -11.782 -6.192 1.00 14.01 O ATOM 568 OD2 ASP A 34 -1.216 -12.455 -4.196 1.00 72.43 O ATOM 0 H ASP A 34 2.045 -12.616 -4.112 1.00 60.31 H new ATOM 0 HA ASP A 34 1.733 -10.636 -6.068 1.00 65.21 H new ATOM 0 HB2 ASP A 34 0.520 -10.886 -3.277 1.00 43.11 H new ATOM 0 HB3 ASP A 34 -0.003 -9.703 -4.460 1.00 43.11 H new ATOM 573 N ALA A 35 3.256 -9.661 -3.272 1.00 63.52 N ATOM 574 CA ALA A 35 4.097 -8.612 -2.647 1.00 32.33 C ATOM 575 C ALA A 35 5.309 -8.271 -3.538 1.00 64.52 C ATOM 576 O ALA A 35 5.684 -7.105 -3.664 1.00 2.14 O ATOM 577 CB ALA A 35 4.560 -9.056 -1.248 1.00 61.41 C ATOM 0 H ALA A 35 3.186 -10.512 -2.715 1.00 63.52 H new ATOM 0 HA ALA A 35 3.493 -7.711 -2.542 1.00 32.33 H new ATOM 0 HB1 ALA A 35 5.176 -8.274 -0.804 1.00 61.41 H new ATOM 0 HB2 ALA A 35 3.690 -9.235 -0.617 1.00 61.41 H new ATOM 0 HB3 ALA A 35 5.142 -9.974 -1.332 1.00 61.41 H new ATOM 583 N LYS A 36 5.895 -9.319 -4.154 1.00 15.02 N ATOM 584 CA LYS A 36 7.012 -9.205 -5.114 1.00 12.13 C ATOM 585 C LYS A 36 6.574 -8.465 -6.392 1.00 55.43 C ATOM 586 O LYS A 36 7.318 -7.640 -6.931 1.00 13.45 O ATOM 587 CB LYS A 36 7.516 -10.614 -5.491 1.00 64.23 C ATOM 588 CG LYS A 36 8.078 -11.439 -4.317 1.00 63.43 C ATOM 589 CD LYS A 36 8.377 -12.905 -4.709 1.00 60.32 C ATOM 590 CE LYS A 36 9.299 -13.031 -5.940 1.00 2.54 C ATOM 591 NZ LYS A 36 10.587 -12.314 -5.765 1.00 63.33 N ATOM 0 H LYS A 36 5.601 -10.283 -3.996 1.00 15.02 H new ATOM 0 HA LYS A 36 7.811 -8.635 -4.640 1.00 12.13 H new ATOM 0 HB2 LYS A 36 6.694 -11.168 -5.945 1.00 64.23 H new ATOM 0 HB3 LYS A 36 8.292 -10.515 -6.250 1.00 64.23 H new ATOM 0 HG2 LYS A 36 8.993 -10.970 -3.954 1.00 63.43 H new ATOM 0 HG3 LYS A 36 7.364 -11.425 -3.494 1.00 63.43 H new ATOM 0 HD2 LYS A 36 8.840 -13.413 -3.863 1.00 60.32 H new ATOM 0 HD3 LYS A 36 7.437 -13.418 -4.913 1.00 60.32 H new ATOM 0 HE2 LYS A 36 9.498 -14.085 -6.134 1.00 2.54 H new ATOM 0 HE3 LYS A 36 8.784 -12.637 -6.816 1.00 2.54 H new ATOM 0 HZ1 LYS A 36 11.189 -12.473 -6.598 1.00 63.33 H new ATOM 0 HZ2 LYS A 36 10.406 -11.296 -5.658 1.00 63.33 H new ATOM 0 HZ3 LYS A 36 11.070 -12.671 -4.916 1.00 63.33 H new ATOM 605 N GLN A 37 5.355 -8.795 -6.868 1.00 50.31 N ATOM 606 CA GLN A 37 4.751 -8.153 -8.053 1.00 63.13 C ATOM 607 C GLN A 37 4.509 -6.663 -7.775 1.00 31.13 C ATOM 608 O GLN A 37 4.707 -5.827 -8.649 1.00 31.12 O ATOM 609 CB GLN A 37 3.414 -8.839 -8.446 1.00 72.34 C ATOM 610 CG GLN A 37 3.504 -10.356 -8.733 1.00 24.15 C ATOM 611 CD GLN A 37 4.280 -10.765 -10.000 1.00 65.11 C ATOM 612 OE1 GLN A 37 5.209 -10.089 -10.454 1.00 53.13 O ATOM 613 NE2 GLN A 37 3.911 -11.909 -10.565 1.00 1.35 N ATOM 0 H GLN A 37 4.765 -9.511 -6.444 1.00 50.31 H new ATOM 0 HA GLN A 37 5.446 -8.261 -8.886 1.00 63.13 H new ATOM 0 HB2 GLN A 37 2.695 -8.681 -7.642 1.00 72.34 H new ATOM 0 HB3 GLN A 37 3.017 -8.342 -9.331 1.00 72.34 H new ATOM 0 HG2 GLN A 37 3.970 -10.840 -7.875 1.00 24.15 H new ATOM 0 HG3 GLN A 37 2.491 -10.751 -8.810 1.00 24.15 H new ATOM 0 HE21 GLN A 37 3.140 -12.448 -10.170 1.00 1.35 H new ATOM 0 HE22 GLN A 37 4.398 -12.249 -11.394 1.00 1.35 H new ATOM 622 N VAL A 38 4.096 -6.361 -6.529 1.00 31.33 N ATOM 623 CA VAL A 38 3.839 -4.993 -6.065 1.00 72.31 C ATOM 624 C VAL A 38 5.147 -4.185 -5.976 1.00 3.33 C ATOM 625 O VAL A 38 5.145 -3.009 -6.307 1.00 52.32 O ATOM 626 CB VAL A 38 3.061 -4.989 -4.693 1.00 64.44 C ATOM 627 CG1 VAL A 38 2.977 -3.578 -4.077 1.00 12.34 C ATOM 628 CG2 VAL A 38 1.642 -5.573 -4.880 1.00 40.13 C ATOM 0 H VAL A 38 3.931 -7.069 -5.814 1.00 31.33 H new ATOM 0 HA VAL A 38 3.200 -4.505 -6.801 1.00 72.31 H new ATOM 0 HB VAL A 38 3.622 -5.616 -4.000 1.00 64.44 H new ATOM 0 HG11 VAL A 38 2.433 -3.625 -3.134 1.00 12.34 H new ATOM 0 HG12 VAL A 38 3.983 -3.199 -3.897 1.00 12.34 H new ATOM 0 HG13 VAL A 38 2.456 -2.911 -4.764 1.00 12.34 H new ATOM 0 HG21 VAL A 38 1.116 -5.564 -3.925 1.00 40.13 H new ATOM 0 HG22 VAL A 38 1.092 -4.969 -5.602 1.00 40.13 H new ATOM 0 HG23 VAL A 38 1.715 -6.598 -5.244 1.00 40.13 H new ATOM 638 N ILE A 39 6.263 -4.835 -5.570 1.00 21.31 N ATOM 639 CA ILE A 39 7.611 -4.212 -5.595 1.00 21.13 C ATOM 640 C ILE A 39 7.907 -3.653 -7.007 1.00 41.53 C ATOM 641 O ILE A 39 8.322 -2.504 -7.156 1.00 13.23 O ATOM 642 CB ILE A 39 8.742 -5.233 -5.174 1.00 61.23 C ATOM 643 CG1 ILE A 39 8.592 -5.637 -3.674 1.00 53.45 C ATOM 644 CG2 ILE A 39 10.158 -4.674 -5.462 1.00 5.32 C ATOM 645 CD1 ILE A 39 9.575 -6.690 -3.183 1.00 33.13 C ATOM 0 H ILE A 39 6.258 -5.793 -5.220 1.00 21.31 H new ATOM 0 HA ILE A 39 7.612 -3.399 -4.869 1.00 21.13 H new ATOM 0 HB ILE A 39 8.619 -6.128 -5.783 1.00 61.23 H new ATOM 0 HG12 ILE A 39 8.706 -4.743 -3.061 1.00 53.45 H new ATOM 0 HG13 ILE A 39 7.579 -6.006 -3.514 1.00 53.45 H new ATOM 0 HG21 ILE A 39 10.907 -5.406 -5.159 1.00 5.32 H new ATOM 0 HG22 ILE A 39 10.259 -4.472 -6.528 1.00 5.32 H new ATOM 0 HG23 ILE A 39 10.305 -3.750 -4.902 1.00 5.32 H new ATOM 0 HD11 ILE A 39 9.387 -6.900 -2.130 1.00 33.13 H new ATOM 0 HD12 ILE A 39 9.449 -7.604 -3.763 1.00 33.13 H new ATOM 0 HD13 ILE A 39 10.594 -6.321 -3.303 1.00 33.13 H new ATOM 657 N LYS A 40 7.616 -4.484 -8.023 1.00 30.31 N ATOM 658 CA LYS A 40 7.805 -4.139 -9.442 1.00 35.30 C ATOM 659 C LYS A 40 6.778 -3.084 -9.900 1.00 24.25 C ATOM 660 O LYS A 40 7.108 -2.169 -10.659 1.00 52.23 O ATOM 661 CB LYS A 40 7.659 -5.412 -10.318 1.00 63.51 C ATOM 662 CG LYS A 40 8.588 -6.579 -9.914 1.00 14.01 C ATOM 663 CD LYS A 40 8.453 -7.796 -10.856 1.00 23.32 C ATOM 664 CE LYS A 40 8.926 -7.490 -12.293 1.00 31.52 C ATOM 665 NZ LYS A 40 10.383 -7.215 -12.362 1.00 41.43 N ATOM 0 H LYS A 40 7.240 -5.421 -7.881 1.00 30.31 H new ATOM 0 HA LYS A 40 8.806 -3.722 -9.557 1.00 35.30 H new ATOM 0 HB2 LYS A 40 6.625 -5.754 -10.270 1.00 63.51 H new ATOM 0 HB3 LYS A 40 7.859 -5.148 -11.356 1.00 63.51 H new ATOM 0 HG2 LYS A 40 9.622 -6.234 -9.917 1.00 14.01 H new ATOM 0 HG3 LYS A 40 8.358 -6.886 -8.894 1.00 14.01 H new ATOM 0 HD2 LYS A 40 9.034 -8.627 -10.456 1.00 23.32 H new ATOM 0 HD3 LYS A 40 7.412 -8.118 -10.881 1.00 23.32 H new ATOM 0 HE2 LYS A 40 8.687 -8.335 -12.939 1.00 31.52 H new ATOM 0 HE3 LYS A 40 8.378 -6.630 -12.678 1.00 31.52 H new ATOM 0 HZ1 LYS A 40 10.671 -7.116 -13.356 1.00 41.43 H new ATOM 0 HZ2 LYS A 40 10.595 -6.334 -11.851 1.00 41.43 H new ATOM 0 HZ3 LYS A 40 10.906 -8.002 -11.927 1.00 41.43 H new ATOM 679 N GLU A 41 5.540 -3.225 -9.398 1.00 61.43 N ATOM 680 CA GLU A 41 4.372 -2.458 -9.871 1.00 45.53 C ATOM 681 C GLU A 41 4.484 -0.981 -9.465 1.00 14.42 C ATOM 682 O GLU A 41 4.171 -0.081 -10.246 1.00 35.42 O ATOM 683 CB GLU A 41 3.070 -3.074 -9.289 1.00 74.52 C ATOM 684 CG GLU A 41 1.775 -2.602 -9.971 1.00 43.20 C ATOM 685 CD GLU A 41 1.709 -2.999 -11.461 1.00 2.11 C ATOM 686 OE1 GLU A 41 1.360 -4.163 -11.756 1.00 54.20 O ATOM 687 OE2 GLU A 41 2.015 -2.160 -12.339 1.00 41.11 O ATOM 0 H GLU A 41 5.318 -3.879 -8.647 1.00 61.43 H new ATOM 0 HA GLU A 41 4.342 -2.509 -10.959 1.00 45.53 H new ATOM 0 HB2 GLU A 41 3.131 -4.159 -9.368 1.00 74.52 H new ATOM 0 HB3 GLU A 41 3.014 -2.834 -8.227 1.00 74.52 H new ATOM 0 HG2 GLU A 41 0.918 -3.026 -9.448 1.00 43.20 H new ATOM 0 HG3 GLU A 41 1.697 -1.518 -9.884 1.00 43.20 H new ATOM 694 N ILE A 42 4.928 -0.780 -8.216 1.00 13.02 N ATOM 695 CA ILE A 42 5.236 0.534 -7.637 1.00 73.11 C ATOM 696 C ILE A 42 6.273 1.282 -8.503 1.00 54.41 C ATOM 697 O ILE A 42 6.126 2.472 -8.766 1.00 70.35 O ATOM 698 CB ILE A 42 5.770 0.355 -6.160 1.00 34.14 C ATOM 699 CG1 ILE A 42 4.641 -0.170 -5.206 1.00 14.53 C ATOM 700 CG2 ILE A 42 6.377 1.656 -5.605 1.00 64.11 C ATOM 701 CD1 ILE A 42 5.127 -0.586 -3.821 1.00 70.42 C ATOM 0 H ILE A 42 5.087 -1.548 -7.564 1.00 13.02 H new ATOM 0 HA ILE A 42 4.324 1.131 -7.613 1.00 73.11 H new ATOM 0 HB ILE A 42 6.563 -0.391 -6.201 1.00 34.14 H new ATOM 0 HG12 ILE A 42 3.886 0.608 -5.094 1.00 14.53 H new ATOM 0 HG13 ILE A 42 4.152 -1.023 -5.677 1.00 14.53 H new ATOM 0 HG21 ILE A 42 6.731 1.487 -4.588 1.00 64.11 H new ATOM 0 HG22 ILE A 42 7.212 1.965 -6.234 1.00 64.11 H new ATOM 0 HG23 ILE A 42 5.618 2.438 -5.600 1.00 64.11 H new ATOM 0 HD11 ILE A 42 4.281 -0.936 -3.229 1.00 70.42 H new ATOM 0 HD12 ILE A 42 5.859 -1.388 -3.918 1.00 70.42 H new ATOM 0 HD13 ILE A 42 5.589 0.268 -3.326 1.00 70.42 H new ATOM 713 N GLN A 43 7.299 0.545 -8.965 1.00 42.21 N ATOM 714 CA GLN A 43 8.405 1.113 -9.761 1.00 73.54 C ATOM 715 C GLN A 43 7.946 1.446 -11.198 1.00 25.22 C ATOM 716 O GLN A 43 8.469 2.370 -11.818 1.00 14.32 O ATOM 717 CB GLN A 43 9.602 0.133 -9.775 1.00 74.41 C ATOM 718 CG GLN A 43 10.123 -0.226 -8.366 1.00 12.02 C ATOM 719 CD GLN A 43 11.280 -1.233 -8.363 1.00 35.13 C ATOM 720 OE1 GLN A 43 12.116 -1.250 -9.264 1.00 23.24 O ATOM 721 NE2 GLN A 43 11.320 -2.100 -7.369 1.00 55.32 N ATOM 0 H GLN A 43 7.386 -0.458 -8.799 1.00 42.21 H new ATOM 0 HA GLN A 43 8.722 2.046 -9.296 1.00 73.54 H new ATOM 0 HB2 GLN A 43 9.306 -0.782 -10.288 1.00 74.41 H new ATOM 0 HB3 GLN A 43 10.415 0.573 -10.353 1.00 74.41 H new ATOM 0 HG2 GLN A 43 10.449 0.687 -7.868 1.00 12.02 H new ATOM 0 HG3 GLN A 43 9.300 -0.633 -7.779 1.00 12.02 H new ATOM 0 HE21 GLN A 43 10.615 -2.065 -6.633 1.00 55.32 H new ATOM 0 HE22 GLN A 43 12.056 -2.805 -7.336 1.00 55.32 H new ATOM 730 N LYS A 44 6.960 0.677 -11.715 1.00 72.44 N ATOM 731 CA LYS A 44 6.324 0.949 -13.027 1.00 71.11 C ATOM 732 C LYS A 44 5.434 2.209 -12.967 1.00 40.24 C ATOM 733 O LYS A 44 5.431 3.019 -13.896 1.00 53.42 O ATOM 734 CB LYS A 44 5.495 -0.286 -13.520 1.00 70.42 C ATOM 735 CG LYS A 44 6.336 -1.407 -14.179 1.00 73.12 C ATOM 736 CD LYS A 44 7.123 -0.906 -15.424 1.00 3.42 C ATOM 737 CE LYS A 44 7.782 -2.039 -16.236 1.00 72.40 C ATOM 738 NZ LYS A 44 8.739 -2.846 -15.439 1.00 75.11 N ATOM 0 H LYS A 44 6.585 -0.144 -11.240 1.00 72.44 H new ATOM 0 HA LYS A 44 7.123 1.132 -13.746 1.00 71.11 H new ATOM 0 HB2 LYS A 44 4.955 -0.706 -12.672 1.00 70.42 H new ATOM 0 HB3 LYS A 44 4.747 0.057 -14.235 1.00 70.42 H new ATOM 0 HG2 LYS A 44 7.037 -1.809 -13.447 1.00 73.12 H new ATOM 0 HG3 LYS A 44 5.679 -2.225 -14.473 1.00 73.12 H new ATOM 0 HD2 LYS A 44 6.445 -0.352 -16.073 1.00 3.42 H new ATOM 0 HD3 LYS A 44 7.894 -0.208 -15.099 1.00 3.42 H new ATOM 0 HE2 LYS A 44 7.005 -2.694 -16.632 1.00 72.40 H new ATOM 0 HE3 LYS A 44 8.303 -1.609 -17.092 1.00 72.40 H new ATOM 0 HZ1 LYS A 44 9.149 -3.591 -16.038 1.00 75.11 H new ATOM 0 HZ2 LYS A 44 9.499 -2.232 -15.082 1.00 75.11 H new ATOM 0 HZ3 LYS A 44 8.241 -3.282 -14.637 1.00 75.11 H new ATOM 752 N LYS A 45 4.674 2.351 -11.865 1.00 71.44 N ATOM 753 CA LYS A 45 3.790 3.517 -11.622 1.00 62.21 C ATOM 754 C LYS A 45 4.608 4.745 -11.174 1.00 43.13 C ATOM 755 O LYS A 45 4.120 5.877 -11.256 1.00 42.02 O ATOM 756 CB LYS A 45 2.689 3.159 -10.562 1.00 11.24 C ATOM 757 CG LYS A 45 1.345 2.568 -11.089 1.00 32.13 C ATOM 758 CD LYS A 45 1.455 1.222 -11.869 1.00 24.51 C ATOM 759 CE LYS A 45 1.762 1.389 -13.371 1.00 52.25 C ATOM 760 NZ LYS A 45 1.808 0.091 -14.082 1.00 21.31 N ATOM 0 H LYS A 45 4.652 1.661 -11.114 1.00 71.44 H new ATOM 0 HA LYS A 45 3.294 3.771 -12.559 1.00 62.21 H new ATOM 0 HB2 LYS A 45 3.118 2.444 -9.860 1.00 11.24 H new ATOM 0 HB3 LYS A 45 2.460 4.063 -9.997 1.00 11.24 H new ATOM 0 HG2 LYS A 45 0.677 2.421 -10.240 1.00 32.13 H new ATOM 0 HG3 LYS A 45 0.876 3.306 -11.740 1.00 32.13 H new ATOM 0 HD2 LYS A 45 2.237 0.614 -11.415 1.00 24.51 H new ATOM 0 HD3 LYS A 45 0.520 0.673 -11.759 1.00 24.51 H new ATOM 0 HE2 LYS A 45 1.002 2.024 -13.827 1.00 52.25 H new ATOM 0 HE3 LYS A 45 2.717 1.900 -13.490 1.00 52.25 H new ATOM 0 HZ1 LYS A 45 2.628 0.074 -14.721 1.00 21.31 H new ATOM 0 HZ2 LYS A 45 1.892 -0.681 -13.390 1.00 21.31 H new ATOM 0 HZ3 LYS A 45 0.936 -0.033 -14.635 1.00 21.31 H new ATOM 774 N GLY A 46 5.841 4.497 -10.686 1.00 43.04 N ATOM 775 CA GLY A 46 6.730 5.552 -10.208 1.00 4.04 C ATOM 776 C GLY A 46 6.220 6.188 -8.922 1.00 33.22 C ATOM 777 O GLY A 46 6.289 7.408 -8.755 1.00 41.24 O ATOM 0 H GLY A 46 6.238 3.560 -10.616 1.00 43.04 H new ATOM 0 HA2 GLY A 46 7.724 5.139 -10.039 1.00 4.04 H new ATOM 0 HA3 GLY A 46 6.830 6.318 -10.977 1.00 4.04 H new ATOM 781 N VAL A 47 5.721 5.341 -8.005 1.00 61.42 N ATOM 782 CA VAL A 47 5.035 5.784 -6.779 1.00 4.23 C ATOM 783 C VAL A 47 6.065 6.236 -5.739 1.00 42.05 C ATOM 784 O VAL A 47 7.050 5.532 -5.500 1.00 34.52 O ATOM 785 CB VAL A 47 4.159 4.640 -6.155 1.00 71.31 C ATOM 786 CG1 VAL A 47 3.261 5.162 -5.012 1.00 12.01 C ATOM 787 CG2 VAL A 47 3.328 3.917 -7.227 1.00 43.31 C ATOM 0 H VAL A 47 5.782 4.327 -8.094 1.00 61.42 H new ATOM 0 HA VAL A 47 4.381 6.612 -7.054 1.00 4.23 H new ATOM 0 HB VAL A 47 4.847 3.913 -5.723 1.00 71.31 H new ATOM 0 HG11 VAL A 47 2.671 4.339 -4.608 1.00 12.01 H new ATOM 0 HG12 VAL A 47 3.884 5.584 -4.223 1.00 12.01 H new ATOM 0 HG13 VAL A 47 2.593 5.932 -5.397 1.00 12.01 H new ATOM 0 HG21 VAL A 47 2.734 3.132 -6.759 1.00 43.31 H new ATOM 0 HG22 VAL A 47 2.665 4.631 -7.716 1.00 43.31 H new ATOM 0 HG23 VAL A 47 3.995 3.475 -7.967 1.00 43.31 H new ATOM 797 N GLN A 48 5.819 7.401 -5.135 1.00 21.43 N ATOM 798 CA GLN A 48 6.686 7.983 -4.099 1.00 71.22 C ATOM 799 C GLN A 48 6.276 7.462 -2.708 1.00 64.33 C ATOM 800 O GLN A 48 7.120 7.045 -1.905 1.00 3.54 O ATOM 801 CB GLN A 48 6.595 9.538 -4.135 1.00 62.54 C ATOM 802 CG GLN A 48 7.264 10.232 -5.349 1.00 32.20 C ATOM 803 CD GLN A 48 6.615 9.952 -6.712 1.00 22.14 C ATOM 804 OE1 GLN A 48 5.418 9.677 -6.818 1.00 53.11 O ATOM 805 NE2 GLN A 48 7.400 10.061 -7.772 1.00 54.41 N ATOM 0 H GLN A 48 5.004 7.975 -5.351 1.00 21.43 H new ATOM 0 HA GLN A 48 7.716 7.685 -4.297 1.00 71.22 H new ATOM 0 HB2 GLN A 48 5.542 9.821 -4.115 1.00 62.54 H new ATOM 0 HB3 GLN A 48 7.047 9.929 -3.224 1.00 62.54 H new ATOM 0 HG2 GLN A 48 7.259 11.309 -5.178 1.00 32.20 H new ATOM 0 HG3 GLN A 48 8.308 9.921 -5.393 1.00 32.20 H new ATOM 0 HE21 GLN A 48 8.387 10.290 -7.654 1.00 54.41 H new ATOM 0 HE22 GLN A 48 7.018 9.916 -8.707 1.00 54.41 H new ATOM 814 N LYS A 49 4.958 7.503 -2.445 1.00 75.20 N ATOM 815 CA LYS A 49 4.366 7.214 -1.127 1.00 74.51 C ATOM 816 C LYS A 49 3.486 5.951 -1.213 1.00 2.13 C ATOM 817 O LYS A 49 2.576 5.892 -2.036 1.00 42.12 O ATOM 818 CB LYS A 49 3.491 8.430 -0.703 1.00 53.03 C ATOM 819 CG LYS A 49 4.143 9.817 -0.931 1.00 2.02 C ATOM 820 CD LYS A 49 3.139 10.981 -0.775 1.00 33.12 C ATOM 821 CE LYS A 49 2.596 11.109 0.646 1.00 4.21 C ATOM 822 NZ LYS A 49 3.662 11.495 1.597 1.00 71.02 N ATOM 0 H LYS A 49 4.264 7.742 -3.153 1.00 75.20 H new ATOM 0 HA LYS A 49 5.155 7.043 -0.395 1.00 74.51 H new ATOM 0 HB2 LYS A 49 2.551 8.392 -1.254 1.00 53.03 H new ATOM 0 HB3 LYS A 49 3.245 8.330 0.354 1.00 53.03 H new ATOM 0 HG2 LYS A 49 4.961 9.950 -0.223 1.00 2.02 H new ATOM 0 HG3 LYS A 49 4.578 9.849 -1.930 1.00 2.02 H new ATOM 0 HD2 LYS A 49 3.625 11.914 -1.058 1.00 33.12 H new ATOM 0 HD3 LYS A 49 2.308 10.832 -1.464 1.00 33.12 H new ATOM 0 HE2 LYS A 49 1.800 11.853 0.668 1.00 4.21 H new ATOM 0 HE3 LYS A 49 2.155 10.161 0.956 1.00 4.21 H new ATOM 0 HZ1 LYS A 49 3.771 10.752 2.317 1.00 71.02 H new ATOM 0 HZ2 LYS A 49 4.559 11.614 1.084 1.00 71.02 H new ATOM 0 HZ3 LYS A 49 3.407 12.391 2.060 1.00 71.02 H new ATOM 836 N VAL A 50 3.758 4.950 -0.372 1.00 51.24 N ATOM 837 CA VAL A 50 2.998 3.682 -0.342 1.00 70.42 C ATOM 838 C VAL A 50 2.489 3.415 1.082 1.00 21.32 C ATOM 839 O VAL A 50 3.253 3.523 2.034 1.00 14.54 O ATOM 840 CB VAL A 50 3.897 2.482 -0.836 1.00 62.24 C ATOM 841 CG1 VAL A 50 3.187 1.114 -0.677 1.00 33.13 C ATOM 842 CG2 VAL A 50 4.340 2.705 -2.304 1.00 10.03 C ATOM 0 H VAL A 50 4.513 4.989 0.313 1.00 51.24 H new ATOM 0 HA VAL A 50 2.145 3.769 -1.016 1.00 70.42 H new ATOM 0 HB VAL A 50 4.783 2.457 -0.201 1.00 62.24 H new ATOM 0 HG11 VAL A 50 3.845 0.320 -1.030 1.00 33.13 H new ATOM 0 HG12 VAL A 50 2.949 0.948 0.374 1.00 33.13 H new ATOM 0 HG13 VAL A 50 2.268 1.111 -1.263 1.00 33.13 H new ATOM 0 HG21 VAL A 50 4.959 1.868 -2.628 1.00 10.03 H new ATOM 0 HG22 VAL A 50 3.460 2.774 -2.943 1.00 10.03 H new ATOM 0 HG23 VAL A 50 4.913 3.629 -2.375 1.00 10.03 H new ATOM 852 N VAL A 51 1.194 3.075 1.219 1.00 61.01 N ATOM 853 CA VAL A 51 0.597 2.676 2.507 1.00 31.02 C ATOM 854 C VAL A 51 0.560 1.142 2.584 1.00 51.32 C ATOM 855 O VAL A 51 -0.016 0.504 1.707 1.00 12.32 O ATOM 856 CB VAL A 51 -0.863 3.239 2.685 1.00 65.23 C ATOM 857 CG1 VAL A 51 -1.464 2.840 4.053 1.00 20.43 C ATOM 858 CG2 VAL A 51 -0.894 4.764 2.508 1.00 34.54 C ATOM 0 H VAL A 51 0.533 3.069 0.442 1.00 61.01 H new ATOM 0 HA VAL A 51 1.211 3.092 3.305 1.00 31.02 H new ATOM 0 HB VAL A 51 -1.479 2.790 1.905 1.00 65.23 H new ATOM 0 HG11 VAL A 51 -2.472 3.246 4.140 1.00 20.43 H new ATOM 0 HG12 VAL A 51 -1.503 1.753 4.130 1.00 20.43 H new ATOM 0 HG13 VAL A 51 -0.842 3.239 4.854 1.00 20.43 H new ATOM 0 HG21 VAL A 51 -1.915 5.125 2.636 1.00 34.54 H new ATOM 0 HG22 VAL A 51 -0.248 5.230 3.252 1.00 34.54 H new ATOM 0 HG23 VAL A 51 -0.541 5.022 1.509 1.00 34.54 H new ATOM 868 N LEU A 52 1.181 0.562 3.614 1.00 12.25 N ATOM 869 CA LEU A 52 1.192 -0.897 3.829 1.00 5.01 C ATOM 870 C LEU A 52 0.264 -1.242 5.010 1.00 3.33 C ATOM 871 O LEU A 52 0.547 -0.878 6.160 1.00 52.31 O ATOM 872 CB LEU A 52 2.647 -1.386 4.069 1.00 2.13 C ATOM 873 CG LEU A 52 3.610 -1.310 2.832 1.00 4.14 C ATOM 874 CD1 LEU A 52 5.026 -1.801 3.180 1.00 34.23 C ATOM 875 CD2 LEU A 52 3.052 -2.100 1.642 1.00 71.32 C ATOM 0 H LEU A 52 1.692 1.085 4.325 1.00 12.25 H new ATOM 0 HA LEU A 52 0.819 -1.412 2.944 1.00 5.01 H new ATOM 0 HB2 LEU A 52 3.079 -0.796 4.878 1.00 2.13 H new ATOM 0 HB3 LEU A 52 2.610 -2.420 4.413 1.00 2.13 H new ATOM 0 HG LEU A 52 3.678 -0.260 2.548 1.00 4.14 H new ATOM 0 HD11 LEU A 52 5.662 -1.733 2.297 1.00 34.23 H new ATOM 0 HD12 LEU A 52 5.441 -1.181 3.975 1.00 34.23 H new ATOM 0 HD13 LEU A 52 4.980 -2.837 3.514 1.00 34.23 H new ATOM 0 HD21 LEU A 52 3.742 -2.028 0.801 1.00 71.32 H new ATOM 0 HD22 LEU A 52 2.932 -3.146 1.924 1.00 71.32 H new ATOM 0 HD23 LEU A 52 2.085 -1.689 1.354 1.00 71.32 H new ATOM 887 N VAL A 53 -0.865 -1.916 4.699 1.00 42.14 N ATOM 888 CA VAL A 53 -1.926 -2.245 5.674 1.00 23.44 C ATOM 889 C VAL A 53 -1.978 -3.769 5.913 1.00 73.53 C ATOM 890 O VAL A 53 -2.187 -4.548 4.965 1.00 40.45 O ATOM 891 CB VAL A 53 -3.351 -1.756 5.181 1.00 14.02 C ATOM 892 CG1 VAL A 53 -4.379 -1.754 6.346 1.00 21.02 C ATOM 893 CG2 VAL A 53 -3.273 -0.370 4.498 1.00 61.30 C ATOM 0 H VAL A 53 -1.066 -2.249 3.756 1.00 42.14 H new ATOM 0 HA VAL A 53 -1.682 -1.726 6.601 1.00 23.44 H new ATOM 0 HB VAL A 53 -3.699 -2.468 4.432 1.00 14.02 H new ATOM 0 HG11 VAL A 53 -5.347 -1.414 5.977 1.00 21.02 H new ATOM 0 HG12 VAL A 53 -4.477 -2.763 6.746 1.00 21.02 H new ATOM 0 HG13 VAL A 53 -4.035 -1.083 7.134 1.00 21.02 H new ATOM 0 HG21 VAL A 53 -4.269 -0.068 4.173 1.00 61.30 H new ATOM 0 HG22 VAL A 53 -2.884 0.363 5.205 1.00 61.30 H new ATOM 0 HG23 VAL A 53 -2.611 -0.427 3.634 1.00 61.30 H new ATOM 903 N GLY A 54 -1.782 -4.172 7.185 1.00 22.21 N ATOM 904 CA GLY A 54 -1.900 -5.573 7.612 1.00 12.42 C ATOM 905 C GLY A 54 -0.801 -6.483 7.073 1.00 73.31 C ATOM 906 O GLY A 54 -0.999 -7.698 6.967 1.00 74.31 O ATOM 0 H GLY A 54 -1.538 -3.533 7.941 1.00 22.21 H new ATOM 0 HA2 GLY A 54 -1.887 -5.612 8.701 1.00 12.42 H new ATOM 0 HA3 GLY A 54 -2.867 -5.959 7.290 1.00 12.42 H new ATOM 910 N VAL A 55 0.362 -5.895 6.737 1.00 4.14 N ATOM 911 CA VAL A 55 1.491 -6.633 6.136 1.00 42.33 C ATOM 912 C VAL A 55 2.467 -7.074 7.242 1.00 61.32 C ATOM 913 O VAL A 55 2.562 -6.421 8.298 1.00 64.03 O ATOM 914 CB VAL A 55 2.254 -5.761 5.058 1.00 70.11 C ATOM 915 CG1 VAL A 55 1.282 -5.250 3.962 1.00 11.35 C ATOM 916 CG2 VAL A 55 3.032 -4.585 5.713 1.00 53.53 C ATOM 0 H VAL A 55 0.546 -4.901 6.873 1.00 4.14 H new ATOM 0 HA VAL A 55 1.088 -7.509 5.627 1.00 42.33 H new ATOM 0 HB VAL A 55 2.989 -6.408 4.579 1.00 70.11 H new ATOM 0 HG11 VAL A 55 1.834 -4.654 3.235 1.00 11.35 H new ATOM 0 HG12 VAL A 55 0.821 -6.100 3.459 1.00 11.35 H new ATOM 0 HG13 VAL A 55 0.507 -4.636 4.421 1.00 11.35 H new ATOM 0 HG21 VAL A 55 3.542 -4.011 4.940 1.00 53.53 H new ATOM 0 HG22 VAL A 55 2.334 -3.938 6.244 1.00 53.53 H new ATOM 0 HG23 VAL A 55 3.766 -4.981 6.415 1.00 53.53 H new ATOM 926 N SER A 56 3.172 -8.187 7.000 1.00 61.23 N ATOM 927 CA SER A 56 4.277 -8.631 7.863 1.00 12.24 C ATOM 928 C SER A 56 5.423 -7.601 7.776 1.00 52.23 C ATOM 929 O SER A 56 5.644 -7.031 6.707 1.00 13.32 O ATOM 930 CB SER A 56 4.754 -10.028 7.404 1.00 44.45 C ATOM 931 OG SER A 56 3.669 -10.932 7.312 1.00 5.31 O ATOM 0 H SER A 56 2.995 -8.802 6.206 1.00 61.23 H new ATOM 0 HA SER A 56 3.947 -8.703 8.899 1.00 12.24 H new ATOM 0 HB2 SER A 56 5.247 -9.947 6.435 1.00 44.45 H new ATOM 0 HB3 SER A 56 5.493 -10.412 8.107 1.00 44.45 H new ATOM 0 HG SER A 56 3.997 -11.808 7.018 1.00 5.31 H new ATOM 937 N GLU A 57 6.137 -7.358 8.891 1.00 61.54 N ATOM 938 CA GLU A 57 7.229 -6.353 8.937 1.00 61.35 C ATOM 939 C GLU A 57 8.421 -6.759 8.042 1.00 42.15 C ATOM 940 O GLU A 57 9.167 -5.896 7.583 1.00 70.23 O ATOM 941 CB GLU A 57 7.688 -6.090 10.392 1.00 61.33 C ATOM 942 CG GLU A 57 6.639 -5.355 11.266 1.00 12.34 C ATOM 943 CD GLU A 57 7.140 -4.962 12.673 1.00 0.01 C ATOM 944 OE1 GLU A 57 8.365 -4.844 12.881 1.00 74.31 O ATOM 945 OE2 GLU A 57 6.305 -4.724 13.569 1.00 55.03 O ATOM 0 H GLU A 57 5.981 -7.842 9.775 1.00 61.54 H new ATOM 0 HA GLU A 57 6.827 -5.422 8.538 1.00 61.35 H new ATOM 0 HB2 GLU A 57 7.933 -7.043 10.862 1.00 61.33 H new ATOM 0 HB3 GLU A 57 8.604 -5.500 10.371 1.00 61.33 H new ATOM 0 HG2 GLU A 57 6.317 -4.454 10.744 1.00 12.34 H new ATOM 0 HG3 GLU A 57 5.762 -5.993 11.372 1.00 12.34 H new ATOM 952 N LYS A 58 8.568 -8.071 7.790 1.00 74.14 N ATOM 953 CA LYS A 58 9.555 -8.606 6.832 1.00 52.42 C ATOM 954 C LYS A 58 9.212 -8.151 5.391 1.00 64.12 C ATOM 955 O LYS A 58 10.106 -7.852 4.602 1.00 22.52 O ATOM 956 CB LYS A 58 9.629 -10.158 6.928 1.00 43.43 C ATOM 957 CG LYS A 58 8.281 -10.898 6.723 1.00 14.21 C ATOM 958 CD LYS A 58 8.380 -12.448 6.778 1.00 55.34 C ATOM 959 CE LYS A 58 8.794 -13.022 8.157 1.00 13.43 C ATOM 960 NZ LYS A 58 10.242 -12.871 8.454 1.00 75.44 N ATOM 0 H LYS A 58 8.007 -8.792 8.244 1.00 74.14 H new ATOM 0 HA LYS A 58 10.537 -8.209 7.087 1.00 52.42 H new ATOM 0 HB2 LYS A 58 10.340 -10.518 6.184 1.00 43.43 H new ATOM 0 HB3 LYS A 58 10.028 -10.427 7.906 1.00 43.43 H new ATOM 0 HG2 LYS A 58 7.578 -10.564 7.487 1.00 14.21 H new ATOM 0 HG3 LYS A 58 7.865 -10.607 5.758 1.00 14.21 H new ATOM 0 HD2 LYS A 58 7.415 -12.870 6.499 1.00 55.34 H new ATOM 0 HD3 LYS A 58 9.101 -12.779 6.031 1.00 55.34 H new ATOM 0 HE2 LYS A 58 8.218 -12.523 8.936 1.00 13.43 H new ATOM 0 HE3 LYS A 58 8.532 -14.079 8.194 1.00 13.43 H new ATOM 0 HZ1 LYS A 58 10.619 -13.772 8.810 1.00 75.44 H new ATOM 0 HZ2 LYS A 58 10.748 -12.603 7.586 1.00 75.44 H new ATOM 0 HZ3 LYS A 58 10.374 -12.132 9.174 1.00 75.44 H new ATOM 974 N LEU A 59 7.894 -8.087 5.087 1.00 11.04 N ATOM 975 CA LEU A 59 7.372 -7.573 3.805 1.00 12.22 C ATOM 976 C LEU A 59 7.448 -6.040 3.782 1.00 32.32 C ATOM 977 O LEU A 59 7.712 -5.453 2.752 1.00 31.41 O ATOM 978 CB LEU A 59 5.897 -8.023 3.590 1.00 31.34 C ATOM 979 CG LEU A 59 5.659 -9.557 3.431 1.00 62.25 C ATOM 980 CD1 LEU A 59 4.151 -9.888 3.448 1.00 55.22 C ATOM 981 CD2 LEU A 59 6.334 -10.092 2.145 1.00 35.20 C ATOM 0 H LEU A 59 7.163 -8.392 5.729 1.00 11.04 H new ATOM 0 HA LEU A 59 7.984 -7.980 3.000 1.00 12.22 H new ATOM 0 HB2 LEU A 59 5.305 -7.671 4.435 1.00 31.34 H new ATOM 0 HB3 LEU A 59 5.513 -7.523 2.701 1.00 31.34 H new ATOM 0 HG LEU A 59 6.119 -10.059 4.282 1.00 62.25 H new ATOM 0 HD11 LEU A 59 4.013 -10.963 3.335 1.00 55.22 H new ATOM 0 HD12 LEU A 59 3.718 -9.564 4.394 1.00 55.22 H new ATOM 0 HD13 LEU A 59 3.656 -9.371 2.626 1.00 55.22 H new ATOM 0 HD21 LEU A 59 6.153 -11.163 2.058 1.00 35.20 H new ATOM 0 HD22 LEU A 59 5.918 -9.582 1.276 1.00 35.20 H new ATOM 0 HD23 LEU A 59 7.407 -9.908 2.194 1.00 35.20 H new ATOM 993 N LEU A 60 7.213 -5.413 4.946 1.00 21.21 N ATOM 994 CA LEU A 60 7.192 -3.949 5.085 1.00 43.13 C ATOM 995 C LEU A 60 8.556 -3.347 4.716 1.00 23.10 C ATOM 996 O LEU A 60 8.635 -2.466 3.863 1.00 1.13 O ATOM 997 CB LEU A 60 6.739 -3.564 6.524 1.00 14.21 C ATOM 998 CG LEU A 60 6.714 -2.029 6.900 1.00 44.02 C ATOM 999 CD1 LEU A 60 5.544 -1.696 7.856 1.00 44.32 C ATOM 1000 CD2 LEU A 60 8.066 -1.567 7.521 1.00 63.21 C ATOM 0 H LEU A 60 7.032 -5.909 5.819 1.00 21.21 H new ATOM 0 HA LEU A 60 6.468 -3.527 4.387 1.00 43.13 H new ATOM 0 HB2 LEU A 60 5.737 -3.963 6.678 1.00 14.21 H new ATOM 0 HB3 LEU A 60 7.397 -4.072 7.230 1.00 14.21 H new ATOM 0 HG LEU A 60 6.562 -1.481 5.970 1.00 44.02 H new ATOM 0 HD11 LEU A 60 5.559 -0.632 8.092 1.00 44.32 H new ATOM 0 HD12 LEU A 60 4.599 -1.948 7.375 1.00 44.32 H new ATOM 0 HD13 LEU A 60 5.649 -2.273 8.775 1.00 44.32 H new ATOM 0 HD21 LEU A 60 8.010 -0.506 7.766 1.00 63.21 H new ATOM 0 HD22 LEU A 60 8.264 -2.139 8.427 1.00 63.21 H new ATOM 0 HD23 LEU A 60 8.871 -1.732 6.804 1.00 63.21 H new ATOM 1012 N GLN A 61 9.616 -3.877 5.351 1.00 75.00 N ATOM 1013 CA GLN A 61 11.010 -3.449 5.123 1.00 22.14 C ATOM 1014 C GLN A 61 11.465 -3.776 3.693 1.00 75.22 C ATOM 1015 O GLN A 61 12.185 -2.992 3.071 1.00 72.34 O ATOM 1016 CB GLN A 61 11.936 -4.141 6.157 1.00 71.11 C ATOM 1017 CG GLN A 61 11.663 -3.736 7.618 1.00 44.35 C ATOM 1018 CD GLN A 61 12.400 -4.623 8.624 1.00 15.53 C ATOM 1019 OE1 GLN A 61 13.534 -4.347 9.006 1.00 51.15 O ATOM 1020 NE2 GLN A 61 11.760 -5.701 9.054 1.00 50.44 N ATOM 0 H GLN A 61 9.530 -4.621 6.043 1.00 75.00 H new ATOM 0 HA GLN A 61 11.068 -2.368 5.248 1.00 22.14 H new ATOM 0 HB2 GLN A 61 11.823 -5.221 6.064 1.00 71.11 H new ATOM 0 HB3 GLN A 61 12.972 -3.907 5.914 1.00 71.11 H new ATOM 0 HG2 GLN A 61 11.964 -2.699 7.766 1.00 44.35 H new ATOM 0 HG3 GLN A 61 10.591 -3.788 7.811 1.00 44.35 H new ATOM 0 HE21 GLN A 61 10.818 -5.903 8.718 1.00 50.44 H new ATOM 0 HE22 GLN A 61 12.209 -6.329 9.721 1.00 50.44 H new ATOM 1029 N LYS A 62 11.017 -4.937 3.182 1.00 63.43 N ATOM 1030 CA LYS A 62 11.389 -5.424 1.844 1.00 12.10 C ATOM 1031 C LYS A 62 10.819 -4.501 0.757 1.00 23.25 C ATOM 1032 O LYS A 62 11.571 -3.944 -0.011 1.00 4.04 O ATOM 1033 CB LYS A 62 10.911 -6.883 1.658 1.00 2.31 C ATOM 1034 CG LYS A 62 11.352 -7.564 0.338 1.00 21.02 C ATOM 1035 CD LYS A 62 11.187 -9.103 0.386 1.00 11.54 C ATOM 1036 CE LYS A 62 9.739 -9.553 0.667 1.00 65.43 C ATOM 1037 NZ LYS A 62 9.665 -11.010 0.959 1.00 24.45 N ATOM 0 H LYS A 62 10.388 -5.562 3.685 1.00 63.43 H new ATOM 0 HA LYS A 62 12.475 -5.411 1.750 1.00 12.10 H new ATOM 0 HB2 LYS A 62 11.279 -7.477 2.494 1.00 2.31 H new ATOM 0 HB3 LYS A 62 9.822 -6.900 1.710 1.00 2.31 H new ATOM 0 HG2 LYS A 62 10.765 -7.164 -0.488 1.00 21.02 H new ATOM 0 HG3 LYS A 62 12.395 -7.319 0.136 1.00 21.02 H new ATOM 0 HD2 LYS A 62 11.514 -9.526 -0.564 1.00 11.54 H new ATOM 0 HD3 LYS A 62 11.842 -9.508 1.157 1.00 11.54 H new ATOM 0 HE2 LYS A 62 9.340 -8.991 1.512 1.00 65.43 H new ATOM 0 HE3 LYS A 62 9.112 -9.322 -0.194 1.00 65.43 H new ATOM 0 HZ1 LYS A 62 8.672 -11.287 1.093 1.00 24.45 H new ATOM 0 HZ2 LYS A 62 10.069 -11.544 0.164 1.00 24.45 H new ATOM 0 HZ3 LYS A 62 10.202 -11.218 1.825 1.00 24.45 H new ATOM 1051 N ILE A 63 9.491 -4.310 0.755 1.00 63.01 N ATOM 1052 CA ILE A 63 8.788 -3.411 -0.191 1.00 61.51 C ATOM 1053 C ILE A 63 9.316 -1.948 -0.055 1.00 52.33 C ATOM 1054 O ILE A 63 9.443 -1.240 -1.053 1.00 14.14 O ATOM 1055 CB ILE A 63 7.198 -3.496 -0.005 1.00 50.33 C ATOM 1056 CG1 ILE A 63 6.583 -4.777 -0.702 1.00 23.53 C ATOM 1057 CG2 ILE A 63 6.465 -2.225 -0.518 1.00 53.25 C ATOM 1058 CD1 ILE A 63 7.083 -6.133 -0.213 1.00 52.22 C ATOM 0 H ILE A 63 8.865 -4.775 1.412 1.00 63.01 H new ATOM 0 HA ILE A 63 9.004 -3.746 -1.206 1.00 61.51 H new ATOM 0 HB ILE A 63 7.038 -3.570 1.071 1.00 50.33 H new ATOM 0 HG12 ILE A 63 5.501 -4.747 -0.573 1.00 23.53 H new ATOM 0 HG13 ILE A 63 6.779 -4.708 -1.772 1.00 23.53 H new ATOM 0 HG21 ILE A 63 5.391 -2.338 -0.367 1.00 53.25 H new ATOM 0 HG22 ILE A 63 6.819 -1.354 0.033 1.00 53.25 H new ATOM 0 HG23 ILE A 63 6.670 -2.091 -1.580 1.00 53.25 H new ATOM 0 HD11 ILE A 63 6.585 -6.927 -0.770 1.00 52.22 H new ATOM 0 HD12 ILE A 63 8.160 -6.201 -0.368 1.00 52.22 H new ATOM 0 HD13 ILE A 63 6.862 -6.241 0.849 1.00 52.22 H new ATOM 1070 N LYS A 64 9.679 -1.542 1.182 1.00 62.21 N ATOM 1071 CA LYS A 64 10.210 -0.190 1.481 1.00 3.34 C ATOM 1072 C LYS A 64 11.521 0.062 0.695 1.00 21.34 C ATOM 1073 O LYS A 64 11.644 1.062 -0.012 1.00 1.53 O ATOM 1074 CB LYS A 64 10.432 -0.041 3.029 1.00 5.03 C ATOM 1075 CG LYS A 64 10.632 1.405 3.573 1.00 52.20 C ATOM 1076 CD LYS A 64 12.045 1.991 3.328 1.00 43.31 C ATOM 1077 CE LYS A 64 12.178 3.445 3.798 1.00 41.21 C ATOM 1078 NZ LYS A 64 13.527 3.992 3.516 1.00 4.11 N ATOM 0 H LYS A 64 9.613 -2.143 2.004 1.00 62.21 H new ATOM 0 HA LYS A 64 9.487 0.561 1.163 1.00 3.34 H new ATOM 0 HB2 LYS A 64 9.575 -0.481 3.539 1.00 5.03 H new ATOM 0 HB3 LYS A 64 11.305 -0.632 3.306 1.00 5.03 H new ATOM 0 HG2 LYS A 64 9.895 2.060 3.109 1.00 52.20 H new ATOM 0 HG3 LYS A 64 10.431 1.408 4.644 1.00 52.20 H new ATOM 0 HD2 LYS A 64 12.782 1.378 3.847 1.00 43.31 H new ATOM 0 HD3 LYS A 64 12.276 1.936 2.264 1.00 43.31 H new ATOM 0 HE2 LYS A 64 11.426 4.058 3.302 1.00 41.21 H new ATOM 0 HE3 LYS A 64 11.979 3.501 4.868 1.00 41.21 H new ATOM 0 HZ1 LYS A 64 13.579 4.976 3.848 1.00 4.11 H new ATOM 0 HZ2 LYS A 64 14.243 3.422 4.010 1.00 4.11 H new ATOM 0 HZ3 LYS A 64 13.707 3.962 2.492 1.00 4.11 H new ATOM 1092 N GLN A 65 12.477 -0.866 0.842 1.00 13.01 N ATOM 1093 CA GLN A 65 13.834 -0.746 0.263 1.00 34.14 C ATOM 1094 C GLN A 65 13.837 -1.071 -1.240 1.00 53.13 C ATOM 1095 O GLN A 65 14.384 -0.313 -2.047 1.00 10.34 O ATOM 1096 CB GLN A 65 14.812 -1.681 1.030 1.00 12.12 C ATOM 1097 CG GLN A 65 14.956 -1.339 2.528 1.00 1.22 C ATOM 1098 CD GLN A 65 15.764 -2.380 3.306 1.00 1.24 C ATOM 1099 OE1 GLN A 65 16.985 -2.285 3.415 1.00 14.12 O ATOM 1100 NE2 GLN A 65 15.086 -3.386 3.842 1.00 41.31 N ATOM 0 H GLN A 65 12.335 -1.728 1.368 1.00 13.01 H new ATOM 0 HA GLN A 65 14.165 0.287 0.371 1.00 34.14 H new ATOM 0 HB2 GLN A 65 14.466 -2.710 0.934 1.00 12.12 H new ATOM 0 HB3 GLN A 65 15.794 -1.629 0.559 1.00 12.12 H new ATOM 0 HG2 GLN A 65 15.437 -0.366 2.628 1.00 1.22 H new ATOM 0 HG3 GLN A 65 13.964 -1.252 2.972 1.00 1.22 H new ATOM 0 HE21 GLN A 65 14.073 -3.434 3.732 1.00 41.31 H new ATOM 0 HE22 GLN A 65 15.578 -4.112 4.364 1.00 41.31 H new ATOM 1109 N GLU A 66 13.184 -2.185 -1.599 1.00 3.42 N ATOM 1110 CA GLU A 66 13.196 -2.735 -2.967 1.00 22.51 C ATOM 1111 C GLU A 66 12.427 -1.830 -3.944 1.00 62.30 C ATOM 1112 O GLU A 66 12.888 -1.591 -5.060 1.00 12.24 O ATOM 1113 CB GLU A 66 12.622 -4.181 -2.984 1.00 34.33 C ATOM 1114 CG GLU A 66 13.440 -5.218 -2.187 1.00 41.15 C ATOM 1115 CD GLU A 66 14.895 -5.329 -2.662 1.00 61.43 C ATOM 1116 OE1 GLU A 66 15.144 -5.993 -3.686 1.00 32.31 O ATOM 1117 OE2 GLU A 66 15.791 -4.748 -2.020 1.00 73.03 O ATOM 0 H GLU A 66 12.628 -2.736 -0.945 1.00 3.42 H new ATOM 0 HA GLU A 66 14.233 -2.773 -3.300 1.00 22.51 H new ATOM 0 HB2 GLU A 66 11.608 -4.157 -2.586 1.00 34.33 H new ATOM 0 HB3 GLU A 66 12.551 -4.515 -4.019 1.00 34.33 H new ATOM 0 HG2 GLU A 66 13.428 -4.948 -1.131 1.00 41.15 H new ATOM 0 HG3 GLU A 66 12.961 -6.193 -2.272 1.00 41.15 H new ATOM 1124 N ALA A 67 11.253 -1.332 -3.524 1.00 54.25 N ATOM 1125 CA ALA A 67 10.481 -0.359 -4.321 1.00 44.55 C ATOM 1126 C ALA A 67 11.019 1.074 -4.108 1.00 21.12 C ATOM 1127 O ALA A 67 10.724 1.967 -4.913 1.00 54.03 O ATOM 1128 CB ALA A 67 8.989 -0.453 -3.991 1.00 60.11 C ATOM 0 H ALA A 67 10.816 -1.586 -2.638 1.00 54.25 H new ATOM 0 HA ALA A 67 10.603 -0.603 -5.376 1.00 44.55 H new ATOM 0 HB1 ALA A 67 8.438 0.272 -4.589 1.00 60.11 H new ATOM 0 HB2 ALA A 67 8.629 -1.457 -4.216 1.00 60.11 H new ATOM 0 HB3 ALA A 67 8.836 -0.241 -2.933 1.00 60.11 H new ATOM 1134 N ASN A 68 11.792 1.264 -3.007 1.00 23.31 N ATOM 1135 CA ASN A 68 12.503 2.526 -2.679 1.00 52.43 C ATOM 1136 C ASN A 68 11.485 3.670 -2.473 1.00 1.11 C ATOM 1137 O ASN A 68 11.445 4.646 -3.229 1.00 24.11 O ATOM 1138 CB ASN A 68 13.585 2.853 -3.759 1.00 14.51 C ATOM 1139 CG ASN A 68 14.530 4.005 -3.389 1.00 32.02 C ATOM 1140 OD1 ASN A 68 14.829 4.237 -2.218 1.00 64.22 O ATOM 1141 ND2 ASN A 68 15.014 4.730 -4.390 1.00 74.23 N ATOM 0 H ASN A 68 11.940 0.532 -2.312 1.00 23.31 H new ATOM 0 HA ASN A 68 13.041 2.405 -1.739 1.00 52.43 H new ATOM 0 HB2 ASN A 68 14.179 1.958 -3.942 1.00 14.51 H new ATOM 0 HB3 ASN A 68 13.083 3.099 -4.695 1.00 14.51 H new ATOM 0 HD21 ASN A 68 15.652 5.503 -4.198 1.00 74.23 H new ATOM 0 HD22 ASN A 68 14.748 4.514 -5.351 1.00 74.23 H new ATOM 1148 N VAL A 69 10.623 3.492 -1.448 1.00 23.11 N ATOM 1149 CA VAL A 69 9.460 4.370 -1.176 1.00 44.42 C ATOM 1150 C VAL A 69 9.363 4.756 0.308 1.00 3.31 C ATOM 1151 O VAL A 69 10.021 4.157 1.167 1.00 24.53 O ATOM 1152 CB VAL A 69 8.110 3.669 -1.603 1.00 14.42 C ATOM 1153 CG1 VAL A 69 8.017 3.522 -3.134 1.00 14.50 C ATOM 1154 CG2 VAL A 69 7.943 2.289 -0.900 1.00 2.25 C ATOM 0 H VAL A 69 10.715 2.728 -0.779 1.00 23.11 H new ATOM 0 HA VAL A 69 9.613 5.274 -1.766 1.00 44.42 H new ATOM 0 HB VAL A 69 7.291 4.310 -1.278 1.00 14.42 H new ATOM 0 HG11 VAL A 69 7.077 3.036 -3.396 1.00 14.50 H new ATOM 0 HG12 VAL A 69 8.058 4.508 -3.597 1.00 14.50 H new ATOM 0 HG13 VAL A 69 8.850 2.918 -3.493 1.00 14.50 H new ATOM 0 HG21 VAL A 69 7.005 1.832 -1.214 1.00 2.25 H new ATOM 0 HG22 VAL A 69 8.773 1.638 -1.174 1.00 2.25 H new ATOM 0 HG23 VAL A 69 7.934 2.430 0.181 1.00 2.25 H new ATOM 1164 N GLN A 70 8.533 5.778 0.576 1.00 72.43 N ATOM 1165 CA GLN A 70 8.130 6.172 1.932 1.00 34.44 C ATOM 1166 C GLN A 70 6.871 5.381 2.309 1.00 3.24 C ATOM 1167 O GLN A 70 5.807 5.580 1.712 1.00 3.41 O ATOM 1168 CB GLN A 70 7.852 7.704 2.005 1.00 61.15 C ATOM 1169 CG GLN A 70 9.106 8.608 1.998 1.00 31.14 C ATOM 1170 CD GLN A 70 9.983 8.491 0.748 1.00 53.43 C ATOM 1171 OE1 GLN A 70 9.771 9.189 -0.242 1.00 60.31 O ATOM 1172 NE2 GLN A 70 10.983 7.620 0.785 1.00 50.42 N ATOM 0 H GLN A 70 8.119 6.359 -0.153 1.00 72.43 H new ATOM 0 HA GLN A 70 8.935 5.951 2.633 1.00 34.44 H new ATOM 0 HB2 GLN A 70 7.220 7.982 1.161 1.00 61.15 H new ATOM 0 HB3 GLN A 70 7.282 7.910 2.911 1.00 61.15 H new ATOM 0 HG2 GLN A 70 8.788 9.645 2.104 1.00 31.14 H new ATOM 0 HG3 GLN A 70 9.712 8.369 2.872 1.00 31.14 H new ATOM 0 HE21 GLN A 70 11.136 7.054 1.620 1.00 50.42 H new ATOM 0 HE22 GLN A 70 11.599 7.517 -0.021 1.00 50.42 H new ATOM 1181 N VAL A 71 7.007 4.500 3.304 1.00 11.14 N ATOM 1182 CA VAL A 71 5.938 3.597 3.752 1.00 33.44 C ATOM 1183 C VAL A 71 5.183 4.186 4.954 1.00 54.32 C ATOM 1184 O VAL A 71 5.783 4.545 5.972 1.00 71.43 O ATOM 1185 CB VAL A 71 6.517 2.170 4.106 1.00 53.22 C ATOM 1186 CG1 VAL A 71 5.507 1.309 4.919 1.00 13.44 C ATOM 1187 CG2 VAL A 71 6.949 1.442 2.806 1.00 22.01 C ATOM 0 H VAL A 71 7.874 4.391 3.830 1.00 11.14 H new ATOM 0 HA VAL A 71 5.231 3.486 2.930 1.00 33.44 H new ATOM 0 HB VAL A 71 7.389 2.311 4.745 1.00 53.22 H new ATOM 0 HG11 VAL A 71 5.951 0.338 5.138 1.00 13.44 H new ATOM 0 HG12 VAL A 71 5.265 1.817 5.853 1.00 13.44 H new ATOM 0 HG13 VAL A 71 4.597 1.169 4.336 1.00 13.44 H new ATOM 0 HG21 VAL A 71 7.348 0.459 3.055 1.00 22.01 H new ATOM 0 HG22 VAL A 71 6.087 1.328 2.149 1.00 22.01 H new ATOM 0 HG23 VAL A 71 7.717 2.027 2.299 1.00 22.01 H new ATOM 1197 N TYR A 72 3.856 4.288 4.796 1.00 33.53 N ATOM 1198 CA TYR A 72 2.920 4.699 5.837 1.00 34.33 C ATOM 1199 C TYR A 72 2.205 3.452 6.366 1.00 50.00 C ATOM 1200 O TYR A 72 1.409 2.825 5.658 1.00 34.52 O ATOM 1201 CB TYR A 72 1.920 5.727 5.260 1.00 34.24 C ATOM 1202 CG TYR A 72 2.584 7.065 4.897 1.00 12.10 C ATOM 1203 CD1 TYR A 72 3.271 7.240 3.685 1.00 74.00 C ATOM 1204 CD2 TYR A 72 2.545 8.148 5.784 1.00 24.50 C ATOM 1205 CE1 TYR A 72 3.884 8.445 3.379 1.00 61.50 C ATOM 1206 CE2 TYR A 72 3.156 9.346 5.477 1.00 50.54 C ATOM 1207 CZ TYR A 72 3.823 9.490 4.280 1.00 44.34 C ATOM 1208 OH TYR A 72 4.438 10.685 3.988 1.00 61.51 O ATOM 0 H TYR A 72 3.396 4.079 3.910 1.00 33.53 H new ATOM 0 HA TYR A 72 3.446 5.179 6.663 1.00 34.33 H new ATOM 0 HB2 TYR A 72 1.448 5.308 4.371 1.00 34.24 H new ATOM 0 HB3 TYR A 72 1.128 5.905 5.988 1.00 34.24 H new ATOM 0 HD1 TYR A 72 3.323 6.423 2.980 1.00 74.00 H new ATOM 0 HD2 TYR A 72 2.027 8.043 6.726 1.00 24.50 H new ATOM 0 HE1 TYR A 72 4.406 8.566 2.441 1.00 61.50 H new ATOM 0 HE2 TYR A 72 3.112 10.170 6.174 1.00 50.54 H new ATOM 0 HH TYR A 72 4.298 11.314 4.727 1.00 61.51 H new ATOM 1218 N ARG A 73 2.541 3.071 7.593 1.00 32.52 N ATOM 1219 CA ARG A 73 1.976 1.898 8.262 1.00 21.32 C ATOM 1220 C ARG A 73 0.703 2.315 9.012 1.00 23.41 C ATOM 1221 O ARG A 73 0.781 3.049 10.008 1.00 55.33 O ATOM 1222 CB ARG A 73 3.034 1.322 9.237 1.00 34.33 C ATOM 1223 CG ARG A 73 2.581 0.083 10.044 1.00 30.30 C ATOM 1224 CD ARG A 73 3.660 -0.389 11.031 1.00 74.31 C ATOM 1225 NE ARG A 73 3.269 -1.619 11.740 1.00 74.14 N ATOM 1226 CZ ARG A 73 4.106 -2.400 12.436 1.00 71.45 C ATOM 1227 NH1 ARG A 73 5.397 -2.100 12.537 1.00 50.31 N ATOM 1228 NH2 ARG A 73 3.653 -3.491 13.024 1.00 2.24 N ATOM 0 H ARG A 73 3.223 3.573 8.162 1.00 32.52 H new ATOM 0 HA ARG A 73 1.713 1.128 7.537 1.00 21.32 H new ATOM 0 HB2 ARG A 73 3.925 1.058 8.667 1.00 34.33 H new ATOM 0 HB3 ARG A 73 3.324 2.105 9.937 1.00 34.33 H new ATOM 0 HG2 ARG A 73 1.669 0.321 10.591 1.00 30.30 H new ATOM 0 HG3 ARG A 73 2.339 -0.728 9.357 1.00 30.30 H new ATOM 0 HD2 ARG A 73 4.591 -0.563 10.492 1.00 74.31 H new ATOM 0 HD3 ARG A 73 3.855 0.400 11.757 1.00 74.31 H new ATOM 0 HE ARG A 73 2.288 -1.897 11.698 1.00 74.14 H new ATOM 0 HH11 ARG A 73 5.764 -1.265 12.081 1.00 50.31 H new ATOM 0 HH12 ARG A 73 6.021 -2.705 13.071 1.00 50.31 H new ATOM 0 HH21 ARG A 73 2.667 -3.739 12.948 1.00 2.24 H new ATOM 0 HH22 ARG A 73 4.289 -4.086 13.554 1.00 2.24 H new ATOM 1242 N VAL A 74 -0.471 1.894 8.501 1.00 20.42 N ATOM 1243 CA VAL A 74 -1.769 2.177 9.149 1.00 44.53 C ATOM 1244 C VAL A 74 -2.435 0.848 9.553 1.00 64.23 C ATOM 1245 O VAL A 74 -2.379 -0.150 8.818 1.00 24.23 O ATOM 1246 CB VAL A 74 -2.738 3.054 8.239 1.00 63.44 C ATOM 1247 CG1 VAL A 74 -2.002 4.301 7.676 1.00 72.01 C ATOM 1248 CG2 VAL A 74 -3.394 2.242 7.098 1.00 1.14 C ATOM 0 H VAL A 74 -0.548 1.355 7.639 1.00 20.42 H new ATOM 0 HA VAL A 74 -1.575 2.776 10.039 1.00 44.53 H new ATOM 0 HB VAL A 74 -3.546 3.390 8.889 1.00 63.44 H new ATOM 0 HG11 VAL A 74 -2.688 4.881 7.059 1.00 72.01 H new ATOM 0 HG12 VAL A 74 -1.647 4.918 8.502 1.00 72.01 H new ATOM 0 HG13 VAL A 74 -1.153 3.981 7.072 1.00 72.01 H new ATOM 0 HG21 VAL A 74 -4.043 2.894 6.513 1.00 1.14 H new ATOM 0 HG22 VAL A 74 -2.618 1.829 6.453 1.00 1.14 H new ATOM 0 HG23 VAL A 74 -3.984 1.430 7.522 1.00 1.14 H new ATOM 1258 N THR A 75 -2.989 0.836 10.765 1.00 11.05 N ATOM 1259 CA THR A 75 -3.809 -0.269 11.296 1.00 54.24 C ATOM 1260 C THR A 75 -5.272 0.186 11.450 1.00 53.52 C ATOM 1261 O THR A 75 -6.157 -0.623 11.749 1.00 2.44 O ATOM 1262 CB THR A 75 -3.254 -0.758 12.676 1.00 22.41 C ATOM 1263 OG1 THR A 75 -3.101 0.366 13.561 1.00 52.02 O ATOM 1264 CG2 THR A 75 -1.901 -1.477 12.532 1.00 74.15 C ATOM 0 H THR A 75 -2.882 1.607 11.424 1.00 11.05 H new ATOM 0 HA THR A 75 -3.764 -1.099 10.591 1.00 54.24 H new ATOM 0 HB THR A 75 -3.971 -1.470 13.085 1.00 22.41 H new ATOM 0 HG1 THR A 75 -2.755 0.058 14.425 1.00 52.02 H new ATOM 0 HG21 THR A 75 -1.554 -1.799 13.514 1.00 74.15 H new ATOM 0 HG22 THR A 75 -2.018 -2.347 11.885 1.00 74.15 H new ATOM 0 HG23 THR A 75 -1.171 -0.795 12.095 1.00 74.15 H new ATOM 1272 N SER A 76 -5.514 1.485 11.217 1.00 74.41 N ATOM 1273 CA SER A 76 -6.824 2.120 11.384 1.00 52.51 C ATOM 1274 C SER A 76 -7.139 2.940 10.127 1.00 50.24 C ATOM 1275 O SER A 76 -6.221 3.510 9.509 1.00 73.14 O ATOM 1276 CB SER A 76 -6.797 3.034 12.629 1.00 42.41 C ATOM 1277 OG SER A 76 -6.455 2.302 13.798 1.00 52.25 O ATOM 0 H SER A 76 -4.791 2.132 10.902 1.00 74.41 H new ATOM 0 HA SER A 76 -7.595 1.363 11.524 1.00 52.51 H new ATOM 0 HB2 SER A 76 -6.077 3.838 12.477 1.00 42.41 H new ATOM 0 HB3 SER A 76 -7.773 3.501 12.762 1.00 42.41 H new ATOM 0 HG SER A 76 -6.444 2.905 14.570 1.00 52.25 H new ATOM 1283 N ASN A 77 -8.441 2.999 9.764 1.00 74.51 N ATOM 1284 CA ASN A 77 -8.928 3.791 8.611 1.00 63.31 C ATOM 1285 C ASN A 77 -8.611 5.284 8.803 1.00 52.14 C ATOM 1286 O ASN A 77 -8.353 5.981 7.835 1.00 34.30 O ATOM 1287 CB ASN A 77 -10.466 3.593 8.379 1.00 44.21 C ATOM 1288 CG ASN A 77 -11.398 4.280 9.412 1.00 43.12 C ATOM 1289 OD1 ASN A 77 -12.482 4.751 9.066 1.00 4.14 O ATOM 1290 ND2 ASN A 77 -11.031 4.298 10.683 1.00 73.10 N ATOM 0 H ASN A 77 -9.181 2.501 10.260 1.00 74.51 H new ATOM 0 HA ASN A 77 -8.405 3.428 7.726 1.00 63.31 H new ATOM 0 HB2 ASN A 77 -10.716 3.968 7.386 1.00 44.21 H new ATOM 0 HB3 ASN A 77 -10.680 2.524 8.379 1.00 44.21 H new ATOM 0 HD21 ASN A 77 -11.648 4.704 11.386 1.00 73.10 H new ATOM 0 HD22 ASN A 77 -10.131 3.905 10.960 1.00 73.10 H new ATOM 1297 N ASP A 78 -8.596 5.719 10.084 1.00 62.12 N ATOM 1298 CA ASP A 78 -8.389 7.120 10.502 1.00 62.04 C ATOM 1299 C ASP A 78 -7.076 7.674 9.939 1.00 33.41 C ATOM 1300 O ASP A 78 -7.054 8.733 9.300 1.00 73.22 O ATOM 1301 CB ASP A 78 -8.365 7.210 12.052 1.00 53.42 C ATOM 1302 CG ASP A 78 -9.579 6.551 12.719 1.00 71.42 C ATOM 1303 OD1 ASP A 78 -10.616 7.230 12.921 1.00 62.44 O ATOM 1304 OD2 ASP A 78 -9.506 5.339 13.038 1.00 44.03 O ATOM 0 H ASP A 78 -8.731 5.087 10.873 1.00 62.12 H new ATOM 0 HA ASP A 78 -9.213 7.716 10.111 1.00 62.04 H new ATOM 0 HB2 ASP A 78 -7.455 6.737 12.422 1.00 53.42 H new ATOM 0 HB3 ASP A 78 -8.322 8.258 12.347 1.00 53.42 H new ATOM 1309 N GLU A 79 -5.992 6.905 10.169 1.00 41.22 N ATOM 1310 CA GLU A 79 -4.635 7.260 9.728 1.00 20.22 C ATOM 1311 C GLU A 79 -4.536 7.234 8.202 1.00 53.13 C ATOM 1312 O GLU A 79 -3.921 8.113 7.606 1.00 21.21 O ATOM 1313 CB GLU A 79 -3.596 6.297 10.352 1.00 20.41 C ATOM 1314 CG GLU A 79 -3.574 6.306 11.888 1.00 41.42 C ATOM 1315 CD GLU A 79 -3.277 7.691 12.494 1.00 72.54 C ATOM 1316 OE1 GLU A 79 -2.114 8.141 12.424 1.00 64.15 O ATOM 1317 OE2 GLU A 79 -4.203 8.338 13.036 1.00 61.42 O ATOM 0 H GLU A 79 -6.038 6.017 10.669 1.00 41.22 H new ATOM 0 HA GLU A 79 -4.420 8.273 10.067 1.00 20.22 H new ATOM 0 HB2 GLU A 79 -3.804 5.284 10.008 1.00 20.41 H new ATOM 0 HB3 GLU A 79 -2.605 6.561 9.984 1.00 20.41 H new ATOM 0 HG2 GLU A 79 -4.537 5.956 12.259 1.00 41.42 H new ATOM 0 HG3 GLU A 79 -2.822 5.598 12.236 1.00 41.42 H new ATOM 1324 N LEU A 80 -5.190 6.223 7.588 1.00 24.24 N ATOM 1325 CA LEU A 80 -5.242 6.049 6.123 1.00 72.41 C ATOM 1326 C LEU A 80 -5.828 7.318 5.464 1.00 40.13 C ATOM 1327 O LEU A 80 -5.277 7.819 4.483 1.00 33.04 O ATOM 1328 CB LEU A 80 -6.073 4.763 5.790 1.00 64.34 C ATOM 1329 CG LEU A 80 -6.213 4.313 4.282 1.00 63.01 C ATOM 1330 CD1 LEU A 80 -7.371 5.011 3.546 1.00 25.21 C ATOM 1331 CD2 LEU A 80 -4.883 4.492 3.505 1.00 72.11 C ATOM 0 H LEU A 80 -5.699 5.502 8.100 1.00 24.24 H new ATOM 0 HA LEU A 80 -4.239 5.913 5.718 1.00 72.41 H new ATOM 0 HB2 LEU A 80 -5.631 3.933 6.342 1.00 64.34 H new ATOM 0 HB3 LEU A 80 -7.078 4.909 6.185 1.00 64.34 H new ATOM 0 HG LEU A 80 -6.455 3.251 4.313 1.00 63.01 H new ATOM 0 HD11 LEU A 80 -7.413 4.658 2.516 1.00 25.21 H new ATOM 0 HD12 LEU A 80 -8.312 4.781 4.047 1.00 25.21 H new ATOM 0 HD13 LEU A 80 -7.210 6.089 3.554 1.00 25.21 H new ATOM 0 HD21 LEU A 80 -5.019 4.172 2.472 1.00 72.11 H new ATOM 0 HD22 LEU A 80 -4.589 5.541 3.524 1.00 72.11 H new ATOM 0 HD23 LEU A 80 -4.105 3.889 3.972 1.00 72.11 H new ATOM 1343 N GLU A 81 -6.910 7.844 6.076 1.00 23.03 N ATOM 1344 CA GLU A 81 -7.594 9.070 5.626 1.00 14.23 C ATOM 1345 C GLU A 81 -6.637 10.270 5.657 1.00 73.20 C ATOM 1346 O GLU A 81 -6.625 11.069 4.720 1.00 20.21 O ATOM 1347 CB GLU A 81 -8.844 9.332 6.506 1.00 50.22 C ATOM 1348 CG GLU A 81 -9.928 8.239 6.383 1.00 45.20 C ATOM 1349 CD GLU A 81 -11.057 8.393 7.409 1.00 33.33 C ATOM 1350 OE1 GLU A 81 -11.922 9.269 7.225 1.00 62.32 O ATOM 1351 OE2 GLU A 81 -11.090 7.644 8.406 1.00 2.53 O ATOM 0 H GLU A 81 -7.335 7.425 6.903 1.00 23.03 H new ATOM 0 HA GLU A 81 -7.919 8.933 4.595 1.00 14.23 H new ATOM 0 HB2 GLU A 81 -8.534 9.409 7.548 1.00 50.22 H new ATOM 0 HB3 GLU A 81 -9.277 10.294 6.230 1.00 50.22 H new ATOM 0 HG2 GLU A 81 -10.351 8.267 5.379 1.00 45.20 H new ATOM 0 HG3 GLU A 81 -9.464 7.260 6.506 1.00 45.20 H new ATOM 1358 N GLN A 82 -5.795 10.334 6.716 1.00 53.12 N ATOM 1359 CA GLN A 82 -4.821 11.428 6.908 1.00 50.35 C ATOM 1360 C GLN A 82 -3.704 11.365 5.848 1.00 42.14 C ATOM 1361 O GLN A 82 -3.253 12.398 5.355 1.00 34.32 O ATOM 1362 CB GLN A 82 -4.193 11.392 8.333 1.00 34.34 C ATOM 1363 CG GLN A 82 -5.198 11.398 9.507 1.00 61.45 C ATOM 1364 CD GLN A 82 -6.279 12.480 9.398 1.00 54.23 C ATOM 1365 OE1 GLN A 82 -6.088 13.617 9.833 1.00 63.23 O ATOM 1366 NE2 GLN A 82 -7.438 12.119 8.858 1.00 74.50 N ATOM 0 H GLN A 82 -5.774 9.632 7.455 1.00 53.12 H new ATOM 0 HA GLN A 82 -5.367 12.365 6.795 1.00 50.35 H new ATOM 0 HB2 GLN A 82 -3.572 10.500 8.414 1.00 34.34 H new ATOM 0 HB3 GLN A 82 -3.531 12.251 8.441 1.00 34.34 H new ATOM 0 HG2 GLN A 82 -5.680 10.422 9.564 1.00 61.45 H new ATOM 0 HG3 GLN A 82 -4.651 11.538 10.439 1.00 61.45 H new ATOM 0 HE21 GLN A 82 -7.563 11.169 8.507 1.00 74.50 H new ATOM 0 HE22 GLN A 82 -8.202 12.791 8.794 1.00 74.50 H new ATOM 1375 N VAL A 83 -3.274 10.138 5.500 1.00 54.44 N ATOM 1376 CA VAL A 83 -2.210 9.921 4.500 1.00 21.33 C ATOM 1377 C VAL A 83 -2.704 10.315 3.088 1.00 33.12 C ATOM 1378 O VAL A 83 -1.935 10.852 2.274 1.00 3.33 O ATOM 1379 CB VAL A 83 -1.687 8.434 4.505 1.00 30.41 C ATOM 1380 CG1 VAL A 83 -0.525 8.253 3.497 1.00 34.23 C ATOM 1381 CG2 VAL A 83 -1.247 7.994 5.926 1.00 41.44 C ATOM 0 H VAL A 83 -3.649 9.277 5.899 1.00 54.44 H new ATOM 0 HA VAL A 83 -1.372 10.562 4.775 1.00 21.33 H new ATOM 0 HB VAL A 83 -2.514 7.795 4.196 1.00 30.41 H new ATOM 0 HG11 VAL A 83 -0.182 7.219 3.519 1.00 34.23 H new ATOM 0 HG12 VAL A 83 -0.872 8.498 2.493 1.00 34.23 H new ATOM 0 HG13 VAL A 83 0.298 8.914 3.768 1.00 34.23 H new ATOM 0 HG21 VAL A 83 -0.892 6.964 5.894 1.00 41.44 H new ATOM 0 HG22 VAL A 83 -0.445 8.644 6.276 1.00 41.44 H new ATOM 0 HG23 VAL A 83 -2.095 8.065 6.608 1.00 41.44 H new ATOM 1391 N VAL A 84 -4.003 10.065 2.817 1.00 24.13 N ATOM 1392 CA VAL A 84 -4.647 10.476 1.555 1.00 44.13 C ATOM 1393 C VAL A 84 -4.800 12.017 1.505 1.00 54.04 C ATOM 1394 O VAL A 84 -4.675 12.624 0.440 1.00 32.45 O ATOM 1395 CB VAL A 84 -6.035 9.766 1.325 1.00 63.45 C ATOM 1396 CG1 VAL A 84 -6.665 10.187 -0.027 1.00 22.21 C ATOM 1397 CG2 VAL A 84 -5.893 8.223 1.393 1.00 74.41 C ATOM 0 H VAL A 84 -4.627 9.578 3.460 1.00 24.13 H new ATOM 0 HA VAL A 84 -3.995 10.157 0.742 1.00 44.13 H new ATOM 0 HB VAL A 84 -6.700 10.086 2.127 1.00 63.45 H new ATOM 0 HG11 VAL A 84 -7.621 9.680 -0.156 1.00 22.21 H new ATOM 0 HG12 VAL A 84 -6.822 11.266 -0.035 1.00 22.21 H new ATOM 0 HG13 VAL A 84 -5.995 9.912 -0.842 1.00 22.21 H new ATOM 0 HG21 VAL A 84 -6.867 7.761 1.231 1.00 74.41 H new ATOM 0 HG22 VAL A 84 -5.199 7.887 0.623 1.00 74.41 H new ATOM 0 HG23 VAL A 84 -5.514 7.935 2.374 1.00 74.41 H new ATOM 1407 N LYS A 85 -5.032 12.646 2.673 1.00 52.13 N ATOM 1408 CA LYS A 85 -5.047 14.122 2.785 1.00 73.15 C ATOM 1409 C LYS A 85 -3.653 14.701 2.464 1.00 51.04 C ATOM 1410 O LYS A 85 -3.537 15.769 1.854 1.00 42.41 O ATOM 1411 CB LYS A 85 -5.479 14.580 4.205 1.00 33.03 C ATOM 1412 CG LYS A 85 -6.928 14.225 4.601 1.00 74.10 C ATOM 1413 CD LYS A 85 -7.388 14.858 5.944 1.00 43.52 C ATOM 1414 CE LYS A 85 -7.740 16.366 5.835 1.00 33.34 C ATOM 1415 NZ LYS A 85 -6.572 17.242 5.556 1.00 13.25 N ATOM 0 H LYS A 85 -5.211 12.159 3.551 1.00 52.13 H new ATOM 0 HA LYS A 85 -5.774 14.496 2.064 1.00 73.15 H new ATOM 0 HB2 LYS A 85 -4.801 14.135 4.934 1.00 33.03 H new ATOM 0 HB3 LYS A 85 -5.356 15.661 4.273 1.00 33.03 H new ATOM 0 HG2 LYS A 85 -7.601 14.551 3.808 1.00 74.10 H new ATOM 0 HG3 LYS A 85 -7.020 13.141 4.671 1.00 74.10 H new ATOM 0 HD2 LYS A 85 -8.260 14.316 6.311 1.00 43.52 H new ATOM 0 HD3 LYS A 85 -6.598 14.731 6.685 1.00 43.52 H new ATOM 0 HE2 LYS A 85 -8.478 16.500 5.044 1.00 33.34 H new ATOM 0 HE3 LYS A 85 -8.208 16.687 6.766 1.00 33.34 H new ATOM 0 HZ1 LYS A 85 -6.709 18.162 6.021 1.00 13.25 H new ATOM 0 HZ2 LYS A 85 -5.707 16.795 5.922 1.00 13.25 H new ATOM 0 HZ3 LYS A 85 -6.481 17.383 4.530 1.00 13.25 H new ATOM 1429 N ASP A 86 -2.609 13.966 2.893 1.00 65.14 N ATOM 1430 CA ASP A 86 -1.209 14.394 2.773 1.00 41.14 C ATOM 1431 C ASP A 86 -0.748 14.395 1.300 1.00 72.23 C ATOM 1432 O ASP A 86 -0.207 15.401 0.824 1.00 31.22 O ATOM 1433 CB ASP A 86 -0.299 13.486 3.641 1.00 51.31 C ATOM 1434 CG ASP A 86 1.176 13.927 3.631 1.00 2.31 C ATOM 1435 OD1 ASP A 86 1.531 14.879 4.359 1.00 52.31 O ATOM 1436 OD2 ASP A 86 1.984 13.340 2.893 1.00 54.43 O ATOM 0 H ASP A 86 -2.718 13.053 3.335 1.00 65.14 H new ATOM 0 HA ASP A 86 -1.130 15.418 3.139 1.00 41.14 H new ATOM 0 HB2 ASP A 86 -0.666 13.488 4.667 1.00 51.31 H new ATOM 0 HB3 ASP A 86 -0.368 12.460 3.280 1.00 51.31 H new ATOM 1441 N VAL A 87 -0.994 13.271 0.580 1.00 1.50 N ATOM 1442 CA VAL A 87 -0.590 13.122 -0.841 1.00 74.21 C ATOM 1443 C VAL A 87 -1.261 14.184 -1.729 1.00 4.25 C ATOM 1444 O VAL A 87 -0.618 14.752 -2.623 1.00 62.35 O ATOM 1445 CB VAL A 87 -0.899 11.681 -1.411 1.00 35.35 C ATOM 1446 CG1 VAL A 87 -2.380 11.291 -1.236 1.00 11.00 C ATOM 1447 CG2 VAL A 87 -0.487 11.559 -2.899 1.00 24.43 C ATOM 0 H VAL A 87 -1.471 12.454 0.961 1.00 1.50 H new ATOM 0 HA VAL A 87 0.490 13.267 -0.864 1.00 74.21 H new ATOM 0 HB VAL A 87 -0.299 10.984 -0.826 1.00 35.35 H new ATOM 0 HG11 VAL A 87 -2.544 10.293 -1.643 1.00 11.00 H new ATOM 0 HG12 VAL A 87 -2.635 11.298 -0.176 1.00 11.00 H new ATOM 0 HG13 VAL A 87 -3.010 12.006 -1.765 1.00 11.00 H new ATOM 0 HG21 VAL A 87 -0.714 10.555 -3.258 1.00 24.43 H new ATOM 0 HG22 VAL A 87 -1.039 12.289 -3.490 1.00 24.43 H new ATOM 0 HG23 VAL A 87 0.582 11.746 -2.997 1.00 24.43 H new