USER MOD reduce.3.24.130724 H: found=0, std=0, add=1077, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1078 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 109 THR OG1 : rot -82:sc= 0.85 USER MOD Set 1.2: A 110 GLN :FLIP amide:sc= -0.0786 F(o=-1.2,f=0.77) USER MOD Set 2.1: A 78 ASN : amide:sc= 0.138 K(o=0.37,f=-2.7!) USER MOD Set 2.2: A 104 ASN : amide:sc= 0.228 K(o=0.37,f=-3.2) USER MOD Set 3.1: A 68 TYR OH : rot -1:sc= -0.735 USER MOD Set 3.2: A 88 HIS : no HD1:sc= -0.232 K(o=-0.97,f=-9!) USER MOD Set 4.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 50 ASN : amide:sc= 0.316 K(o=0.32,f=-0.59) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc=-0.00886 (180deg=-0.173) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.0075 (180deg=-0.19) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.096 USER MOD Single : A 24 TYR OH : rot -85:sc= 1.1 USER MOD Single : A 26 GLN : amide:sc= -0.356 K(o=-0.36,f=-8.6!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.615 K(o=-0.61,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.27) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 0.249 (180deg=0.159) USER MOD Single : A 54 THR OG1 : rot -96:sc= 0.637 USER MOD Single : A 56 LYS NZ :NH3+ -155:sc= 1.07 (180deg=0.296) USER MOD Single : A 64 TYR OH : rot -67:sc= 0.742 USER MOD Single : A 65 SER OG : rot -168:sc= 0.511 USER MOD Single : A 66 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -121:sc= 0.513 (180deg=0.149) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 69:sc= 0.477 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.603 (180deg=0.557) USER MOD Single : A 86 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= 0.342 (180deg=0.119) USER MOD Single : A 97 GLN : amide:sc= -0.722 K(o=-0.72,f=-5.8!) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 0.428 (180deg=0.416) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0695 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 117 ASN : amide:sc= -0.0109 X(o=-0.011,f=-0.13) USER MOD Single : A 121 ASN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0.201 X(o=0.2,f=0) USER MOD Single : A 125 TYR OH : rot 30:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N VAL A 3 15.087 6.639 -10.766 1.00 43.33 N ATOM 43 CA VAL A 3 13.661 6.573 -10.383 1.00 25.11 C ATOM 44 C VAL A 3 13.094 5.182 -10.729 1.00 12.42 C ATOM 45 O VAL A 3 13.136 4.760 -11.893 1.00 53.12 O ATOM 46 CB VAL A 3 12.813 7.691 -11.099 1.00 65.21 C ATOM 47 CG1 VAL A 3 11.315 7.625 -10.686 1.00 25.12 C ATOM 48 CG2 VAL A 3 13.414 9.099 -10.833 1.00 41.14 C ATOM 0 HA VAL A 3 13.594 6.743 -9.308 1.00 25.11 H new ATOM 0 HB VAL A 3 12.859 7.506 -12.172 1.00 65.21 H new ATOM 0 HG11 VAL A 3 10.761 8.411 -11.199 1.00 25.12 H new ATOM 0 HG12 VAL A 3 10.904 6.653 -10.960 1.00 25.12 H new ATOM 0 HG13 VAL A 3 11.228 7.765 -9.608 1.00 25.12 H new ATOM 0 HG21 VAL A 3 12.811 9.853 -11.338 1.00 41.14 H new ATOM 0 HG22 VAL A 3 13.419 9.296 -9.761 1.00 41.14 H new ATOM 0 HG23 VAL A 3 14.435 9.137 -11.213 1.00 41.14 H new ATOM 58 N PHE A 4 12.586 4.468 -9.707 1.00 32.12 N ATOM 59 CA PHE A 4 11.884 3.189 -9.903 1.00 33.43 C ATOM 60 C PHE A 4 10.499 3.449 -10.540 1.00 65.43 C ATOM 61 O PHE A 4 9.532 3.780 -9.858 1.00 60.43 O ATOM 62 CB PHE A 4 11.766 2.415 -8.560 1.00 5.12 C ATOM 63 CG PHE A 4 13.100 1.859 -8.055 1.00 32.20 C ATOM 64 CD1 PHE A 4 14.053 2.698 -7.468 1.00 55.54 C ATOM 65 CD2 PHE A 4 13.407 0.500 -8.186 1.00 12.41 C ATOM 66 CE1 PHE A 4 15.258 2.196 -7.025 1.00 41.23 C ATOM 67 CE2 PHE A 4 14.612 0.001 -7.739 1.00 41.33 C ATOM 68 CZ PHE A 4 15.539 0.849 -7.163 1.00 73.55 C ATOM 0 H PHE A 4 12.650 4.759 -8.732 1.00 32.12 H new ATOM 0 HA PHE A 4 12.459 2.562 -10.584 1.00 33.43 H new ATOM 0 HB2 PHE A 4 11.348 3.079 -7.803 1.00 5.12 H new ATOM 0 HB3 PHE A 4 11.063 1.592 -8.685 1.00 5.12 H new ATOM 0 HD1 PHE A 4 13.842 3.752 -7.361 1.00 55.54 H new ATOM 0 HD2 PHE A 4 12.691 -0.167 -8.643 1.00 12.41 H new ATOM 0 HE1 PHE A 4 15.983 2.855 -6.570 1.00 41.23 H new ATOM 0 HE2 PHE A 4 14.831 -1.052 -7.839 1.00 41.33 H new ATOM 0 HZ PHE A 4 16.486 0.459 -6.820 1.00 73.55 H new ATOM 78 N LYS A 5 10.465 3.379 -11.871 1.00 63.22 N ATOM 79 CA LYS A 5 9.242 3.527 -12.682 1.00 62.04 C ATOM 80 C LYS A 5 9.109 2.309 -13.616 1.00 3.45 C ATOM 81 O LYS A 5 10.126 1.715 -14.010 1.00 14.53 O ATOM 82 CB LYS A 5 9.300 4.854 -13.492 1.00 30.54 C ATOM 83 CG LYS A 5 10.540 4.982 -14.410 1.00 1.13 C ATOM 84 CD LYS A 5 10.597 6.325 -15.180 1.00 12.22 C ATOM 85 CE LYS A 5 11.816 6.415 -16.116 1.00 64.33 C ATOM 86 NZ LYS A 5 11.822 7.668 -16.922 1.00 65.51 N ATOM 0 H LYS A 5 11.300 3.215 -12.433 1.00 63.22 H new ATOM 0 HA LYS A 5 8.366 3.570 -12.034 1.00 62.04 H new ATOM 0 HB2 LYS A 5 8.400 4.934 -14.102 1.00 30.54 H new ATOM 0 HB3 LYS A 5 9.289 5.693 -12.796 1.00 30.54 H new ATOM 0 HG2 LYS A 5 11.442 4.879 -13.807 1.00 1.13 H new ATOM 0 HG3 LYS A 5 10.539 4.160 -15.126 1.00 1.13 H new ATOM 0 HD2 LYS A 5 9.685 6.445 -15.764 1.00 12.22 H new ATOM 0 HD3 LYS A 5 10.629 7.148 -14.467 1.00 12.22 H new ATOM 0 HE2 LYS A 5 12.730 6.363 -15.524 1.00 64.33 H new ATOM 0 HE3 LYS A 5 11.820 5.555 -16.786 1.00 64.33 H new ATOM 0 HZ1 LYS A 5 12.661 7.682 -17.536 1.00 65.51 H new ATOM 0 HZ2 LYS A 5 10.964 7.708 -17.508 1.00 65.51 H new ATOM 0 HZ3 LYS A 5 11.845 8.490 -16.285 1.00 65.51 H new ATOM 100 N ARG A 6 7.870 1.927 -13.982 1.00 40.20 N ATOM 101 CA ARG A 6 7.637 0.721 -14.798 1.00 31.41 C ATOM 102 C ARG A 6 7.790 1.049 -16.296 1.00 32.33 C ATOM 103 O ARG A 6 7.093 1.923 -16.817 1.00 31.15 O ATOM 104 CB ARG A 6 6.229 0.124 -14.528 1.00 72.43 C ATOM 105 CG ARG A 6 6.012 -1.266 -15.177 1.00 54.14 C ATOM 106 CD ARG A 6 4.604 -1.854 -14.946 1.00 64.15 C ATOM 107 NE ARG A 6 4.478 -3.204 -15.529 1.00 33.53 N ATOM 108 CZ ARG A 6 4.315 -3.470 -16.814 1.00 11.23 C ATOM 109 NH1 ARG A 6 4.100 -2.525 -17.685 1.00 22.45 N ATOM 110 NH2 ARG A 6 4.337 -4.696 -17.213 1.00 42.45 N ATOM 0 H ARG A 6 7.021 2.432 -13.727 1.00 40.20 H new ATOM 0 HA ARG A 6 8.383 -0.022 -14.517 1.00 31.41 H new ATOM 0 HB2 ARG A 6 6.079 0.041 -13.452 1.00 72.43 H new ATOM 0 HB3 ARG A 6 5.473 0.813 -14.903 1.00 72.43 H new ATOM 0 HG2 ARG A 6 6.190 -1.187 -16.249 1.00 54.14 H new ATOM 0 HG3 ARG A 6 6.754 -1.960 -14.781 1.00 54.14 H new ATOM 0 HD2 ARG A 6 4.398 -1.898 -13.877 1.00 64.15 H new ATOM 0 HD3 ARG A 6 3.857 -1.195 -15.388 1.00 64.15 H new ATOM 0 HE ARG A 6 4.520 -3.997 -14.888 1.00 33.53 H new ATOM 0 HH11 ARG A 6 4.054 -1.552 -17.381 1.00 22.45 H new ATOM 0 HH12 ARG A 6 3.978 -2.758 -18.670 1.00 22.45 H new ATOM 0 HH21 ARG A 6 4.479 -5.449 -16.540 1.00 42.45 H new ATOM 0 HH22 ARG A 6 4.212 -4.913 -18.202 1.00 42.45 H new ATOM 124 N VAL A 7 8.705 0.345 -16.974 1.00 44.51 N ATOM 125 CA VAL A 7 8.931 0.498 -18.421 1.00 1.15 C ATOM 126 C VAL A 7 7.898 -0.364 -19.200 1.00 22.20 C ATOM 127 O VAL A 7 7.799 -1.574 -18.976 1.00 32.41 O ATOM 128 CB VAL A 7 10.405 0.078 -18.789 1.00 5.24 C ATOM 129 CG1 VAL A 7 10.697 0.266 -20.298 1.00 32.22 C ATOM 130 CG2 VAL A 7 11.436 0.844 -17.912 1.00 14.22 C ATOM 0 H VAL A 7 9.312 -0.348 -16.536 1.00 44.51 H new ATOM 0 HA VAL A 7 8.799 1.543 -18.701 1.00 1.15 H new ATOM 0 HB VAL A 7 10.506 -0.986 -18.575 1.00 5.24 H new ATOM 0 HG11 VAL A 7 11.723 -0.035 -20.510 1.00 32.22 H new ATOM 0 HG12 VAL A 7 10.011 -0.349 -20.881 1.00 32.22 H new ATOM 0 HG13 VAL A 7 10.563 1.314 -20.567 1.00 32.22 H new ATOM 0 HG21 VAL A 7 12.445 0.537 -18.185 1.00 14.22 H new ATOM 0 HG22 VAL A 7 11.327 1.916 -18.075 1.00 14.22 H new ATOM 0 HG23 VAL A 7 11.259 0.617 -16.861 1.00 14.22 H new ATOM 140 N ALA A 8 7.110 0.279 -20.074 1.00 41.33 N ATOM 141 CA ALA A 8 6.043 -0.387 -20.851 1.00 62.44 C ATOM 142 C ALA A 8 6.615 -1.414 -21.867 1.00 65.31 C ATOM 143 O ALA A 8 7.030 -1.047 -22.975 1.00 42.41 O ATOM 144 CB ALA A 8 5.176 0.672 -21.555 1.00 44.11 C ATOM 0 H ALA A 8 7.191 1.278 -20.266 1.00 41.33 H new ATOM 0 HA ALA A 8 5.420 -0.952 -20.158 1.00 62.44 H new ATOM 0 HB1 ALA A 8 4.391 0.178 -22.127 1.00 44.11 H new ATOM 0 HB2 ALA A 8 4.725 1.327 -20.810 1.00 44.11 H new ATOM 0 HB3 ALA A 8 5.798 1.262 -22.228 1.00 44.11 H new ATOM 150 N GLY A 9 6.679 -2.694 -21.444 1.00 41.41 N ATOM 151 CA GLY A 9 7.089 -3.804 -22.325 1.00 61.52 C ATOM 152 C GLY A 9 8.440 -4.441 -21.966 1.00 62.03 C ATOM 153 O GLY A 9 8.971 -5.233 -22.751 1.00 13.24 O ATOM 0 H GLY A 9 6.450 -2.983 -20.493 1.00 41.41 H new ATOM 0 HA2 GLY A 9 6.320 -4.576 -22.297 1.00 61.52 H new ATOM 0 HA3 GLY A 9 7.136 -3.438 -23.351 1.00 61.52 H new ATOM 157 N ILE A 10 8.996 -4.106 -20.779 1.00 25.12 N ATOM 158 CA ILE A 10 10.272 -4.684 -20.286 1.00 4.45 C ATOM 159 C ILE A 10 10.065 -6.173 -19.827 1.00 63.10 C ATOM 160 O ILE A 10 9.534 -6.441 -18.739 1.00 74.21 O ATOM 161 CB ILE A 10 10.891 -3.774 -19.126 1.00 4.22 C ATOM 162 CG1 ILE A 10 12.330 -4.236 -18.712 1.00 64.32 C ATOM 163 CG2 ILE A 10 9.966 -3.661 -17.878 1.00 41.53 C ATOM 164 CD1 ILE A 10 13.420 -3.875 -19.709 1.00 1.02 C ATOM 0 H ILE A 10 8.578 -3.432 -20.138 1.00 25.12 H new ATOM 0 HA ILE A 10 10.992 -4.697 -21.104 1.00 4.45 H new ATOM 0 HB ILE A 10 10.970 -2.775 -19.555 1.00 4.22 H new ATOM 0 HG12 ILE A 10 12.577 -3.793 -17.747 1.00 64.32 H new ATOM 0 HG13 ILE A 10 12.325 -5.317 -18.574 1.00 64.32 H new ATOM 0 HG21 ILE A 10 10.443 -3.031 -17.127 1.00 41.53 H new ATOM 0 HG22 ILE A 10 9.013 -3.220 -18.170 1.00 41.53 H new ATOM 0 HG23 ILE A 10 9.794 -4.654 -17.462 1.00 41.53 H new ATOM 0 HD11 ILE A 10 14.382 -4.233 -19.342 1.00 1.02 H new ATOM 0 HD12 ILE A 10 13.203 -4.341 -20.670 1.00 1.02 H new ATOM 0 HD13 ILE A 10 13.458 -2.792 -19.830 1.00 1.02 H new ATOM 176 N LYS A 11 10.399 -7.161 -20.703 1.00 42.15 N ATOM 177 CA LYS A 11 10.317 -8.608 -20.348 1.00 52.34 C ATOM 178 C LYS A 11 11.284 -9.010 -19.223 1.00 20.12 C ATOM 179 O LYS A 11 11.003 -9.974 -18.500 1.00 34.15 O ATOM 180 CB LYS A 11 10.588 -9.495 -21.603 1.00 21.32 C ATOM 181 CG LYS A 11 9.417 -9.594 -22.602 1.00 1.24 C ATOM 182 CD LYS A 11 8.168 -10.275 -21.975 1.00 25.25 C ATOM 183 CE LYS A 11 7.116 -10.675 -23.025 1.00 51.44 C ATOM 184 NZ LYS A 11 7.618 -11.738 -23.942 1.00 3.40 N ATOM 0 H LYS A 11 10.725 -6.985 -21.653 1.00 42.15 H new ATOM 0 HA LYS A 11 9.304 -8.773 -19.982 1.00 52.34 H new ATOM 0 HB2 LYS A 11 11.459 -9.100 -22.126 1.00 21.32 H new ATOM 0 HB3 LYS A 11 10.846 -10.500 -21.269 1.00 21.32 H new ATOM 0 HG2 LYS A 11 9.150 -8.595 -22.947 1.00 1.24 H new ATOM 0 HG3 LYS A 11 9.736 -10.159 -23.478 1.00 1.24 H new ATOM 0 HD2 LYS A 11 8.481 -11.162 -21.425 1.00 25.25 H new ATOM 0 HD3 LYS A 11 7.714 -9.596 -21.253 1.00 25.25 H new ATOM 0 HE2 LYS A 11 6.216 -11.027 -22.521 1.00 51.44 H new ATOM 0 HE3 LYS A 11 6.833 -9.798 -23.607 1.00 51.44 H new ATOM 0 HZ1 LYS A 11 6.821 -12.144 -24.472 1.00 3.40 H new ATOM 0 HZ2 LYS A 11 8.303 -11.327 -24.608 1.00 3.40 H new ATOM 0 HZ3 LYS A 11 8.081 -12.485 -23.387 1.00 3.40 H new ATOM 198 N ASP A 12 12.451 -8.339 -19.163 1.00 12.55 N ATOM 199 CA ASP A 12 13.400 -8.438 -18.031 1.00 14.12 C ATOM 200 C ASP A 12 12.682 -8.415 -16.656 1.00 33.12 C ATOM 201 O ASP A 12 12.333 -7.351 -16.124 1.00 53.50 O ATOM 202 CB ASP A 12 14.446 -7.299 -18.109 1.00 23.45 C ATOM 203 CG ASP A 12 15.301 -7.372 -19.381 1.00 64.11 C ATOM 204 OD1 ASP A 12 14.854 -6.881 -20.441 1.00 15.42 O ATOM 205 OD2 ASP A 12 16.406 -7.952 -19.342 1.00 1.21 O ATOM 0 H ASP A 12 12.766 -7.709 -19.901 1.00 12.55 H new ATOM 0 HA ASP A 12 13.904 -9.401 -18.115 1.00 14.12 H new ATOM 0 HB2 ASP A 12 13.934 -6.337 -18.074 1.00 23.45 H new ATOM 0 HB3 ASP A 12 15.096 -7.346 -17.235 1.00 23.45 H new ATOM 210 N LYS A 13 12.454 -9.629 -16.115 1.00 50.24 N ATOM 211 CA LYS A 13 11.804 -9.839 -14.806 1.00 51.13 C ATOM 212 C LYS A 13 12.733 -9.428 -13.645 1.00 53.20 C ATOM 213 O LYS A 13 12.312 -9.399 -12.502 1.00 0.24 O ATOM 214 CB LYS A 13 11.332 -11.314 -14.657 1.00 40.14 C ATOM 215 CG LYS A 13 10.257 -11.747 -15.683 1.00 71.12 C ATOM 216 CD LYS A 13 8.974 -10.874 -15.603 1.00 23.22 C ATOM 217 CE LYS A 13 7.856 -11.379 -16.526 1.00 52.15 C ATOM 218 NZ LYS A 13 7.416 -12.754 -16.165 1.00 73.11 N ATOM 0 H LYS A 13 12.718 -10.498 -16.579 1.00 50.24 H new ATOM 0 HA LYS A 13 10.924 -9.197 -14.761 1.00 51.13 H new ATOM 0 HB2 LYS A 13 12.196 -11.971 -14.755 1.00 40.14 H new ATOM 0 HB3 LYS A 13 10.936 -11.456 -13.652 1.00 40.14 H new ATOM 0 HG2 LYS A 13 10.673 -11.685 -16.689 1.00 71.12 H new ATOM 0 HG3 LYS A 13 9.994 -12.791 -15.511 1.00 71.12 H new ATOM 0 HD2 LYS A 13 8.612 -10.860 -14.575 1.00 23.22 H new ATOM 0 HD3 LYS A 13 9.222 -9.846 -15.868 1.00 23.22 H new ATOM 0 HE2 LYS A 13 7.005 -10.700 -16.471 1.00 52.15 H new ATOM 0 HE3 LYS A 13 8.206 -11.369 -17.558 1.00 52.15 H new ATOM 0 HZ1 LYS A 13 6.526 -12.974 -16.656 1.00 73.11 H new ATOM 0 HZ2 LYS A 13 8.146 -13.438 -16.449 1.00 73.11 H new ATOM 0 HZ3 LYS A 13 7.268 -12.812 -15.137 1.00 73.11 H new ATOM 232 N ALA A 14 14.007 -9.138 -13.969 1.00 60.22 N ATOM 233 CA ALA A 14 14.957 -8.514 -13.036 1.00 0.21 C ATOM 234 C ALA A 14 14.491 -7.078 -12.687 1.00 72.24 C ATOM 235 O ALA A 14 14.536 -6.668 -11.525 1.00 52.20 O ATOM 236 CB ALA A 14 16.367 -8.506 -13.648 1.00 5.42 C ATOM 0 H ALA A 14 14.405 -9.331 -14.888 1.00 60.22 H new ATOM 0 HA ALA A 14 14.991 -9.094 -12.114 1.00 0.21 H new ATOM 0 HB1 ALA A 14 17.064 -8.042 -12.950 1.00 5.42 H new ATOM 0 HB2 ALA A 14 16.682 -9.530 -13.849 1.00 5.42 H new ATOM 0 HB3 ALA A 14 16.356 -7.940 -14.580 1.00 5.42 H new ATOM 242 N ALA A 15 14.012 -6.339 -13.716 1.00 4.21 N ATOM 243 CA ALA A 15 13.452 -4.978 -13.562 1.00 74.12 C ATOM 244 C ALA A 15 12.100 -4.994 -12.814 1.00 71.23 C ATOM 245 O ALA A 15 11.839 -4.131 -11.969 1.00 32.40 O ATOM 246 CB ALA A 15 13.284 -4.319 -14.939 1.00 62.32 C ATOM 0 H ALA A 15 14.004 -6.673 -14.680 1.00 4.21 H new ATOM 0 HA ALA A 15 14.154 -4.398 -12.963 1.00 74.12 H new ATOM 0 HB1 ALA A 15 12.871 -3.318 -14.815 1.00 62.32 H new ATOM 0 HB2 ALA A 15 14.254 -4.253 -15.432 1.00 62.32 H new ATOM 0 HB3 ALA A 15 12.607 -4.918 -15.549 1.00 62.32 H new ATOM 252 N ILE A 16 11.238 -5.972 -13.156 1.00 71.31 N ATOM 253 CA ILE A 16 9.929 -6.164 -12.485 1.00 13.25 C ATOM 254 C ILE A 16 10.110 -6.535 -10.988 1.00 12.12 C ATOM 255 O ILE A 16 9.456 -5.962 -10.126 1.00 35.41 O ATOM 256 CB ILE A 16 9.064 -7.265 -13.229 1.00 73.31 C ATOM 257 CG1 ILE A 16 8.800 -6.848 -14.717 1.00 14.11 C ATOM 258 CG2 ILE A 16 7.726 -7.566 -12.491 1.00 51.33 C ATOM 259 CD1 ILE A 16 7.991 -5.564 -14.908 1.00 41.32 C ATOM 0 H ILE A 16 11.423 -6.647 -13.898 1.00 71.31 H new ATOM 0 HA ILE A 16 9.394 -5.216 -12.535 1.00 13.25 H new ATOM 0 HB ILE A 16 9.644 -8.188 -13.222 1.00 73.31 H new ATOM 0 HG12 ILE A 16 9.760 -6.729 -15.219 1.00 14.11 H new ATOM 0 HG13 ILE A 16 8.278 -7.664 -15.217 1.00 14.11 H new ATOM 0 HG21 ILE A 16 7.171 -8.326 -13.040 1.00 51.33 H new ATOM 0 HG22 ILE A 16 7.939 -7.928 -11.485 1.00 51.33 H new ATOM 0 HG23 ILE A 16 7.131 -6.655 -12.430 1.00 51.33 H new ATOM 0 HD11 ILE A 16 7.866 -5.368 -15.973 1.00 41.32 H new ATOM 0 HD12 ILE A 16 7.012 -5.678 -14.443 1.00 41.32 H new ATOM 0 HD13 ILE A 16 8.518 -4.730 -14.444 1.00 41.32 H new ATOM 271 N LYS A 17 11.037 -7.463 -10.699 1.00 23.52 N ATOM 272 CA LYS A 17 11.267 -7.998 -9.328 1.00 25.42 C ATOM 273 C LYS A 17 11.993 -6.983 -8.395 1.00 74.54 C ATOM 274 O LYS A 17 11.712 -6.938 -7.194 1.00 75.44 O ATOM 275 CB LYS A 17 12.027 -9.348 -9.440 1.00 42.44 C ATOM 276 CG LYS A 17 12.380 -10.070 -8.113 1.00 12.42 C ATOM 277 CD LYS A 17 12.772 -11.557 -8.330 1.00 55.34 C ATOM 278 CE LYS A 17 13.888 -11.757 -9.385 1.00 23.50 C ATOM 279 NZ LYS A 17 15.192 -11.165 -8.971 1.00 35.05 N ATOM 0 H LYS A 17 11.653 -7.870 -11.403 1.00 23.52 H new ATOM 0 HA LYS A 17 10.301 -8.169 -8.853 1.00 25.42 H new ATOM 0 HB2 LYS A 17 11.425 -10.026 -10.045 1.00 42.44 H new ATOM 0 HB3 LYS A 17 12.954 -9.171 -9.986 1.00 42.44 H new ATOM 0 HG2 LYS A 17 13.204 -9.548 -7.627 1.00 12.42 H new ATOM 0 HG3 LYS A 17 11.527 -10.018 -7.437 1.00 12.42 H new ATOM 0 HD2 LYS A 17 13.101 -11.979 -7.381 1.00 55.34 H new ATOM 0 HD3 LYS A 17 11.888 -12.116 -8.638 1.00 55.34 H new ATOM 0 HE2 LYS A 17 14.021 -12.823 -9.568 1.00 23.50 H new ATOM 0 HE3 LYS A 17 13.574 -11.308 -10.328 1.00 23.50 H new ATOM 0 HZ1 LYS A 17 15.900 -11.329 -9.715 1.00 35.05 H new ATOM 0 HZ2 LYS A 17 15.077 -10.142 -8.822 1.00 35.05 H new ATOM 0 HZ3 LYS A 17 15.510 -11.610 -8.086 1.00 35.05 H new ATOM 293 N THR A 18 12.932 -6.182 -8.950 1.00 35.23 N ATOM 294 CA THR A 18 13.565 -5.052 -8.185 1.00 1.25 C ATOM 295 C THR A 18 12.532 -3.934 -7.865 1.00 61.32 C ATOM 296 O THR A 18 12.655 -3.232 -6.858 1.00 35.51 O ATOM 297 CB THR A 18 14.820 -4.430 -8.905 1.00 20.32 C ATOM 298 OG1 THR A 18 15.529 -3.557 -7.999 1.00 45.34 O ATOM 299 CG2 THR A 18 14.459 -3.634 -10.169 1.00 74.14 C ATOM 0 H THR A 18 13.272 -6.284 -9.906 1.00 35.23 H new ATOM 0 HA THR A 18 13.918 -5.496 -7.254 1.00 1.25 H new ATOM 0 HB THR A 18 15.445 -5.270 -9.208 1.00 20.32 H new ATOM 0 HG1 THR A 18 16.308 -3.176 -8.455 1.00 45.34 H new ATOM 0 HG21 THR A 18 15.367 -3.232 -10.618 1.00 74.14 H new ATOM 0 HG22 THR A 18 13.962 -4.291 -10.883 1.00 74.14 H new ATOM 0 HG23 THR A 18 13.791 -2.814 -9.904 1.00 74.14 H new ATOM 307 N LEU A 19 11.534 -3.791 -8.756 1.00 2.40 N ATOM 308 CA LEU A 19 10.378 -2.877 -8.571 1.00 65.24 C ATOM 309 C LEU A 19 9.480 -3.397 -7.413 1.00 3.34 C ATOM 310 O LEU A 19 9.061 -2.627 -6.541 1.00 34.31 O ATOM 311 CB LEU A 19 9.611 -2.765 -9.931 1.00 4.52 C ATOM 312 CG LEU A 19 8.479 -1.681 -10.075 1.00 14.11 C ATOM 313 CD1 LEU A 19 8.221 -1.360 -11.566 1.00 22.40 C ATOM 314 CD2 LEU A 19 7.156 -2.096 -9.367 1.00 23.13 C ATOM 0 H LEU A 19 11.501 -4.309 -9.634 1.00 2.40 H new ATOM 0 HA LEU A 19 10.707 -1.877 -8.288 1.00 65.24 H new ATOM 0 HB2 LEU A 19 10.348 -2.578 -10.712 1.00 4.52 H new ATOM 0 HB3 LEU A 19 9.165 -3.738 -10.140 1.00 4.52 H new ATOM 0 HG LEU A 19 8.836 -0.782 -9.573 1.00 14.11 H new ATOM 0 HD11 LEU A 19 7.435 -0.609 -11.646 1.00 22.40 H new ATOM 0 HD12 LEU A 19 9.136 -0.978 -12.020 1.00 22.40 H new ATOM 0 HD13 LEU A 19 7.910 -2.267 -12.085 1.00 22.40 H new ATOM 0 HD21 LEU A 19 6.411 -1.311 -9.499 1.00 23.13 H new ATOM 0 HD22 LEU A 19 6.786 -3.024 -9.802 1.00 23.13 H new ATOM 0 HD23 LEU A 19 7.343 -2.243 -8.303 1.00 23.13 H new ATOM 326 N ILE A 20 9.217 -4.717 -7.432 1.00 54.12 N ATOM 327 CA ILE A 20 8.448 -5.435 -6.388 1.00 73.13 C ATOM 328 C ILE A 20 9.124 -5.317 -4.992 1.00 10.14 C ATOM 329 O ILE A 20 8.455 -5.039 -3.994 1.00 12.34 O ATOM 330 CB ILE A 20 8.280 -6.953 -6.810 1.00 42.42 C ATOM 331 CG1 ILE A 20 7.358 -7.070 -8.063 1.00 1.31 C ATOM 332 CG2 ILE A 20 7.750 -7.836 -5.660 1.00 25.43 C ATOM 333 CD1 ILE A 20 7.245 -8.464 -8.653 1.00 4.42 C ATOM 0 H ILE A 20 9.536 -5.328 -8.184 1.00 54.12 H new ATOM 0 HA ILE A 20 7.464 -4.973 -6.303 1.00 73.13 H new ATOM 0 HB ILE A 20 9.273 -7.326 -7.060 1.00 42.42 H new ATOM 0 HG12 ILE A 20 6.360 -6.725 -7.794 1.00 1.31 H new ATOM 0 HG13 ILE A 20 7.731 -6.396 -8.834 1.00 1.31 H new ATOM 0 HG21 ILE A 20 7.655 -8.865 -6.006 1.00 25.43 H new ATOM 0 HG22 ILE A 20 8.446 -7.798 -4.822 1.00 25.43 H new ATOM 0 HG23 ILE A 20 6.775 -7.469 -5.339 1.00 25.43 H new ATOM 0 HD11 ILE A 20 6.583 -8.440 -9.519 1.00 4.42 H new ATOM 0 HD12 ILE A 20 8.232 -8.810 -8.960 1.00 4.42 H new ATOM 0 HD13 ILE A 20 6.839 -9.144 -7.904 1.00 4.42 H new ATOM 345 N SER A 21 10.455 -5.507 -4.952 1.00 62.34 N ATOM 346 CA SER A 21 11.254 -5.424 -3.705 1.00 53.25 C ATOM 347 C SER A 21 11.332 -3.971 -3.169 1.00 73.11 C ATOM 348 O SER A 21 11.328 -3.747 -1.953 1.00 44.14 O ATOM 349 CB SER A 21 12.676 -5.968 -3.954 1.00 3.02 C ATOM 350 OG SER A 21 13.468 -5.890 -2.784 1.00 44.40 O ATOM 0 H SER A 21 11.011 -5.722 -5.779 1.00 62.34 H new ATOM 0 HA SER A 21 10.755 -6.032 -2.950 1.00 53.25 H new ATOM 0 HB2 SER A 21 12.618 -7.004 -4.288 1.00 3.02 H new ATOM 0 HB3 SER A 21 13.150 -5.401 -4.755 1.00 3.02 H new ATOM 0 HG SER A 21 14.363 -6.243 -2.971 1.00 44.40 H new ATOM 356 N ALA A 22 11.420 -3.002 -4.103 1.00 11.53 N ATOM 357 CA ALA A 22 11.374 -1.548 -3.789 1.00 11.51 C ATOM 358 C ALA A 22 10.022 -1.160 -3.140 1.00 20.41 C ATOM 359 O ALA A 22 9.966 -0.316 -2.239 1.00 33.24 O ATOM 360 CB ALA A 22 11.618 -0.719 -5.064 1.00 53.01 C ATOM 0 H ALA A 22 11.525 -3.199 -5.098 1.00 11.53 H new ATOM 0 HA ALA A 22 12.165 -1.330 -3.072 1.00 11.51 H new ATOM 0 HB1 ALA A 22 11.582 0.343 -4.820 1.00 53.01 H new ATOM 0 HB2 ALA A 22 12.597 -0.964 -5.475 1.00 53.01 H new ATOM 0 HB3 ALA A 22 10.848 -0.949 -5.800 1.00 53.01 H new ATOM 366 N ALA A 23 8.950 -1.819 -3.611 1.00 12.43 N ATOM 367 CA ALA A 23 7.576 -1.624 -3.114 1.00 52.04 C ATOM 368 C ALA A 23 7.380 -2.232 -1.701 1.00 1.01 C ATOM 369 O ALA A 23 6.770 -1.611 -0.831 1.00 71.50 O ATOM 370 CB ALA A 23 6.588 -2.240 -4.119 1.00 21.53 C ATOM 0 H ALA A 23 9.013 -2.511 -4.357 1.00 12.43 H new ATOM 0 HA ALA A 23 7.387 -0.554 -3.022 1.00 52.04 H new ATOM 0 HB1 ALA A 23 5.569 -2.100 -3.759 1.00 21.53 H new ATOM 0 HB2 ALA A 23 6.701 -1.751 -5.087 1.00 21.53 H new ATOM 0 HB3 ALA A 23 6.793 -3.305 -4.224 1.00 21.53 H new ATOM 376 N TYR A 24 7.922 -3.446 -1.481 1.00 54.14 N ATOM 377 CA TYR A 24 7.773 -4.179 -0.196 1.00 54.33 C ATOM 378 C TYR A 24 8.567 -3.506 0.947 1.00 61.34 C ATOM 379 O TYR A 24 8.033 -3.261 2.033 1.00 61.13 O ATOM 380 CB TYR A 24 8.234 -5.654 -0.367 1.00 35.33 C ATOM 381 CG TYR A 24 7.345 -6.546 -1.266 1.00 54.21 C ATOM 382 CD1 TYR A 24 6.198 -6.062 -1.915 1.00 21.20 C ATOM 383 CD2 TYR A 24 7.664 -7.893 -1.452 1.00 72.02 C ATOM 384 CE1 TYR A 24 5.423 -6.883 -2.704 1.00 24.01 C ATOM 385 CE2 TYR A 24 6.885 -8.712 -2.239 1.00 71.22 C ATOM 386 CZ TYR A 24 5.767 -8.205 -2.865 1.00 63.55 C ATOM 387 OH TYR A 24 4.998 -9.023 -3.668 1.00 11.41 O ATOM 0 H TYR A 24 8.472 -3.947 -2.179 1.00 54.14 H new ATOM 0 HA TYR A 24 6.718 -4.155 0.076 1.00 54.33 H new ATOM 0 HB2 TYR A 24 9.244 -5.652 -0.777 1.00 35.33 H new ATOM 0 HB3 TYR A 24 8.292 -6.112 0.620 1.00 35.33 H new ATOM 0 HD1 TYR A 24 5.918 -5.026 -1.793 1.00 21.20 H new ATOM 0 HD2 TYR A 24 8.540 -8.301 -0.969 1.00 72.02 H new ATOM 0 HE1 TYR A 24 4.546 -6.489 -3.196 1.00 24.01 H new ATOM 0 HE2 TYR A 24 7.150 -9.751 -2.365 1.00 71.22 H new ATOM 0 HH TYR A 24 4.251 -9.384 -3.147 1.00 11.41 H new ATOM 397 N ARG A 25 9.848 -3.218 0.675 1.00 31.23 N ATOM 398 CA ARG A 25 10.747 -2.523 1.625 1.00 64.31 C ATOM 399 C ARG A 25 10.308 -1.070 1.956 1.00 24.31 C ATOM 400 O ARG A 25 10.815 -0.493 2.916 1.00 61.13 O ATOM 401 CB ARG A 25 12.213 -2.565 1.109 1.00 50.12 C ATOM 402 CG ARG A 25 12.856 -3.972 1.180 1.00 53.22 C ATOM 403 CD ARG A 25 14.291 -4.013 0.620 1.00 51.34 C ATOM 404 NE ARG A 25 14.321 -3.887 -0.851 1.00 24.24 N ATOM 405 CZ ARG A 25 15.357 -3.488 -1.563 1.00 32.41 C ATOM 406 NH1 ARG A 25 16.425 -3.013 -0.998 1.00 70.34 N ATOM 407 NH2 ARG A 25 15.304 -3.550 -2.850 1.00 1.40 N ATOM 0 H ARG A 25 10.296 -3.458 -0.209 1.00 31.23 H new ATOM 0 HA ARG A 25 10.681 -3.067 2.567 1.00 64.31 H new ATOM 0 HB2 ARG A 25 12.236 -2.216 0.077 1.00 50.12 H new ATOM 0 HB3 ARG A 25 12.815 -1.870 1.694 1.00 50.12 H new ATOM 0 HG2 ARG A 25 12.868 -4.307 2.217 1.00 53.22 H new ATOM 0 HG3 ARG A 25 12.236 -4.676 0.625 1.00 53.22 H new ATOM 0 HD2 ARG A 25 14.875 -3.207 1.064 1.00 51.34 H new ATOM 0 HD3 ARG A 25 14.766 -4.949 0.912 1.00 51.34 H new ATOM 0 HE ARG A 25 13.470 -4.129 -1.359 1.00 24.24 H new ATOM 0 HH11 ARG A 25 16.476 -2.942 0.018 1.00 70.34 H new ATOM 0 HH12 ARG A 25 17.213 -2.711 -1.570 1.00 70.34 H new ATOM 0 HH21 ARG A 25 14.466 -3.905 -3.309 1.00 1.40 H new ATOM 0 HH22 ARG A 25 16.101 -3.244 -3.409 1.00 1.40 H new ATOM 421 N GLN A 26 9.390 -0.483 1.163 1.00 54.22 N ATOM 422 CA GLN A 26 8.856 0.878 1.427 1.00 11.41 C ATOM 423 C GLN A 26 7.520 0.792 2.222 1.00 31.35 C ATOM 424 O GLN A 26 7.435 1.290 3.346 1.00 14.35 O ATOM 425 CB GLN A 26 8.672 1.656 0.085 1.00 33.02 C ATOM 426 CG GLN A 26 8.723 3.203 0.194 1.00 22.33 C ATOM 427 CD GLN A 26 7.511 3.861 0.860 1.00 14.33 C ATOM 428 OE1 GLN A 26 6.404 3.353 0.813 1.00 62.32 O ATOM 429 NE2 GLN A 26 7.716 5.013 1.465 1.00 22.11 N ATOM 0 H GLN A 26 8.999 -0.927 0.332 1.00 54.22 H new ATOM 0 HA GLN A 26 9.572 1.428 2.038 1.00 11.41 H new ATOM 0 HB2 GLN A 26 9.447 1.333 -0.610 1.00 33.02 H new ATOM 0 HB3 GLN A 26 7.714 1.372 -0.350 1.00 33.02 H new ATOM 0 HG2 GLN A 26 9.617 3.480 0.753 1.00 22.33 H new ATOM 0 HG3 GLN A 26 8.833 3.616 -0.809 1.00 22.33 H new ATOM 0 HE21 GLN A 26 8.653 5.416 1.490 1.00 22.11 H new ATOM 0 HE22 GLN A 26 6.938 5.502 1.909 1.00 22.11 H new ATOM 438 N ILE A 27 6.489 0.151 1.622 1.00 64.23 N ATOM 439 CA ILE A 27 5.118 0.065 2.206 1.00 14.51 C ATOM 440 C ILE A 27 5.106 -0.737 3.538 1.00 23.42 C ATOM 441 O ILE A 27 4.447 -0.341 4.510 1.00 62.22 O ATOM 442 CB ILE A 27 4.065 -0.532 1.164 1.00 73.42 C ATOM 443 CG1 ILE A 27 3.685 0.519 0.048 1.00 44.31 C ATOM 444 CG2 ILE A 27 2.770 -1.066 1.858 1.00 11.22 C ATOM 445 CD1 ILE A 27 4.803 0.953 -0.898 1.00 5.22 C ATOM 0 H ILE A 27 6.578 -0.321 0.722 1.00 64.23 H new ATOM 0 HA ILE A 27 4.810 1.085 2.435 1.00 14.51 H new ATOM 0 HB ILE A 27 4.562 -1.379 0.691 1.00 73.42 H new ATOM 0 HG12 ILE A 27 2.876 0.101 -0.551 1.00 44.31 H new ATOM 0 HG13 ILE A 27 3.291 1.409 0.539 1.00 44.31 H new ATOM 0 HG21 ILE A 27 2.089 -1.460 1.104 1.00 11.22 H new ATOM 0 HG22 ILE A 27 3.033 -1.858 2.559 1.00 11.22 H new ATOM 0 HG23 ILE A 27 2.284 -0.252 2.396 1.00 11.22 H new ATOM 0 HD11 ILE A 27 4.413 1.675 -1.615 1.00 5.22 H new ATOM 0 HD12 ILE A 27 5.608 1.411 -0.324 1.00 5.22 H new ATOM 0 HD13 ILE A 27 5.187 0.083 -1.431 1.00 5.22 H new ATOM 457 N PHE A 28 5.830 -1.860 3.577 1.00 61.31 N ATOM 458 CA PHE A 28 5.934 -2.701 4.798 1.00 64.21 C ATOM 459 C PHE A 28 7.161 -2.306 5.665 1.00 5.43 C ATOM 460 O PHE A 28 7.268 -2.735 6.818 1.00 3.41 O ATOM 461 CB PHE A 28 6.013 -4.195 4.400 1.00 61.50 C ATOM 462 CG PHE A 28 4.839 -4.681 3.542 1.00 40.01 C ATOM 463 CD1 PHE A 28 3.674 -5.173 4.127 1.00 71.32 C ATOM 464 CD2 PHE A 28 4.908 -4.647 2.146 1.00 55.34 C ATOM 465 CE1 PHE A 28 2.626 -5.614 3.346 1.00 51.15 C ATOM 466 CE2 PHE A 28 3.862 -5.091 1.371 1.00 11.43 C ATOM 467 CZ PHE A 28 2.720 -5.575 1.968 1.00 63.44 C ATOM 0 H PHE A 28 6.358 -2.218 2.781 1.00 61.31 H new ATOM 0 HA PHE A 28 5.041 -2.533 5.401 1.00 64.21 H new ATOM 0 HB2 PHE A 28 6.941 -4.365 3.855 1.00 61.50 H new ATOM 0 HB3 PHE A 28 6.060 -4.799 5.306 1.00 61.50 H new ATOM 0 HD1 PHE A 28 3.591 -5.209 5.203 1.00 71.32 H new ATOM 0 HD2 PHE A 28 5.798 -4.265 1.668 1.00 55.34 H new ATOM 0 HE1 PHE A 28 1.728 -5.991 3.813 1.00 51.15 H new ATOM 0 HE2 PHE A 28 3.937 -5.060 0.294 1.00 11.43 H new ATOM 0 HZ PHE A 28 1.898 -5.924 1.360 1.00 63.44 H new ATOM 477 N GLU A 29 8.066 -1.480 5.094 1.00 44.31 N ATOM 478 CA GLU A 29 9.318 -1.023 5.748 1.00 4.44 C ATOM 479 C GLU A 29 10.278 -2.155 6.189 1.00 42.04 C ATOM 480 O GLU A 29 11.050 -1.983 7.144 1.00 25.45 O ATOM 481 CB GLU A 29 9.021 -0.041 6.920 1.00 21.05 C ATOM 482 CG GLU A 29 8.471 1.323 6.471 1.00 72.14 C ATOM 483 CD GLU A 29 8.322 2.311 7.634 1.00 24.34 C ATOM 484 OE1 GLU A 29 7.292 2.250 8.339 1.00 72.12 O ATOM 485 OE2 GLU A 29 9.227 3.153 7.847 1.00 2.23 O ATOM 0 H GLU A 29 7.948 -1.105 4.153 1.00 44.31 H new ATOM 0 HA GLU A 29 9.860 -0.489 4.967 1.00 4.44 H new ATOM 0 HB2 GLU A 29 8.303 -0.506 7.596 1.00 21.05 H new ATOM 0 HB3 GLU A 29 9.938 0.118 7.488 1.00 21.05 H new ATOM 0 HG2 GLU A 29 9.136 1.749 5.720 1.00 72.14 H new ATOM 0 HG3 GLU A 29 7.501 1.180 5.994 1.00 72.14 H new ATOM 492 N ARG A 30 10.303 -3.264 5.430 1.00 73.22 N ATOM 493 CA ARG A 30 11.132 -4.441 5.776 1.00 64.15 C ATOM 494 C ARG A 30 11.389 -5.375 4.574 1.00 71.41 C ATOM 495 O ARG A 30 10.719 -5.296 3.537 1.00 72.40 O ATOM 496 CB ARG A 30 10.475 -5.217 6.963 1.00 72.04 C ATOM 497 CG ARG A 30 8.948 -5.458 6.832 1.00 63.13 C ATOM 498 CD ARG A 30 8.541 -6.582 5.868 1.00 73.24 C ATOM 499 NE ARG A 30 9.249 -7.850 6.137 1.00 70.10 N ATOM 500 CZ ARG A 30 8.689 -8.979 6.515 1.00 61.44 C ATOM 501 NH1 ARG A 30 7.430 -9.038 6.856 1.00 15.21 N ATOM 502 NH2 ARG A 30 9.414 -10.042 6.569 1.00 44.43 N ATOM 0 H ARG A 30 9.761 -3.374 4.573 1.00 73.22 H new ATOM 0 HA ARG A 30 12.111 -4.072 6.080 1.00 64.15 H new ATOM 0 HB2 ARG A 30 10.971 -6.182 7.064 1.00 72.04 H new ATOM 0 HB3 ARG A 30 10.662 -4.665 7.884 1.00 72.04 H new ATOM 0 HG2 ARG A 30 8.547 -5.686 7.820 1.00 63.13 H new ATOM 0 HG3 ARG A 30 8.478 -4.531 6.503 1.00 63.13 H new ATOM 0 HD2 ARG A 30 7.466 -6.748 5.943 1.00 73.24 H new ATOM 0 HD3 ARG A 30 8.744 -6.268 4.844 1.00 73.24 H new ATOM 0 HE ARG A 30 10.262 -7.850 6.019 1.00 70.10 H new ATOM 0 HH11 ARG A 30 6.855 -8.196 6.833 1.00 15.21 H new ATOM 0 HH12 ARG A 30 7.021 -9.927 7.145 1.00 15.21 H new ATOM 0 HH21 ARG A 30 10.402 -9.998 6.321 1.00 44.43 H new ATOM 0 HH22 ARG A 30 9.000 -10.928 6.860 1.00 44.43 H new ATOM 516 N ASP A 31 12.351 -6.280 4.779 1.00 41.13 N ATOM 517 CA ASP A 31 12.726 -7.327 3.808 1.00 44.31 C ATOM 518 C ASP A 31 11.718 -8.514 3.865 1.00 30.31 C ATOM 519 O ASP A 31 11.708 -9.311 4.817 1.00 11.23 O ATOM 520 CB ASP A 31 14.193 -7.796 4.058 1.00 21.22 C ATOM 521 CG ASP A 31 14.448 -8.320 5.489 1.00 13.33 C ATOM 522 OD1 ASP A 31 14.396 -7.513 6.441 1.00 52.44 O ATOM 523 OD2 ASP A 31 14.663 -9.542 5.675 1.00 45.13 O ATOM 0 H ASP A 31 12.903 -6.311 5.636 1.00 41.13 H new ATOM 0 HA ASP A 31 12.680 -6.911 2.802 1.00 44.31 H new ATOM 0 HB2 ASP A 31 14.439 -8.582 3.345 1.00 21.22 H new ATOM 0 HB3 ASP A 31 14.869 -6.964 3.861 1.00 21.22 H new ATOM 528 N ILE A 32 10.788 -8.555 2.895 1.00 62.10 N ATOM 529 CA ILE A 32 9.948 -9.747 2.662 1.00 73.12 C ATOM 530 C ILE A 32 10.747 -10.784 1.839 1.00 53.34 C ATOM 531 O ILE A 32 11.173 -10.497 0.710 1.00 34.52 O ATOM 532 CB ILE A 32 8.604 -9.386 1.923 1.00 10.51 C ATOM 533 CG1 ILE A 32 7.789 -8.346 2.752 1.00 42.22 C ATOM 534 CG2 ILE A 32 7.755 -10.656 1.648 1.00 33.01 C ATOM 535 CD1 ILE A 32 6.464 -7.917 2.137 1.00 60.24 C ATOM 0 H ILE A 32 10.598 -7.780 2.260 1.00 62.10 H new ATOM 0 HA ILE A 32 9.681 -10.167 3.632 1.00 73.12 H new ATOM 0 HB ILE A 32 8.857 -8.941 0.961 1.00 10.51 H new ATOM 0 HG12 ILE A 32 7.593 -8.766 3.739 1.00 42.22 H new ATOM 0 HG13 ILE A 32 8.406 -7.460 2.899 1.00 42.22 H new ATOM 0 HG21 ILE A 32 6.834 -10.374 1.137 1.00 33.01 H new ATOM 0 HG22 ILE A 32 8.322 -11.344 1.021 1.00 33.01 H new ATOM 0 HG23 ILE A 32 7.512 -11.143 2.593 1.00 33.01 H new ATOM 0 HD11 ILE A 32 5.977 -7.194 2.791 1.00 60.24 H new ATOM 0 HD12 ILE A 32 6.645 -7.462 1.163 1.00 60.24 H new ATOM 0 HD13 ILE A 32 5.820 -8.788 2.016 1.00 60.24 H new ATOM 547 N ALA A 33 10.958 -11.971 2.431 1.00 60.01 N ATOM 548 CA ALA A 33 11.698 -13.071 1.795 1.00 50.34 C ATOM 549 C ALA A 33 10.992 -13.556 0.499 1.00 12.12 C ATOM 550 O ALA A 33 9.783 -13.774 0.529 1.00 30.54 O ATOM 551 CB ALA A 33 11.850 -14.210 2.804 1.00 71.51 C ATOM 0 H ALA A 33 10.619 -12.194 3.367 1.00 60.01 H new ATOM 0 HA ALA A 33 12.685 -12.716 1.498 1.00 50.34 H new ATOM 0 HB1 ALA A 33 12.398 -15.033 2.344 1.00 71.51 H new ATOM 0 HB2 ALA A 33 12.397 -13.853 3.676 1.00 71.51 H new ATOM 0 HB3 ALA A 33 10.864 -14.558 3.112 1.00 71.51 H new ATOM 557 N PRO A 34 11.734 -13.726 -0.652 1.00 12.24 N ATOM 558 CA PRO A 34 11.127 -14.086 -1.976 1.00 10.20 C ATOM 559 C PRO A 34 10.221 -15.347 -1.942 1.00 64.53 C ATOM 560 O PRO A 34 9.184 -15.396 -2.611 1.00 32.12 O ATOM 561 CB PRO A 34 12.361 -14.319 -2.885 1.00 43.30 C ATOM 562 CG PRO A 34 13.438 -13.475 -2.267 1.00 53.31 C ATOM 563 CD PRO A 34 13.215 -13.567 -0.766 1.00 33.34 C ATOM 0 HA PRO A 34 10.455 -13.300 -2.322 1.00 10.20 H new ATOM 0 HB2 PRO A 34 12.645 -15.371 -2.910 1.00 43.30 H new ATOM 0 HB3 PRO A 34 12.161 -14.019 -3.913 1.00 43.30 H new ATOM 0 HG2 PRO A 34 14.428 -13.840 -2.540 1.00 53.31 H new ATOM 0 HG3 PRO A 34 13.373 -12.443 -2.611 1.00 53.31 H new ATOM 0 HD2 PRO A 34 13.746 -14.414 -0.331 1.00 33.34 H new ATOM 0 HD3 PRO A 34 13.565 -12.672 -0.251 1.00 33.34 H new ATOM 571 N TYR A 35 10.627 -16.355 -1.141 1.00 4.53 N ATOM 572 CA TYR A 35 9.866 -17.616 -0.989 1.00 41.04 C ATOM 573 C TYR A 35 8.549 -17.423 -0.181 1.00 30.13 C ATOM 574 O TYR A 35 7.595 -18.168 -0.372 1.00 61.52 O ATOM 575 CB TYR A 35 10.759 -18.735 -0.380 1.00 34.42 C ATOM 576 CG TYR A 35 11.347 -18.444 1.015 1.00 34.42 C ATOM 577 CD1 TYR A 35 12.528 -17.711 1.166 1.00 74.41 C ATOM 578 CD2 TYR A 35 10.729 -18.918 2.177 1.00 54.41 C ATOM 579 CE1 TYR A 35 13.063 -17.467 2.413 1.00 44.35 C ATOM 580 CE2 TYR A 35 11.258 -18.670 3.424 1.00 70.43 C ATOM 581 CZ TYR A 35 12.424 -17.946 3.540 1.00 42.14 C ATOM 582 OH TYR A 35 12.951 -17.695 4.791 1.00 54.32 O ATOM 0 H TYR A 35 11.482 -16.320 -0.586 1.00 4.53 H new ATOM 0 HA TYR A 35 9.567 -17.933 -1.988 1.00 41.04 H new ATOM 0 HB2 TYR A 35 10.170 -19.651 -0.321 1.00 34.42 H new ATOM 0 HB3 TYR A 35 11.583 -18.929 -1.067 1.00 34.42 H new ATOM 0 HD1 TYR A 35 13.030 -17.329 0.290 1.00 74.41 H new ATOM 0 HD2 TYR A 35 9.817 -19.491 2.094 1.00 54.41 H new ATOM 0 HE1 TYR A 35 13.979 -16.903 2.508 1.00 44.35 H new ATOM 0 HE2 TYR A 35 10.761 -19.042 4.308 1.00 70.43 H new ATOM 0 HH TYR A 35 12.378 -18.101 5.475 1.00 54.32 H new ATOM 592 N ILE A 36 8.503 -16.417 0.710 1.00 22.21 N ATOM 593 CA ILE A 36 7.255 -16.036 1.431 1.00 71.32 C ATOM 594 C ILE A 36 6.357 -15.155 0.520 1.00 10.23 C ATOM 595 O ILE A 36 5.130 -15.302 0.497 1.00 42.21 O ATOM 596 CB ILE A 36 7.587 -15.278 2.777 1.00 21.03 C ATOM 597 CG1 ILE A 36 8.499 -16.164 3.686 1.00 75.44 C ATOM 598 CG2 ILE A 36 6.295 -14.861 3.532 1.00 44.41 C ATOM 599 CD1 ILE A 36 8.953 -15.502 4.980 1.00 1.10 C ATOM 0 H ILE A 36 9.312 -15.847 0.955 1.00 22.21 H new ATOM 0 HA ILE A 36 6.714 -16.948 1.683 1.00 71.32 H new ATOM 0 HB ILE A 36 8.125 -14.365 2.524 1.00 21.03 H new ATOM 0 HG12 ILE A 36 7.961 -17.079 3.933 1.00 75.44 H new ATOM 0 HG13 ILE A 36 9.381 -16.456 3.116 1.00 75.44 H new ATOM 0 HG21 ILE A 36 6.563 -14.342 4.453 1.00 44.41 H new ATOM 0 HG22 ILE A 36 5.703 -14.198 2.901 1.00 44.41 H new ATOM 0 HG23 ILE A 36 5.711 -15.750 3.773 1.00 44.41 H new ATOM 0 HD11 ILE A 36 9.580 -16.194 5.542 1.00 1.10 H new ATOM 0 HD12 ILE A 36 9.523 -14.602 4.748 1.00 1.10 H new ATOM 0 HD13 ILE A 36 8.081 -15.235 5.578 1.00 1.10 H new ATOM 611 N ALA A 37 7.007 -14.271 -0.255 1.00 54.25 N ATOM 612 CA ALA A 37 6.340 -13.331 -1.181 1.00 11.34 C ATOM 613 C ALA A 37 5.586 -14.050 -2.325 1.00 33.42 C ATOM 614 O ALA A 37 4.549 -13.571 -2.787 1.00 40.41 O ATOM 615 CB ALA A 37 7.382 -12.367 -1.761 1.00 60.40 C ATOM 0 H ALA A 37 8.023 -14.185 -0.259 1.00 54.25 H new ATOM 0 HA ALA A 37 5.592 -12.782 -0.609 1.00 11.34 H new ATOM 0 HB1 ALA A 37 6.894 -11.672 -2.444 1.00 60.40 H new ATOM 0 HB2 ALA A 37 7.852 -11.809 -0.951 1.00 60.40 H new ATOM 0 HB3 ALA A 37 8.141 -12.933 -2.300 1.00 60.40 H new ATOM 621 N GLN A 38 6.121 -15.206 -2.769 1.00 64.24 N ATOM 622 CA GLN A 38 5.493 -16.021 -3.839 1.00 61.45 C ATOM 623 C GLN A 38 4.267 -16.813 -3.313 1.00 21.11 C ATOM 624 O GLN A 38 3.490 -17.339 -4.099 1.00 13.45 O ATOM 625 CB GLN A 38 6.522 -16.995 -4.474 1.00 31.50 C ATOM 626 CG GLN A 38 6.995 -18.147 -3.555 1.00 20.05 C ATOM 627 CD GLN A 38 7.929 -19.160 -4.232 1.00 14.43 C ATOM 628 OE1 GLN A 38 8.806 -19.731 -3.594 1.00 62.31 O ATOM 629 NE2 GLN A 38 7.726 -19.431 -5.511 1.00 0.51 N ATOM 0 H GLN A 38 6.988 -15.600 -2.404 1.00 64.24 H new ATOM 0 HA GLN A 38 5.145 -15.328 -4.605 1.00 61.45 H new ATOM 0 HB2 GLN A 38 6.082 -17.427 -5.373 1.00 31.50 H new ATOM 0 HB3 GLN A 38 7.394 -16.422 -4.789 1.00 31.50 H new ATOM 0 HG2 GLN A 38 7.507 -17.720 -2.693 1.00 20.05 H new ATOM 0 HG3 GLN A 38 6.120 -18.675 -3.177 1.00 20.05 H new ATOM 0 HE21 GLN A 38 6.991 -18.945 -6.025 1.00 0.51 H new ATOM 0 HE22 GLN A 38 8.304 -20.126 -5.983 1.00 0.51 H new ATOM 638 N ASN A 39 4.148 -16.949 -1.981 1.00 4.44 N ATOM 639 CA ASN A 39 2.967 -17.572 -1.334 1.00 75.42 C ATOM 640 C ASN A 39 1.795 -16.565 -1.232 1.00 54.14 C ATOM 641 O ASN A 39 0.650 -16.879 -1.581 1.00 51.11 O ATOM 642 CB ASN A 39 3.345 -18.095 0.076 1.00 2.24 C ATOM 643 CG ASN A 39 4.493 -19.109 0.059 1.00 10.41 C ATOM 644 OD1 ASN A 39 4.649 -19.882 -0.881 1.00 55.15 O ATOM 645 ND2 ASN A 39 5.309 -19.116 1.093 1.00 45.43 N ATOM 0 H ASN A 39 4.859 -16.634 -1.321 1.00 4.44 H new ATOM 0 HA ASN A 39 2.643 -18.410 -1.951 1.00 75.42 H new ATOM 0 HB2 ASN A 39 3.625 -17.251 0.706 1.00 2.24 H new ATOM 0 HB3 ASN A 39 2.469 -18.556 0.532 1.00 2.24 H new ATOM 0 HD21 ASN A 39 6.089 -19.773 1.123 1.00 45.43 H new ATOM 0 HD22 ASN A 39 5.161 -18.465 1.864 1.00 45.43 H new ATOM 652 N GLU A 40 2.116 -15.346 -0.757 1.00 51.22 N ATOM 653 CA GLU A 40 1.120 -14.278 -0.495 1.00 73.03 C ATOM 654 C GLU A 40 0.671 -13.576 -1.808 1.00 75.13 C ATOM 655 O GLU A 40 -0.521 -13.332 -2.022 1.00 10.15 O ATOM 656 CB GLU A 40 1.715 -13.243 0.508 1.00 45.00 C ATOM 657 CG GLU A 40 2.247 -13.856 1.830 1.00 64.04 C ATOM 658 CD GLU A 40 2.794 -12.805 2.824 1.00 14.05 C ATOM 659 OE1 GLU A 40 3.955 -12.363 2.668 1.00 12.43 O ATOM 660 OE2 GLU A 40 2.051 -12.402 3.757 1.00 33.12 O ATOM 0 H GLU A 40 3.074 -15.069 -0.542 1.00 51.22 H new ATOM 0 HA GLU A 40 0.234 -14.737 -0.057 1.00 73.03 H new ATOM 0 HB2 GLU A 40 2.529 -12.708 0.018 1.00 45.00 H new ATOM 0 HB3 GLU A 40 0.948 -12.507 0.747 1.00 45.00 H new ATOM 0 HG2 GLU A 40 1.444 -14.415 2.311 1.00 64.04 H new ATOM 0 HG3 GLU A 40 3.037 -14.570 1.598 1.00 64.04 H new ATOM 667 N PHE A 41 1.649 -13.238 -2.664 1.00 65.32 N ATOM 668 CA PHE A 41 1.413 -12.530 -3.952 1.00 41.22 C ATOM 669 C PHE A 41 1.826 -13.404 -5.172 1.00 4.35 C ATOM 670 O PHE A 41 2.566 -12.945 -6.056 1.00 64.13 O ATOM 671 CB PHE A 41 2.201 -11.184 -3.949 1.00 21.01 C ATOM 672 CG PHE A 41 1.872 -10.251 -2.775 1.00 41.41 C ATOM 673 CD1 PHE A 41 0.682 -9.521 -2.751 1.00 24.03 C ATOM 674 CD2 PHE A 41 2.755 -10.105 -1.697 1.00 52.14 C ATOM 675 CE1 PHE A 41 0.386 -8.679 -1.698 1.00 21.21 C ATOM 676 CE2 PHE A 41 2.459 -9.261 -0.647 1.00 74.34 C ATOM 677 CZ PHE A 41 1.274 -8.548 -0.647 1.00 4.31 C ATOM 0 H PHE A 41 2.633 -13.445 -2.490 1.00 65.32 H new ATOM 0 HA PHE A 41 0.346 -12.330 -4.048 1.00 41.22 H new ATOM 0 HB2 PHE A 41 3.269 -11.404 -3.933 1.00 21.01 H new ATOM 0 HB3 PHE A 41 1.998 -10.658 -4.882 1.00 21.01 H new ATOM 0 HD1 PHE A 41 -0.017 -9.617 -3.568 1.00 24.03 H new ATOM 0 HD2 PHE A 41 3.681 -10.661 -1.688 1.00 52.14 H new ATOM 0 HE1 PHE A 41 -0.540 -8.123 -1.695 1.00 21.21 H new ATOM 0 HE2 PHE A 41 3.152 -9.157 0.175 1.00 74.34 H new ATOM 0 HZ PHE A 41 1.042 -7.888 0.176 1.00 4.31 H new ATOM 687 N SER A 42 1.306 -14.650 -5.241 1.00 34.22 N ATOM 688 CA SER A 42 1.678 -15.614 -6.319 1.00 64.35 C ATOM 689 C SER A 42 1.162 -15.164 -7.711 1.00 25.04 C ATOM 690 O SER A 42 1.941 -14.999 -8.660 1.00 50.41 O ATOM 691 CB SER A 42 1.094 -17.014 -5.989 1.00 52.03 C ATOM 692 OG SER A 42 1.477 -17.985 -6.950 1.00 62.54 O ATOM 0 H SER A 42 0.631 -15.017 -4.570 1.00 34.22 H new ATOM 0 HA SER A 42 2.767 -15.652 -6.361 1.00 64.35 H new ATOM 0 HB2 SER A 42 1.434 -17.326 -5.002 1.00 52.03 H new ATOM 0 HB3 SER A 42 0.006 -16.953 -5.947 1.00 52.03 H new ATOM 0 HG SER A 42 1.093 -18.854 -6.709 1.00 62.54 H new ATOM 698 N GLY A 43 -0.155 -14.934 -7.796 1.00 21.43 N ATOM 699 CA GLY A 43 -0.791 -14.408 -9.007 1.00 53.21 C ATOM 700 C GLY A 43 -0.492 -12.933 -9.244 1.00 62.25 C ATOM 701 O GLY A 43 -0.427 -12.484 -10.392 1.00 4.13 O ATOM 0 H GLY A 43 -0.806 -15.107 -7.030 1.00 21.43 H new ATOM 0 HA2 GLY A 43 -0.453 -14.984 -9.868 1.00 53.21 H new ATOM 0 HA3 GLY A 43 -1.870 -14.547 -8.934 1.00 53.21 H new ATOM 705 N TRP A 44 -0.290 -12.184 -8.148 1.00 32.15 N ATOM 706 CA TRP A 44 -0.113 -10.721 -8.178 1.00 22.14 C ATOM 707 C TRP A 44 1.214 -10.309 -8.869 1.00 32.10 C ATOM 708 O TRP A 44 1.259 -9.306 -9.600 1.00 31.34 O ATOM 709 CB TRP A 44 -0.176 -10.193 -6.717 1.00 61.11 C ATOM 710 CG TRP A 44 -0.546 -8.736 -6.571 1.00 43.32 C ATOM 711 CD1 TRP A 44 0.118 -7.777 -5.852 1.00 64.23 C ATOM 712 CD2 TRP A 44 -1.689 -8.085 -7.142 1.00 2.12 C ATOM 713 NE1 TRP A 44 -0.539 -6.579 -5.951 1.00 63.12 N ATOM 714 CE2 TRP A 44 -1.646 -6.744 -6.739 1.00 61.23 C ATOM 715 CE3 TRP A 44 -2.746 -8.506 -7.967 1.00 23.02 C ATOM 716 CZ2 TRP A 44 -2.613 -5.832 -7.121 1.00 22.25 C ATOM 717 CZ3 TRP A 44 -3.703 -7.590 -8.349 1.00 44.23 C ATOM 718 CH2 TRP A 44 -3.629 -6.264 -7.926 1.00 14.11 C ATOM 0 H TRP A 44 -0.244 -12.579 -7.209 1.00 32.15 H new ATOM 0 HA TRP A 44 -0.912 -10.275 -8.770 1.00 22.14 H new ATOM 0 HB2 TRP A 44 -0.899 -10.791 -6.163 1.00 61.11 H new ATOM 0 HB3 TRP A 44 0.795 -10.353 -6.249 1.00 61.11 H new ATOM 0 HD1 TRP A 44 1.026 -7.941 -5.290 1.00 64.23 H new ATOM 0 HE1 TRP A 44 -0.250 -5.706 -5.509 1.00 63.12 H new ATOM 0 HE3 TRP A 44 -2.808 -9.532 -8.297 1.00 23.02 H new ATOM 0 HZ2 TRP A 44 -2.566 -4.805 -6.791 1.00 22.25 H new ATOM 0 HZ3 TRP A 44 -4.519 -7.903 -8.983 1.00 44.23 H new ATOM 0 HH2 TRP A 44 -4.389 -5.565 -8.241 1.00 14.11 H new ATOM 729 N GLU A 45 2.280 -11.104 -8.618 1.00 3.01 N ATOM 730 CA GLU A 45 3.600 -10.969 -9.287 1.00 34.45 C ATOM 731 C GLU A 45 3.435 -11.091 -10.829 1.00 70.32 C ATOM 732 O GLU A 45 3.937 -10.248 -11.595 1.00 64.43 O ATOM 733 CB GLU A 45 4.552 -12.085 -8.731 1.00 13.11 C ATOM 734 CG GLU A 45 6.068 -11.975 -9.075 1.00 33.35 C ATOM 735 CD GLU A 45 6.429 -12.230 -10.559 1.00 73.32 C ATOM 736 OE1 GLU A 45 6.086 -13.314 -11.081 1.00 23.14 O ATOM 737 OE2 GLU A 45 7.048 -11.352 -11.210 1.00 31.31 O ATOM 0 H GLU A 45 2.250 -11.865 -7.939 1.00 3.01 H new ATOM 0 HA GLU A 45 4.031 -9.990 -9.079 1.00 34.45 H new ATOM 0 HB2 GLU A 45 4.454 -12.101 -7.646 1.00 13.11 H new ATOM 0 HB3 GLU A 45 4.193 -13.047 -9.098 1.00 13.11 H new ATOM 0 HG2 GLU A 45 6.415 -10.979 -8.800 1.00 33.35 H new ATOM 0 HG3 GLU A 45 6.617 -12.686 -8.457 1.00 33.35 H new ATOM 744 N SER A 46 2.718 -12.165 -11.251 1.00 74.45 N ATOM 745 CA SER A 46 2.434 -12.472 -12.677 1.00 34.15 C ATOM 746 C SER A 46 1.794 -11.279 -13.403 1.00 24.31 C ATOM 747 O SER A 46 2.269 -10.861 -14.459 1.00 34.40 O ATOM 748 CB SER A 46 1.498 -13.707 -12.798 1.00 4.52 C ATOM 749 OG SER A 46 1.190 -14.015 -14.159 1.00 21.43 O ATOM 0 H SER A 46 2.318 -12.847 -10.606 1.00 74.45 H new ATOM 0 HA SER A 46 3.391 -12.690 -13.150 1.00 34.15 H new ATOM 0 HB2 SER A 46 1.973 -14.569 -12.330 1.00 4.52 H new ATOM 0 HB3 SER A 46 0.574 -13.517 -12.252 1.00 4.52 H new ATOM 0 HG SER A 46 0.601 -14.798 -14.192 1.00 21.43 H new ATOM 755 N LYS A 47 0.738 -10.710 -12.789 1.00 22.44 N ATOM 756 CA LYS A 47 -0.056 -9.621 -13.392 1.00 62.34 C ATOM 757 C LYS A 47 0.775 -8.335 -13.629 1.00 23.42 C ATOM 758 O LYS A 47 0.545 -7.619 -14.611 1.00 23.41 O ATOM 759 CB LYS A 47 -1.299 -9.329 -12.516 1.00 10.32 C ATOM 760 CG LYS A 47 -2.210 -10.562 -12.299 1.00 70.21 C ATOM 761 CD LYS A 47 -3.515 -10.227 -11.554 1.00 41.03 C ATOM 762 CE LYS A 47 -4.471 -9.368 -12.399 1.00 22.04 C ATOM 763 NZ LYS A 47 -4.935 -10.074 -13.628 1.00 75.33 N ATOM 0 H LYS A 47 0.412 -10.991 -11.864 1.00 22.44 H new ATOM 0 HA LYS A 47 -0.381 -9.958 -14.376 1.00 62.34 H new ATOM 0 HB2 LYS A 47 -0.970 -8.956 -11.546 1.00 10.32 H new ATOM 0 HB3 LYS A 47 -1.882 -8.535 -12.982 1.00 10.32 H new ATOM 0 HG2 LYS A 47 -2.454 -11.001 -13.267 1.00 70.21 H new ATOM 0 HG3 LYS A 47 -1.661 -11.317 -11.736 1.00 70.21 H new ATOM 0 HD2 LYS A 47 -4.017 -11.153 -11.272 1.00 41.03 H new ATOM 0 HD3 LYS A 47 -3.277 -9.699 -10.631 1.00 41.03 H new ATOM 0 HE2 LYS A 47 -5.335 -9.090 -11.795 1.00 22.04 H new ATOM 0 HE3 LYS A 47 -3.969 -8.443 -12.682 1.00 22.04 H new ATOM 0 HZ1 LYS A 47 -5.865 -9.704 -13.911 1.00 75.33 H new ATOM 0 HZ2 LYS A 47 -4.252 -9.918 -14.397 1.00 75.33 H new ATOM 0 HZ3 LYS A 47 -5.012 -11.093 -13.435 1.00 75.33 H new ATOM 777 N LEU A 48 1.745 -8.053 -12.739 1.00 35.20 N ATOM 778 CA LEU A 48 2.665 -6.901 -12.904 1.00 72.44 C ATOM 779 C LEU A 48 3.676 -7.159 -14.053 1.00 33.40 C ATOM 780 O LEU A 48 3.940 -6.271 -14.875 1.00 43.45 O ATOM 781 CB LEU A 48 3.415 -6.601 -11.579 1.00 54.30 C ATOM 782 CG LEU A 48 4.290 -5.299 -11.576 1.00 2.45 C ATOM 783 CD1 LEU A 48 3.424 -4.032 -11.753 1.00 21.33 C ATOM 784 CD2 LEU A 48 5.170 -5.210 -10.312 1.00 62.14 C ATOM 0 H LEU A 48 1.916 -8.604 -11.898 1.00 35.20 H new ATOM 0 HA LEU A 48 2.066 -6.029 -13.166 1.00 72.44 H new ATOM 0 HB2 LEU A 48 2.682 -6.526 -10.776 1.00 54.30 H new ATOM 0 HB3 LEU A 48 4.058 -7.450 -11.346 1.00 54.30 H new ATOM 0 HG LEU A 48 4.959 -5.357 -12.434 1.00 2.45 H new ATOM 0 HD11 LEU A 48 4.064 -3.150 -11.746 1.00 21.33 H new ATOM 0 HD12 LEU A 48 2.890 -4.086 -12.702 1.00 21.33 H new ATOM 0 HD13 LEU A 48 2.705 -3.965 -10.936 1.00 21.33 H new ATOM 0 HD21 LEU A 48 5.762 -4.295 -10.345 1.00 62.14 H new ATOM 0 HD22 LEU A 48 4.535 -5.200 -9.426 1.00 62.14 H new ATOM 0 HD23 LEU A 48 5.836 -6.072 -10.271 1.00 62.14 H new ATOM 796 N GLY A 49 4.225 -8.390 -14.098 1.00 42.44 N ATOM 797 CA GLY A 49 5.170 -8.804 -15.152 1.00 11.24 C ATOM 798 C GLY A 49 4.537 -8.992 -16.542 1.00 20.52 C ATOM 799 O GLY A 49 5.246 -8.979 -17.554 1.00 72.50 O ATOM 0 H GLY A 49 4.028 -9.118 -13.411 1.00 42.44 H new ATOM 0 HA2 GLY A 49 5.961 -8.058 -15.226 1.00 11.24 H new ATOM 0 HA3 GLY A 49 5.641 -9.740 -14.852 1.00 11.24 H new ATOM 803 N ASN A 50 3.201 -9.170 -16.587 1.00 45.54 N ATOM 804 CA ASN A 50 2.446 -9.340 -17.857 1.00 15.53 C ATOM 805 C ASN A 50 1.861 -8.004 -18.369 1.00 2.31 C ATOM 806 O ASN A 50 1.395 -7.932 -19.513 1.00 63.22 O ATOM 807 CB ASN A 50 1.299 -10.375 -17.687 1.00 74.54 C ATOM 808 CG ASN A 50 1.787 -11.799 -17.412 1.00 50.33 C ATOM 809 OD1 ASN A 50 2.869 -12.195 -17.830 1.00 24.14 O ATOM 810 ND2 ASN A 50 0.982 -12.586 -16.728 1.00 1.12 N ATOM 0 H ASN A 50 2.614 -9.201 -15.754 1.00 45.54 H new ATOM 0 HA ASN A 50 3.158 -9.706 -18.597 1.00 15.53 H new ATOM 0 HB2 ASN A 50 0.654 -10.057 -16.868 1.00 74.54 H new ATOM 0 HB3 ASN A 50 0.689 -10.378 -18.590 1.00 74.54 H new ATOM 0 HD21 ASN A 50 1.254 -13.550 -16.535 1.00 1.12 H new ATOM 0 HD22 ASN A 50 0.087 -12.231 -16.391 1.00 1.12 H new ATOM 817 N GLY A 51 1.873 -6.951 -17.525 1.00 70.23 N ATOM 818 CA GLY A 51 1.271 -5.657 -17.888 1.00 32.12 C ATOM 819 C GLY A 51 -0.245 -5.607 -17.683 1.00 23.31 C ATOM 820 O GLY A 51 -0.918 -4.730 -18.227 1.00 60.15 O ATOM 0 H GLY A 51 2.291 -6.974 -16.595 1.00 70.23 H new ATOM 0 HA2 GLY A 51 1.736 -4.870 -17.294 1.00 32.12 H new ATOM 0 HA3 GLY A 51 1.495 -5.442 -18.933 1.00 32.12 H new ATOM 824 N GLU A 52 -0.775 -6.562 -16.895 1.00 44.43 N ATOM 825 CA GLU A 52 -2.209 -6.628 -16.539 1.00 22.41 C ATOM 826 C GLU A 52 -2.590 -5.524 -15.531 1.00 21.34 C ATOM 827 O GLU A 52 -3.717 -5.023 -15.551 1.00 14.42 O ATOM 828 CB GLU A 52 -2.548 -8.020 -15.943 1.00 34.21 C ATOM 829 CG GLU A 52 -2.281 -9.202 -16.893 1.00 24.43 C ATOM 830 CD GLU A 52 -2.638 -10.565 -16.273 1.00 13.52 C ATOM 831 OE1 GLU A 52 -3.845 -10.872 -16.171 1.00 41.45 O ATOM 832 OE2 GLU A 52 -1.726 -11.323 -15.871 1.00 41.04 O ATOM 0 H GLU A 52 -0.220 -7.313 -16.485 1.00 44.43 H new ATOM 0 HA GLU A 52 -2.786 -6.471 -17.451 1.00 22.41 H new ATOM 0 HB2 GLU A 52 -1.966 -8.163 -15.032 1.00 34.21 H new ATOM 0 HB3 GLU A 52 -3.599 -8.032 -15.655 1.00 34.21 H new ATOM 0 HG2 GLU A 52 -2.857 -9.063 -17.808 1.00 24.43 H new ATOM 0 HG3 GLU A 52 -1.228 -9.203 -17.176 1.00 24.43 H new ATOM 839 N ILE A 53 -1.648 -5.141 -14.638 1.00 2.31 N ATOM 840 CA ILE A 53 -1.867 -4.082 -13.623 1.00 1.21 C ATOM 841 C ILE A 53 -0.705 -3.058 -13.684 1.00 63.43 C ATOM 842 O ILE A 53 0.398 -3.381 -14.158 1.00 22.42 O ATOM 843 CB ILE A 53 -1.958 -4.676 -12.158 1.00 43.34 C ATOM 844 CG1 ILE A 53 -0.626 -5.404 -11.759 1.00 62.14 C ATOM 845 CG2 ILE A 53 -3.181 -5.620 -12.009 1.00 23.54 C ATOM 846 CD1 ILE A 53 -0.569 -5.939 -10.336 1.00 1.51 C ATOM 0 H ILE A 53 -0.717 -5.556 -14.600 1.00 2.31 H new ATOM 0 HA ILE A 53 -2.816 -3.598 -13.851 1.00 1.21 H new ATOM 0 HB ILE A 53 -2.099 -3.842 -11.470 1.00 43.34 H new ATOM 0 HG12 ILE A 53 -0.467 -6.235 -12.447 1.00 62.14 H new ATOM 0 HG13 ILE A 53 0.203 -4.710 -11.900 1.00 62.14 H new ATOM 0 HG21 ILE A 53 -3.216 -6.012 -10.993 1.00 23.54 H new ATOM 0 HG22 ILE A 53 -4.096 -5.065 -12.216 1.00 23.54 H new ATOM 0 HG23 ILE A 53 -3.091 -6.447 -12.714 1.00 23.54 H new ATOM 0 HD11 ILE A 53 0.393 -6.422 -10.167 1.00 1.51 H new ATOM 0 HD12 ILE A 53 -0.690 -5.115 -9.632 1.00 1.51 H new ATOM 0 HD13 ILE A 53 -1.370 -6.663 -10.187 1.00 1.51 H new ATOM 858 N THR A 54 -0.955 -1.826 -13.215 1.00 74.12 N ATOM 859 CA THR A 54 0.107 -0.797 -13.075 1.00 40.33 C ATOM 860 C THR A 54 0.840 -0.952 -11.723 1.00 31.31 C ATOM 861 O THR A 54 0.496 -1.825 -10.909 1.00 4.43 O ATOM 862 CB THR A 54 -0.482 0.651 -13.161 1.00 2.23 C ATOM 863 OG1 THR A 54 -1.224 0.953 -11.968 1.00 60.21 O ATOM 864 CG2 THR A 54 -1.388 0.841 -14.389 1.00 75.31 C ATOM 0 H THR A 54 -1.880 -1.510 -12.924 1.00 74.12 H new ATOM 0 HA THR A 54 0.806 -0.946 -13.897 1.00 40.33 H new ATOM 0 HB THR A 54 0.361 1.335 -13.261 1.00 2.23 H new ATOM 0 HG1 THR A 54 -2.176 0.778 -12.122 1.00 60.21 H new ATOM 0 HG21 THR A 54 -1.772 1.861 -14.404 1.00 75.31 H new ATOM 0 HG22 THR A 54 -0.814 0.656 -15.297 1.00 75.31 H new ATOM 0 HG23 THR A 54 -2.222 0.141 -14.338 1.00 75.31 H new ATOM 872 N VAL A 55 1.849 -0.089 -11.483 1.00 2.44 N ATOM 873 CA VAL A 55 2.504 0.018 -10.160 1.00 51.34 C ATOM 874 C VAL A 55 1.502 0.522 -9.099 1.00 10.22 C ATOM 875 O VAL A 55 1.496 0.030 -7.974 1.00 2.02 O ATOM 876 CB VAL A 55 3.763 0.959 -10.205 1.00 10.53 C ATOM 877 CG1 VAL A 55 4.368 1.196 -8.795 1.00 71.24 C ATOM 878 CG2 VAL A 55 4.821 0.382 -11.171 1.00 42.20 C ATOM 0 H VAL A 55 2.229 0.544 -12.187 1.00 2.44 H new ATOM 0 HA VAL A 55 2.845 -0.980 -9.885 1.00 51.34 H new ATOM 0 HB VAL A 55 3.438 1.931 -10.575 1.00 10.53 H new ATOM 0 HG11 VAL A 55 5.235 1.852 -8.877 1.00 71.24 H new ATOM 0 HG12 VAL A 55 3.621 1.661 -8.152 1.00 71.24 H new ATOM 0 HG13 VAL A 55 4.674 0.242 -8.365 1.00 71.24 H new ATOM 0 HG21 VAL A 55 5.689 1.041 -11.195 1.00 42.20 H new ATOM 0 HG22 VAL A 55 5.125 -0.607 -10.829 1.00 42.20 H new ATOM 0 HG23 VAL A 55 4.396 0.305 -12.172 1.00 42.20 H new ATOM 888 N LYS A 56 0.624 1.467 -9.492 1.00 4.32 N ATOM 889 CA LYS A 56 -0.408 2.031 -8.591 1.00 21.23 C ATOM 890 C LYS A 56 -1.374 0.934 -8.065 1.00 1.34 C ATOM 891 O LYS A 56 -1.687 0.903 -6.864 1.00 64.34 O ATOM 892 CB LYS A 56 -1.187 3.185 -9.304 1.00 31.04 C ATOM 893 CG LYS A 56 -2.669 3.320 -8.889 1.00 64.13 C ATOM 894 CD LYS A 56 -3.321 4.644 -9.313 1.00 10.31 C ATOM 895 CE LYS A 56 -4.853 4.589 -9.208 1.00 14.20 C ATOM 896 NZ LYS A 56 -5.437 3.686 -10.244 1.00 24.43 N ATOM 0 H LYS A 56 0.608 1.859 -10.433 1.00 4.32 H new ATOM 0 HA LYS A 56 0.099 2.449 -7.722 1.00 21.23 H new ATOM 0 HB2 LYS A 56 -0.680 4.128 -9.099 1.00 31.04 H new ATOM 0 HB3 LYS A 56 -1.139 3.025 -10.381 1.00 31.04 H new ATOM 0 HG2 LYS A 56 -3.233 2.494 -9.323 1.00 64.13 H new ATOM 0 HG3 LYS A 56 -2.742 3.222 -7.806 1.00 64.13 H new ATOM 0 HD2 LYS A 56 -2.943 5.452 -8.686 1.00 10.31 H new ATOM 0 HD3 LYS A 56 -3.036 4.877 -10.339 1.00 10.31 H new ATOM 0 HE2 LYS A 56 -5.139 4.240 -8.216 1.00 14.20 H new ATOM 0 HE3 LYS A 56 -5.264 5.592 -9.324 1.00 14.20 H new ATOM 0 HZ1 LYS A 56 -6.417 3.972 -10.441 1.00 24.43 H new ATOM 0 HZ2 LYS A 56 -4.876 3.751 -11.117 1.00 24.43 H new ATOM 0 HZ3 LYS A 56 -5.425 2.706 -9.897 1.00 24.43 H new ATOM 910 N GLU A 57 -1.834 0.027 -8.954 1.00 3.52 N ATOM 911 CA GLU A 57 -2.707 -1.112 -8.579 1.00 24.12 C ATOM 912 C GLU A 57 -1.951 -2.141 -7.709 1.00 54.31 C ATOM 913 O GLU A 57 -2.563 -2.812 -6.883 1.00 72.11 O ATOM 914 CB GLU A 57 -3.259 -1.788 -9.883 1.00 53.31 C ATOM 915 CG GLU A 57 -4.643 -1.289 -10.378 1.00 44.01 C ATOM 916 CD GLU A 57 -4.774 0.240 -10.516 1.00 24.13 C ATOM 917 OE1 GLU A 57 -3.904 0.879 -11.138 1.00 50.34 O ATOM 918 OE2 GLU A 57 -5.773 0.809 -10.022 1.00 74.12 O ATOM 0 H GLU A 57 -1.613 0.061 -9.949 1.00 3.52 H new ATOM 0 HA GLU A 57 -3.538 -0.735 -7.983 1.00 24.12 H new ATOM 0 HB2 GLU A 57 -2.533 -1.635 -10.682 1.00 53.31 H new ATOM 0 HB3 GLU A 57 -3.323 -2.863 -9.712 1.00 53.31 H new ATOM 0 HG2 GLU A 57 -4.852 -1.745 -11.346 1.00 44.01 H new ATOM 0 HG3 GLU A 57 -5.408 -1.643 -9.687 1.00 44.01 H new ATOM 925 N PHE A 58 -0.607 -2.167 -7.846 1.00 40.54 N ATOM 926 CA PHE A 58 0.250 -3.168 -7.170 1.00 11.54 C ATOM 927 C PHE A 58 0.404 -2.753 -5.687 1.00 23.22 C ATOM 928 O PHE A 58 0.219 -3.564 -4.773 1.00 23.53 O ATOM 929 CB PHE A 58 1.635 -3.278 -7.872 1.00 75.14 C ATOM 930 CG PHE A 58 2.546 -4.377 -7.306 1.00 43.13 C ATOM 931 CD1 PHE A 58 2.394 -5.706 -7.710 1.00 10.42 C ATOM 932 CD2 PHE A 58 3.540 -4.085 -6.363 1.00 3.15 C ATOM 933 CE1 PHE A 58 3.199 -6.701 -7.190 1.00 45.23 C ATOM 934 CE2 PHE A 58 4.337 -5.082 -5.845 1.00 32.54 C ATOM 935 CZ PHE A 58 4.168 -6.389 -6.256 1.00 23.30 C ATOM 0 H PHE A 58 -0.089 -1.503 -8.422 1.00 40.54 H new ATOM 0 HA PHE A 58 -0.213 -4.153 -7.227 1.00 11.54 H new ATOM 0 HB2 PHE A 58 1.477 -3.465 -8.934 1.00 75.14 H new ATOM 0 HB3 PHE A 58 2.148 -2.320 -7.790 1.00 75.14 H new ATOM 0 HD1 PHE A 58 1.637 -5.959 -8.438 1.00 10.42 H new ATOM 0 HD2 PHE A 58 3.683 -3.065 -6.038 1.00 3.15 H new ATOM 0 HE1 PHE A 58 3.071 -7.723 -7.514 1.00 45.23 H new ATOM 0 HE2 PHE A 58 5.096 -4.841 -5.116 1.00 32.54 H new ATOM 0 HZ PHE A 58 4.794 -7.168 -5.847 1.00 23.30 H new ATOM 945 N ILE A 59 0.730 -1.450 -5.500 1.00 22.32 N ATOM 946 CA ILE A 59 0.848 -0.781 -4.179 1.00 64.20 C ATOM 947 C ILE A 59 -0.499 -0.823 -3.404 1.00 40.14 C ATOM 948 O ILE A 59 -0.516 -0.920 -2.167 1.00 71.14 O ATOM 949 CB ILE A 59 1.318 0.726 -4.356 1.00 13.14 C ATOM 950 CG1 ILE A 59 2.652 0.812 -5.162 1.00 15.34 C ATOM 951 CG2 ILE A 59 1.471 1.462 -3.002 1.00 71.24 C ATOM 952 CD1 ILE A 59 3.842 0.111 -4.536 1.00 61.35 C ATOM 0 H ILE A 59 0.922 -0.821 -6.280 1.00 22.32 H new ATOM 0 HA ILE A 59 1.596 -1.323 -3.601 1.00 64.20 H new ATOM 0 HB ILE A 59 0.530 1.227 -4.918 1.00 13.14 H new ATOM 0 HG12 ILE A 59 2.485 0.390 -6.153 1.00 15.34 H new ATOM 0 HG13 ILE A 59 2.904 1.863 -5.301 1.00 15.34 H new ATOM 0 HG21 ILE A 59 1.794 2.488 -3.180 1.00 71.24 H new ATOM 0 HG22 ILE A 59 0.514 1.468 -2.481 1.00 71.24 H new ATOM 0 HG23 ILE A 59 2.213 0.949 -2.391 1.00 71.24 H new ATOM 0 HD11 ILE A 59 4.715 0.233 -5.177 1.00 61.35 H new ATOM 0 HD12 ILE A 59 4.047 0.546 -3.558 1.00 61.35 H new ATOM 0 HD13 ILE A 59 3.621 -0.950 -4.423 1.00 61.35 H new ATOM 964 N GLU A 60 -1.622 -0.761 -4.154 1.00 11.13 N ATOM 965 CA GLU A 60 -2.987 -0.845 -3.583 1.00 4.23 C ATOM 966 C GLU A 60 -3.204 -2.190 -2.844 1.00 51.43 C ATOM 967 O GLU A 60 -3.621 -2.195 -1.677 1.00 14.35 O ATOM 968 CB GLU A 60 -4.046 -0.620 -4.702 1.00 31.30 C ATOM 969 CG GLU A 60 -5.546 -0.658 -4.262 1.00 71.35 C ATOM 970 CD GLU A 60 -6.276 -1.980 -4.601 1.00 31.42 C ATOM 971 OE1 GLU A 60 -6.672 -2.162 -5.772 1.00 35.40 O ATOM 972 OE2 GLU A 60 -6.451 -2.843 -3.710 1.00 22.22 O ATOM 0 H GLU A 60 -1.609 -0.652 -5.168 1.00 11.13 H new ATOM 0 HA GLU A 60 -3.106 -0.056 -2.841 1.00 4.23 H new ATOM 0 HB2 GLU A 60 -3.851 0.347 -5.166 1.00 31.30 H new ATOM 0 HB3 GLU A 60 -3.897 -1.379 -5.470 1.00 31.30 H new ATOM 0 HG2 GLU A 60 -5.601 -0.492 -3.186 1.00 71.35 H new ATOM 0 HG3 GLU A 60 -6.074 0.168 -4.740 1.00 71.35 H new ATOM 979 N GLY A 61 -2.903 -3.330 -3.516 1.00 72.31 N ATOM 980 CA GLY A 61 -2.941 -4.657 -2.871 1.00 12.34 C ATOM 981 C GLY A 61 -2.004 -4.816 -1.663 1.00 72.21 C ATOM 982 O GLY A 61 -2.299 -5.587 -0.744 1.00 13.23 O ATOM 0 H GLY A 61 -2.633 -3.352 -4.499 1.00 72.31 H new ATOM 0 HA2 GLY A 61 -3.963 -4.859 -2.549 1.00 12.34 H new ATOM 0 HA3 GLY A 61 -2.685 -5.413 -3.613 1.00 12.34 H new ATOM 986 N LEU A 62 -0.874 -4.079 -1.664 1.00 52.03 N ATOM 987 CA LEU A 62 0.075 -4.073 -0.522 1.00 22.50 C ATOM 988 C LEU A 62 -0.563 -3.411 0.727 1.00 4.24 C ATOM 989 O LEU A 62 -0.208 -3.736 1.854 1.00 44.51 O ATOM 990 CB LEU A 62 1.400 -3.346 -0.895 1.00 22.45 C ATOM 991 CG LEU A 62 2.158 -3.860 -2.161 1.00 55.34 C ATOM 992 CD1 LEU A 62 3.535 -3.177 -2.296 1.00 12.53 C ATOM 993 CD2 LEU A 62 2.269 -5.397 -2.176 1.00 10.03 C ATOM 0 H LEU A 62 -0.593 -3.480 -2.440 1.00 52.03 H new ATOM 0 HA LEU A 62 0.308 -5.111 -0.285 1.00 22.50 H new ATOM 0 HB2 LEU A 62 1.177 -2.289 -1.039 1.00 22.45 H new ATOM 0 HB3 LEU A 62 2.076 -3.416 -0.043 1.00 22.45 H new ATOM 0 HG LEU A 62 1.570 -3.583 -3.036 1.00 55.34 H new ATOM 0 HD11 LEU A 62 4.042 -3.552 -3.185 1.00 12.53 H new ATOM 0 HD12 LEU A 62 3.399 -2.099 -2.384 1.00 12.53 H new ATOM 0 HD13 LEU A 62 4.138 -3.396 -1.415 1.00 12.53 H new ATOM 0 HD21 LEU A 62 2.802 -5.715 -3.072 1.00 10.03 H new ATOM 0 HD22 LEU A 62 2.813 -5.731 -1.292 1.00 10.03 H new ATOM 0 HD23 LEU A 62 1.270 -5.834 -2.174 1.00 10.03 H new ATOM 1005 N GLY A 63 -1.499 -2.475 0.488 1.00 13.24 N ATOM 1006 CA GLY A 63 -2.280 -1.851 1.566 1.00 51.01 C ATOM 1007 C GLY A 63 -3.427 -2.732 2.078 1.00 45.33 C ATOM 1008 O GLY A 63 -3.795 -2.669 3.257 1.00 25.40 O ATOM 0 H GLY A 63 -1.732 -2.135 -0.445 1.00 13.24 H new ATOM 0 HA2 GLY A 63 -1.615 -1.615 2.397 1.00 51.01 H new ATOM 0 HA3 GLY A 63 -2.690 -0.907 1.208 1.00 51.01 H new ATOM 1012 N TYR A 64 -4.001 -3.553 1.176 1.00 52.40 N ATOM 1013 CA TYR A 64 -5.106 -4.494 1.506 1.00 44.52 C ATOM 1014 C TYR A 64 -4.593 -5.828 2.123 1.00 65.42 C ATOM 1015 O TYR A 64 -5.407 -6.663 2.541 1.00 61.45 O ATOM 1016 CB TYR A 64 -5.958 -4.790 0.234 1.00 22.53 C ATOM 1017 CG TYR A 64 -6.938 -3.677 -0.193 1.00 13.43 C ATOM 1018 CD1 TYR A 64 -6.504 -2.368 -0.417 1.00 23.42 C ATOM 1019 CD2 TYR A 64 -8.298 -3.947 -0.386 1.00 3.31 C ATOM 1020 CE1 TYR A 64 -7.380 -1.378 -0.817 1.00 51.03 C ATOM 1021 CE2 TYR A 64 -9.173 -2.961 -0.790 1.00 70.03 C ATOM 1022 CZ TYR A 64 -8.711 -1.679 -1.003 1.00 13.51 C ATOM 1023 OH TYR A 64 -9.587 -0.694 -1.409 1.00 40.00 O ATOM 0 H TYR A 64 -3.716 -3.587 0.197 1.00 52.40 H new ATOM 0 HA TYR A 64 -5.724 -4.006 2.260 1.00 44.52 H new ATOM 0 HB2 TYR A 64 -5.280 -4.989 -0.596 1.00 22.53 H new ATOM 0 HB3 TYR A 64 -6.528 -5.703 0.406 1.00 22.53 H new ATOM 0 HD1 TYR A 64 -5.461 -2.125 -0.274 1.00 23.42 H new ATOM 0 HD2 TYR A 64 -8.669 -4.947 -0.215 1.00 3.31 H new ATOM 0 HE1 TYR A 64 -7.023 -0.372 -0.983 1.00 51.03 H new ATOM 0 HE2 TYR A 64 -10.217 -3.192 -0.939 1.00 70.03 H new ATOM 0 HH TYR A 64 -9.686 -0.030 -0.695 1.00 40.00 H new ATOM 1033 N SER A 65 -3.262 -6.019 2.201 1.00 11.10 N ATOM 1034 CA SER A 65 -2.664 -7.301 2.666 1.00 13.23 C ATOM 1035 C SER A 65 -2.726 -7.427 4.207 1.00 31.10 C ATOM 1036 O SER A 65 -2.497 -6.444 4.922 1.00 61.41 O ATOM 1037 CB SER A 65 -1.195 -7.426 2.204 1.00 32.32 C ATOM 1038 OG SER A 65 -0.347 -6.533 2.908 1.00 54.01 O ATOM 0 H SER A 65 -2.575 -5.308 1.950 1.00 11.10 H new ATOM 0 HA SER A 65 -3.251 -8.106 2.223 1.00 13.23 H new ATOM 0 HB2 SER A 65 -0.852 -8.449 2.355 1.00 32.32 H new ATOM 0 HB3 SER A 65 -1.131 -7.223 1.135 1.00 32.32 H new ATOM 0 HG SER A 65 0.528 -6.498 2.469 1.00 54.01 H new ATOM 1044 N ASN A 66 -3.002 -8.653 4.704 1.00 64.33 N ATOM 1045 CA ASN A 66 -3.050 -8.963 6.159 1.00 62.02 C ATOM 1046 C ASN A 66 -1.714 -8.606 6.866 1.00 54.33 C ATOM 1047 O ASN A 66 -1.714 -8.233 8.042 1.00 34.42 O ATOM 1048 CB ASN A 66 -3.394 -10.469 6.365 1.00 32.30 C ATOM 1049 CG ASN A 66 -3.429 -10.905 7.835 1.00 63.21 C ATOM 1050 OD1 ASN A 66 -4.456 -10.811 8.498 1.00 71.11 O ATOM 1051 ND2 ASN A 66 -2.312 -11.386 8.353 1.00 22.00 N ATOM 0 H ASN A 66 -3.199 -9.459 4.111 1.00 64.33 H new ATOM 0 HA ASN A 66 -3.829 -8.350 6.612 1.00 62.02 H new ATOM 0 HB2 ASN A 66 -4.364 -10.675 5.912 1.00 32.30 H new ATOM 0 HB3 ASN A 66 -2.660 -11.075 5.834 1.00 32.30 H new ATOM 0 HD21 ASN A 66 -2.291 -11.690 9.326 1.00 22.00 H new ATOM 0 HD22 ASN A 66 -1.471 -11.453 7.779 1.00 22.00 H new ATOM 1058 N LEU A 67 -0.593 -8.721 6.121 1.00 74.45 N ATOM 1059 CA LEU A 67 0.757 -8.374 6.616 1.00 42.32 C ATOM 1060 C LEU A 67 0.852 -6.876 6.986 1.00 33.01 C ATOM 1061 O LEU A 67 1.330 -6.528 8.066 1.00 61.14 O ATOM 1062 CB LEU A 67 1.827 -8.755 5.559 1.00 13.00 C ATOM 1063 CG LEU A 67 3.322 -8.582 5.988 1.00 70.31 C ATOM 1064 CD1 LEU A 67 3.658 -9.407 7.253 1.00 24.15 C ATOM 1065 CD2 LEU A 67 4.264 -8.929 4.816 1.00 61.44 C ATOM 0 H LEU A 67 -0.599 -9.058 5.158 1.00 74.45 H new ATOM 0 HA LEU A 67 0.946 -8.946 7.524 1.00 42.32 H new ATOM 0 HB2 LEU A 67 1.671 -9.796 5.275 1.00 13.00 H new ATOM 0 HB3 LEU A 67 1.656 -8.152 4.667 1.00 13.00 H new ATOM 0 HG LEU A 67 3.476 -7.535 6.248 1.00 70.31 H new ATOM 0 HD11 LEU A 67 4.705 -9.259 7.517 1.00 24.15 H new ATOM 0 HD12 LEU A 67 3.026 -9.080 8.079 1.00 24.15 H new ATOM 0 HD13 LEU A 67 3.480 -10.464 7.056 1.00 24.15 H new ATOM 0 HD21 LEU A 67 5.300 -8.803 5.132 1.00 61.44 H new ATOM 0 HD22 LEU A 67 4.101 -9.963 4.512 1.00 61.44 H new ATOM 0 HD23 LEU A 67 4.058 -8.266 3.975 1.00 61.44 H new ATOM 1077 N TYR A 68 0.352 -6.002 6.093 1.00 35.50 N ATOM 1078 CA TYR A 68 0.313 -4.543 6.343 1.00 72.23 C ATOM 1079 C TYR A 68 -0.594 -4.202 7.555 1.00 31.31 C ATOM 1080 O TYR A 68 -0.301 -3.285 8.329 1.00 23.24 O ATOM 1081 CB TYR A 68 -0.190 -3.804 5.080 1.00 23.30 C ATOM 1082 CG TYR A 68 -0.147 -2.277 5.197 1.00 3.25 C ATOM 1083 CD1 TYR A 68 1.075 -1.600 5.176 1.00 71.11 C ATOM 1084 CD2 TYR A 68 -1.313 -1.516 5.350 1.00 61.42 C ATOM 1085 CE1 TYR A 68 1.131 -0.234 5.302 1.00 34.33 C ATOM 1086 CE2 TYR A 68 -1.256 -0.144 5.473 1.00 72.43 C ATOM 1087 CZ TYR A 68 -0.032 0.492 5.449 1.00 63.24 C ATOM 1088 OH TYR A 68 0.037 1.861 5.571 1.00 44.05 O ATOM 0 H TYR A 68 -0.032 -6.278 5.189 1.00 35.50 H new ATOM 0 HA TYR A 68 1.325 -4.213 6.577 1.00 72.23 H new ATOM 0 HB2 TYR A 68 0.415 -4.111 4.226 1.00 23.30 H new ATOM 0 HB3 TYR A 68 -1.214 -4.114 4.873 1.00 23.30 H new ATOM 0 HD1 TYR A 68 1.991 -2.160 5.059 1.00 71.11 H new ATOM 0 HD2 TYR A 68 -2.272 -2.012 5.372 1.00 61.42 H new ATOM 0 HE1 TYR A 68 2.085 0.272 5.286 1.00 34.33 H new ATOM 0 HE2 TYR A 68 -2.164 0.429 5.587 1.00 72.43 H new ATOM 0 HH TYR A 68 0.975 2.145 5.548 1.00 44.05 H new ATOM 1098 N LEU A 69 -1.693 -4.959 7.690 1.00 12.10 N ATOM 1099 CA LEU A 69 -2.685 -4.779 8.769 1.00 60.03 C ATOM 1100 C LEU A 69 -2.128 -5.148 10.163 1.00 12.31 C ATOM 1101 O LEU A 69 -2.341 -4.422 11.134 1.00 11.00 O ATOM 1102 CB LEU A 69 -3.978 -5.591 8.444 1.00 3.14 C ATOM 1103 CG LEU A 69 -5.057 -4.852 7.588 1.00 21.41 C ATOM 1104 CD1 LEU A 69 -5.634 -3.658 8.358 1.00 53.12 C ATOM 1105 CD2 LEU A 69 -4.517 -4.411 6.202 1.00 4.31 C ATOM 0 H LEU A 69 -1.923 -5.720 7.051 1.00 12.10 H new ATOM 0 HA LEU A 69 -2.930 -3.718 8.814 1.00 60.03 H new ATOM 0 HB2 LEU A 69 -3.689 -6.502 7.919 1.00 3.14 H new ATOM 0 HB3 LEU A 69 -4.437 -5.897 9.384 1.00 3.14 H new ATOM 0 HG LEU A 69 -5.858 -5.566 7.399 1.00 21.41 H new ATOM 0 HD11 LEU A 69 -6.383 -3.157 7.745 1.00 53.12 H new ATOM 0 HD12 LEU A 69 -6.096 -4.009 9.281 1.00 53.12 H new ATOM 0 HD13 LEU A 69 -4.833 -2.958 8.597 1.00 53.12 H new ATOM 0 HD21 LEU A 69 -5.307 -3.903 5.649 1.00 4.31 H new ATOM 0 HD22 LEU A 69 -3.675 -3.732 6.339 1.00 4.31 H new ATOM 0 HD23 LEU A 69 -4.189 -5.288 5.644 1.00 4.31 H new ATOM 1117 N LYS A 70 -1.430 -6.284 10.267 1.00 60.43 N ATOM 1118 CA LYS A 70 -0.883 -6.757 11.558 1.00 32.51 C ATOM 1119 C LYS A 70 0.335 -5.918 12.018 1.00 73.34 C ATOM 1120 O LYS A 70 0.581 -5.802 13.220 1.00 22.53 O ATOM 1121 CB LYS A 70 -0.529 -8.264 11.479 1.00 72.21 C ATOM 1122 CG LYS A 70 0.553 -8.639 10.443 1.00 42.40 C ATOM 1123 CD LYS A 70 0.779 -10.161 10.330 1.00 73.30 C ATOM 1124 CE LYS A 70 1.221 -10.802 11.663 1.00 33.54 C ATOM 1125 NZ LYS A 70 2.480 -10.209 12.195 1.00 30.24 N ATOM 0 H LYS A 70 -1.227 -6.897 9.478 1.00 60.43 H new ATOM 0 HA LYS A 70 -1.659 -6.624 12.312 1.00 32.51 H new ATOM 0 HB2 LYS A 70 -0.195 -8.593 12.463 1.00 72.21 H new ATOM 0 HB3 LYS A 70 -1.437 -8.821 11.248 1.00 72.21 H new ATOM 0 HG2 LYS A 70 0.265 -8.247 9.468 1.00 42.40 H new ATOM 0 HG3 LYS A 70 1.492 -8.157 10.716 1.00 42.40 H new ATOM 0 HD2 LYS A 70 -0.142 -10.636 9.992 1.00 73.30 H new ATOM 0 HD3 LYS A 70 1.536 -10.356 9.570 1.00 73.30 H new ATOM 0 HE2 LYS A 70 0.427 -10.682 12.400 1.00 33.54 H new ATOM 0 HE3 LYS A 70 1.361 -11.873 11.518 1.00 33.54 H new ATOM 0 HZ1 LYS A 70 3.200 -10.953 12.293 1.00 30.24 H new ATOM 0 HZ2 LYS A 70 2.824 -9.479 11.539 1.00 30.24 H new ATOM 0 HZ3 LYS A 70 2.296 -9.781 13.125 1.00 30.24 H new ATOM 1139 N GLU A 71 1.113 -5.376 11.058 1.00 14.23 N ATOM 1140 CA GLU A 71 2.264 -4.491 11.370 1.00 65.32 C ATOM 1141 C GLU A 71 1.863 -3.009 11.639 1.00 3.01 C ATOM 1142 O GLU A 71 2.236 -2.447 12.668 1.00 15.24 O ATOM 1143 CB GLU A 71 3.324 -4.564 10.235 1.00 34.11 C ATOM 1144 CG GLU A 71 3.832 -5.990 9.916 1.00 65.00 C ATOM 1145 CD GLU A 71 4.339 -6.759 11.154 1.00 31.21 C ATOM 1146 OE1 GLU A 71 5.432 -6.431 11.664 1.00 12.43 O ATOM 1147 OE2 GLU A 71 3.651 -7.696 11.622 1.00 73.10 O ATOM 0 H GLU A 71 0.969 -5.533 10.061 1.00 14.23 H new ATOM 0 HA GLU A 71 2.689 -4.865 12.301 1.00 65.32 H new ATOM 0 HB2 GLU A 71 2.897 -4.134 9.329 1.00 34.11 H new ATOM 0 HB3 GLU A 71 4.176 -3.943 10.511 1.00 34.11 H new ATOM 0 HG2 GLU A 71 3.026 -6.558 9.451 1.00 65.00 H new ATOM 0 HG3 GLU A 71 4.638 -5.924 9.185 1.00 65.00 H new ATOM 1154 N PHE A 72 1.121 -2.374 10.709 1.00 60.13 N ATOM 1155 CA PHE A 72 0.831 -0.901 10.759 1.00 53.55 C ATOM 1156 C PHE A 72 -0.683 -0.574 10.882 1.00 73.25 C ATOM 1157 O PHE A 72 -1.175 0.380 10.261 1.00 22.23 O ATOM 1158 CB PHE A 72 1.448 -0.213 9.501 1.00 52.22 C ATOM 1159 CG PHE A 72 2.972 -0.323 9.434 1.00 42.11 C ATOM 1160 CD1 PHE A 72 3.777 0.456 10.271 1.00 70.20 C ATOM 1161 CD2 PHE A 72 3.599 -1.207 8.552 1.00 54.34 C ATOM 1162 CE1 PHE A 72 5.153 0.352 10.227 1.00 53.22 C ATOM 1163 CE2 PHE A 72 4.973 -1.307 8.512 1.00 42.12 C ATOM 1164 CZ PHE A 72 5.751 -0.530 9.346 1.00 2.21 C ATOM 0 H PHE A 72 0.705 -2.848 9.907 1.00 60.13 H new ATOM 0 HA PHE A 72 1.291 -0.508 11.665 1.00 53.55 H new ATOM 0 HB2 PHE A 72 1.019 -0.661 8.604 1.00 52.22 H new ATOM 0 HB3 PHE A 72 1.167 0.840 9.497 1.00 52.22 H new ATOM 0 HD1 PHE A 72 3.316 1.148 10.961 1.00 70.20 H new ATOM 0 HD2 PHE A 72 3.000 -1.819 7.894 1.00 54.34 H new ATOM 0 HE1 PHE A 72 5.762 0.959 10.880 1.00 53.22 H new ATOM 0 HE2 PHE A 72 5.443 -1.996 7.825 1.00 42.12 H new ATOM 0 HZ PHE A 72 6.827 -0.611 9.310 1.00 2.21 H new ATOM 1174 N TYR A 73 -1.403 -1.333 11.733 1.00 0.33 N ATOM 1175 CA TYR A 73 -2.842 -1.069 12.015 1.00 62.54 C ATOM 1176 C TYR A 73 -3.257 -1.639 13.389 1.00 43.22 C ATOM 1177 O TYR A 73 -3.813 -0.929 14.230 1.00 24.44 O ATOM 1178 CB TYR A 73 -3.731 -1.642 10.873 1.00 44.33 C ATOM 1179 CG TYR A 73 -5.255 -1.395 10.999 1.00 2.03 C ATOM 1180 CD1 TYR A 73 -6.099 -2.308 11.655 1.00 10.43 C ATOM 1181 CD2 TYR A 73 -5.854 -0.273 10.420 1.00 41.34 C ATOM 1182 CE1 TYR A 73 -7.465 -2.098 11.731 1.00 52.05 C ATOM 1183 CE2 TYR A 73 -7.220 -0.066 10.489 1.00 32.23 C ATOM 1184 CZ TYR A 73 -8.020 -0.978 11.144 1.00 22.14 C ATOM 1185 OH TYR A 73 -9.384 -0.770 11.202 1.00 22.21 O ATOM 0 H TYR A 73 -1.020 -2.132 12.238 1.00 0.33 H new ATOM 0 HA TYR A 73 -2.991 0.010 12.054 1.00 62.54 H new ATOM 0 HB2 TYR A 73 -3.392 -1.215 9.929 1.00 44.33 H new ATOM 0 HB3 TYR A 73 -3.562 -2.717 10.815 1.00 44.33 H new ATOM 0 HD1 TYR A 73 -5.673 -3.191 12.109 1.00 10.43 H new ATOM 0 HD2 TYR A 73 -5.236 0.449 9.907 1.00 41.34 H new ATOM 0 HE1 TYR A 73 -8.095 -2.807 12.247 1.00 52.05 H new ATOM 0 HE2 TYR A 73 -7.659 0.808 10.031 1.00 32.23 H new ATOM 0 HH TYR A 73 -9.607 0.065 10.740 1.00 22.21 H new ATOM 1195 N THR A 74 -2.973 -2.932 13.591 1.00 43.34 N ATOM 1196 CA THR A 74 -3.374 -3.681 14.805 1.00 13.30 C ATOM 1197 C THR A 74 -2.617 -3.215 16.103 1.00 64.12 C ATOM 1198 O THR A 74 -3.274 -2.975 17.124 1.00 53.04 O ATOM 1199 CB THR A 74 -3.203 -5.230 14.588 1.00 14.33 C ATOM 1200 OG1 THR A 74 -3.896 -5.635 13.388 1.00 72.22 O ATOM 1201 CG2 THR A 74 -3.731 -6.055 15.776 1.00 0.13 C ATOM 0 H THR A 74 -2.456 -3.497 12.918 1.00 43.34 H new ATOM 0 HA THR A 74 -4.428 -3.457 14.967 1.00 13.30 H new ATOM 0 HB THR A 74 -2.134 -5.423 14.498 1.00 14.33 H new ATOM 0 HG1 THR A 74 -3.436 -5.267 12.605 1.00 72.22 H new ATOM 0 HG21 THR A 74 -3.588 -7.117 15.574 1.00 0.13 H new ATOM 0 HG22 THR A 74 -3.186 -5.781 16.680 1.00 0.13 H new ATOM 0 HG23 THR A 74 -4.793 -5.852 15.917 1.00 0.13 H new ATOM 1209 N PRO A 75 -1.237 -3.059 16.112 1.00 64.11 N ATOM 1210 CA PRO A 75 -0.499 -2.630 17.337 1.00 70.03 C ATOM 1211 C PRO A 75 -0.492 -1.090 17.564 1.00 74.53 C ATOM 1212 O PRO A 75 0.146 -0.603 18.502 1.00 63.41 O ATOM 1213 CB PRO A 75 0.925 -3.163 17.065 1.00 71.00 C ATOM 1214 CG PRO A 75 1.090 -3.038 15.580 1.00 10.33 C ATOM 1215 CD PRO A 75 -0.287 -3.277 14.976 1.00 52.21 C ATOM 0 HA PRO A 75 -0.961 -3.012 18.247 1.00 70.03 H new ATOM 0 HB2 PRO A 75 1.676 -2.581 17.599 1.00 71.00 H new ATOM 0 HB3 PRO A 75 1.032 -4.197 17.391 1.00 71.00 H new ATOM 0 HG2 PRO A 75 1.466 -2.051 15.312 1.00 10.33 H new ATOM 0 HG3 PRO A 75 1.810 -3.766 15.206 1.00 10.33 H new ATOM 0 HD2 PRO A 75 -0.485 -2.588 14.155 1.00 52.21 H new ATOM 0 HD3 PRO A 75 -0.374 -4.286 14.574 1.00 52.21 H new ATOM 1223 N TYR A 76 -1.203 -0.339 16.701 1.00 0.42 N ATOM 1224 CA TYR A 76 -1.245 1.146 16.741 1.00 62.33 C ATOM 1225 C TYR A 76 -2.696 1.674 16.799 1.00 3.22 C ATOM 1226 O TYR A 76 -3.606 1.023 16.283 1.00 64.10 O ATOM 1227 CB TYR A 76 -0.506 1.732 15.500 1.00 31.10 C ATOM 1228 CG TYR A 76 1.004 1.472 15.522 1.00 5.31 C ATOM 1229 CD1 TYR A 76 1.819 2.114 16.461 1.00 73.50 C ATOM 1230 CD2 TYR A 76 1.605 0.565 14.649 1.00 21.13 C ATOM 1231 CE1 TYR A 76 3.171 1.868 16.518 1.00 35.11 C ATOM 1232 CE2 TYR A 76 2.957 0.309 14.710 1.00 73.31 C ATOM 1233 CZ TYR A 76 3.738 0.964 15.644 1.00 73.31 C ATOM 1234 OH TYR A 76 5.090 0.709 15.713 1.00 54.41 O ATOM 0 H TYR A 76 -1.768 -0.741 15.953 1.00 0.42 H new ATOM 0 HA TYR A 76 -0.740 1.472 17.650 1.00 62.33 H new ATOM 0 HB2 TYR A 76 -0.930 1.299 14.594 1.00 31.10 H new ATOM 0 HB3 TYR A 76 -0.683 2.806 15.453 1.00 31.10 H new ATOM 0 HD1 TYR A 76 1.378 2.816 17.154 1.00 73.50 H new ATOM 0 HD2 TYR A 76 1.000 0.055 13.913 1.00 21.13 H new ATOM 0 HE1 TYR A 76 3.786 2.380 17.243 1.00 35.11 H new ATOM 0 HE2 TYR A 76 3.405 -0.401 14.031 1.00 73.31 H new ATOM 0 HH TYR A 76 5.334 0.049 15.031 1.00 54.41 H new ATOM 1244 N PRO A 77 -2.939 2.875 17.428 1.00 52.43 N ATOM 1245 CA PRO A 77 -4.278 3.527 17.411 1.00 31.51 C ATOM 1246 C PRO A 77 -4.637 4.074 16.006 1.00 54.23 C ATOM 1247 O PRO A 77 -3.774 4.131 15.115 1.00 13.21 O ATOM 1248 CB PRO A 77 -4.124 4.675 18.443 1.00 50.42 C ATOM 1249 CG PRO A 77 -2.664 5.016 18.378 1.00 14.55 C ATOM 1250 CD PRO A 77 -1.950 3.689 18.196 1.00 73.11 C ATOM 0 HA PRO A 77 -5.086 2.837 17.653 1.00 31.51 H new ATOM 0 HB2 PRO A 77 -4.747 5.531 18.186 1.00 50.42 H new ATOM 0 HB3 PRO A 77 -4.417 4.357 19.443 1.00 50.42 H new ATOM 0 HG2 PRO A 77 -2.455 5.692 17.549 1.00 14.55 H new ATOM 0 HG3 PRO A 77 -2.336 5.517 19.289 1.00 14.55 H new ATOM 0 HD2 PRO A 77 -1.014 3.806 17.650 1.00 73.11 H new ATOM 0 HD3 PRO A 77 -1.705 3.228 19.153 1.00 73.11 H new ATOM 1258 N ASN A 78 -5.902 4.512 15.846 1.00 32.24 N ATOM 1259 CA ASN A 78 -6.442 4.989 14.548 1.00 51.22 C ATOM 1260 C ASN A 78 -5.598 6.144 13.974 1.00 75.03 C ATOM 1261 O ASN A 78 -5.168 6.083 12.820 1.00 32.42 O ATOM 1262 CB ASN A 78 -7.921 5.434 14.686 1.00 23.21 C ATOM 1263 CG ASN A 78 -8.872 4.306 15.091 1.00 11.11 C ATOM 1264 OD1 ASN A 78 -8.505 3.384 15.810 1.00 61.43 O ATOM 1265 ND2 ASN A 78 -10.112 4.376 14.634 1.00 32.35 N ATOM 0 H ASN A 78 -6.580 4.547 16.608 1.00 32.24 H new ATOM 0 HA ASN A 78 -6.392 4.150 13.854 1.00 51.22 H new ATOM 0 HB2 ASN A 78 -7.983 6.232 15.426 1.00 23.21 H new ATOM 0 HB3 ASN A 78 -8.254 5.854 13.737 1.00 23.21 H new ATOM 0 HD21 ASN A 78 -10.787 3.652 14.879 1.00 32.35 H new ATOM 0 HD22 ASN A 78 -10.392 5.154 14.037 1.00 32.35 H new ATOM 1272 N THR A 79 -5.319 7.166 14.811 1.00 75.01 N ATOM 1273 CA THR A 79 -4.521 8.360 14.454 1.00 1.13 C ATOM 1274 C THR A 79 -3.074 8.046 13.974 1.00 74.24 C ATOM 1275 O THR A 79 -2.474 8.850 13.240 1.00 33.42 O ATOM 1276 CB THR A 79 -4.482 9.303 15.714 1.00 41.44 C ATOM 1277 OG1 THR A 79 -5.824 9.554 16.177 1.00 43.03 O ATOM 1278 CG2 THR A 79 -3.793 10.654 15.464 1.00 53.40 C ATOM 0 H THR A 79 -5.650 7.185 15.776 1.00 75.01 H new ATOM 0 HA THR A 79 -5.004 8.837 13.601 1.00 1.13 H new ATOM 0 HB THR A 79 -3.891 8.774 16.462 1.00 41.44 H new ATOM 0 HG1 THR A 79 -5.795 10.140 16.962 1.00 43.03 H new ATOM 0 HG21 THR A 79 -3.808 11.245 16.380 1.00 53.40 H new ATOM 0 HG22 THR A 79 -2.761 10.485 15.158 1.00 53.40 H new ATOM 0 HG23 THR A 79 -4.321 11.192 14.677 1.00 53.40 H new ATOM 1286 N LYS A 80 -2.519 6.864 14.335 1.00 3.40 N ATOM 1287 CA LYS A 80 -1.101 6.543 14.045 1.00 25.11 C ATOM 1288 C LYS A 80 -1.021 5.794 12.698 1.00 4.51 C ATOM 1289 O LYS A 80 -0.073 5.975 11.929 1.00 31.40 O ATOM 1290 CB LYS A 80 -0.490 5.669 15.164 1.00 64.23 C ATOM 1291 CG LYS A 80 1.029 5.407 15.015 1.00 50.02 C ATOM 1292 CD LYS A 80 1.871 6.695 15.198 1.00 51.54 C ATOM 1293 CE LYS A 80 3.384 6.434 15.142 1.00 63.25 C ATOM 1294 NZ LYS A 80 4.173 7.680 15.340 1.00 11.35 N ATOM 0 H LYS A 80 -3.025 6.125 14.822 1.00 3.40 H new ATOM 0 HA LYS A 80 -0.534 7.472 13.993 1.00 25.11 H new ATOM 0 HB2 LYS A 80 -0.670 6.152 16.124 1.00 64.23 H new ATOM 0 HB3 LYS A 80 -1.011 4.712 15.186 1.00 64.23 H new ATOM 0 HG2 LYS A 80 1.341 4.665 15.750 1.00 50.02 H new ATOM 0 HG3 LYS A 80 1.227 4.983 14.030 1.00 50.02 H new ATOM 0 HD2 LYS A 80 1.602 7.412 14.422 1.00 51.54 H new ATOM 0 HD3 LYS A 80 1.622 7.153 16.155 1.00 51.54 H new ATOM 0 HE2 LYS A 80 3.655 5.708 15.908 1.00 63.25 H new ATOM 0 HE3 LYS A 80 3.640 5.992 14.179 1.00 63.25 H new ATOM 0 HZ1 LYS A 80 5.185 7.445 15.396 1.00 11.35 H new ATOM 0 HZ2 LYS A 80 4.011 8.324 14.540 1.00 11.35 H new ATOM 0 HZ3 LYS A 80 3.875 8.143 16.222 1.00 11.35 H new ATOM 1308 N VAL A 81 -2.052 4.951 12.435 1.00 53.42 N ATOM 1309 CA VAL A 81 -2.241 4.269 11.129 1.00 34.24 C ATOM 1310 C VAL A 81 -2.318 5.309 9.989 1.00 1.15 C ATOM 1311 O VAL A 81 -1.900 5.050 8.867 1.00 5.35 O ATOM 1312 CB VAL A 81 -3.565 3.407 11.117 1.00 73.14 C ATOM 1313 CG1 VAL A 81 -3.756 2.654 9.771 1.00 24.23 C ATOM 1314 CG2 VAL A 81 -3.614 2.432 12.317 1.00 54.51 C ATOM 0 H VAL A 81 -2.773 4.726 13.120 1.00 53.42 H new ATOM 0 HA VAL A 81 -1.386 3.610 10.979 1.00 34.24 H new ATOM 0 HB VAL A 81 -4.399 4.102 11.218 1.00 73.14 H new ATOM 0 HG11 VAL A 81 -4.678 2.074 9.806 1.00 24.23 H new ATOM 0 HG12 VAL A 81 -3.812 3.375 8.955 1.00 24.23 H new ATOM 0 HG13 VAL A 81 -2.912 1.984 9.606 1.00 24.23 H new ATOM 0 HG21 VAL A 81 -4.537 1.854 12.279 1.00 54.51 H new ATOM 0 HG22 VAL A 81 -2.761 1.756 12.271 1.00 54.51 H new ATOM 0 HG23 VAL A 81 -3.579 2.998 13.248 1.00 54.51 H new ATOM 1324 N ILE A 82 -2.860 6.487 10.323 1.00 21.30 N ATOM 1325 CA ILE A 82 -3.040 7.595 9.383 1.00 74.31 C ATOM 1326 C ILE A 82 -1.690 8.205 8.936 1.00 74.32 C ATOM 1327 O ILE A 82 -1.442 8.283 7.734 1.00 4.00 O ATOM 1328 CB ILE A 82 -3.999 8.667 10.013 1.00 51.45 C ATOM 1329 CG1 ILE A 82 -5.397 8.007 10.270 1.00 60.34 C ATOM 1330 CG2 ILE A 82 -4.118 9.936 9.130 1.00 22.34 C ATOM 1331 CD1 ILE A 82 -6.349 8.826 11.112 1.00 53.13 C ATOM 0 H ILE A 82 -3.189 6.698 11.265 1.00 21.30 H new ATOM 0 HA ILE A 82 -3.503 7.210 8.475 1.00 74.31 H new ATOM 0 HB ILE A 82 -3.578 9.002 10.961 1.00 51.45 H new ATOM 0 HG12 ILE A 82 -5.869 7.806 9.308 1.00 60.34 H new ATOM 0 HG13 ILE A 82 -5.243 7.044 10.757 1.00 60.34 H new ATOM 0 HG21 ILE A 82 -4.791 10.649 9.606 1.00 22.34 H new ATOM 0 HG22 ILE A 82 -3.134 10.390 9.011 1.00 22.34 H new ATOM 0 HG23 ILE A 82 -4.512 9.663 8.151 1.00 22.34 H new ATOM 0 HD11 ILE A 82 -7.287 8.284 11.232 1.00 53.13 H new ATOM 0 HD12 ILE A 82 -5.906 9.006 12.091 1.00 53.13 H new ATOM 0 HD13 ILE A 82 -6.542 9.780 10.620 1.00 53.13 H new ATOM 1343 N GLU A 83 -0.799 8.613 9.876 1.00 4.51 N ATOM 1344 CA GLU A 83 0.530 9.167 9.504 1.00 12.03 C ATOM 1345 C GLU A 83 1.463 8.096 8.879 1.00 14.11 C ATOM 1346 O GLU A 83 2.049 8.330 7.807 1.00 10.54 O ATOM 1347 CB GLU A 83 1.215 9.856 10.723 1.00 70.02 C ATOM 1348 CG GLU A 83 1.433 8.949 11.949 1.00 13.15 C ATOM 1349 CD GLU A 83 2.297 9.598 13.042 1.00 10.11 C ATOM 1350 OE1 GLU A 83 3.540 9.454 12.996 1.00 14.31 O ATOM 1351 OE2 GLU A 83 1.744 10.248 13.953 1.00 33.23 O ATOM 0 H GLU A 83 -0.972 8.570 10.880 1.00 4.51 H new ATOM 0 HA GLU A 83 0.351 9.922 8.738 1.00 12.03 H new ATOM 0 HB2 GLU A 83 2.181 10.247 10.404 1.00 70.02 H new ATOM 0 HB3 GLU A 83 0.609 10.710 11.026 1.00 70.02 H new ATOM 0 HG2 GLU A 83 0.464 8.683 12.372 1.00 13.15 H new ATOM 0 HG3 GLU A 83 1.905 8.021 11.626 1.00 13.15 H new ATOM 1358 N LEU A 84 1.605 6.923 9.552 1.00 31.22 N ATOM 1359 CA LEU A 84 2.379 5.778 9.025 1.00 24.55 C ATOM 1360 C LEU A 84 1.811 5.262 7.680 1.00 73.15 C ATOM 1361 O LEU A 84 2.562 4.799 6.825 1.00 60.44 O ATOM 1362 CB LEU A 84 2.436 4.629 10.087 1.00 44.21 C ATOM 1363 CG LEU A 84 3.105 4.972 11.462 1.00 75.41 C ATOM 1364 CD1 LEU A 84 3.213 3.717 12.363 1.00 72.24 C ATOM 1365 CD2 LEU A 84 4.471 5.679 11.290 1.00 52.52 C ATOM 0 H LEU A 84 1.188 6.750 10.467 1.00 31.22 H new ATOM 0 HA LEU A 84 3.393 6.126 8.828 1.00 24.55 H new ATOM 0 HB2 LEU A 84 1.417 4.293 10.279 1.00 44.21 H new ATOM 0 HB3 LEU A 84 2.972 3.787 9.649 1.00 44.21 H new ATOM 0 HG LEU A 84 2.452 5.683 11.968 1.00 75.41 H new ATOM 0 HD11 LEU A 84 3.681 3.988 13.309 1.00 72.24 H new ATOM 0 HD12 LEU A 84 2.216 3.318 12.552 1.00 72.24 H new ATOM 0 HD13 LEU A 84 3.818 2.961 11.862 1.00 72.24 H new ATOM 0 HD21 LEU A 84 4.894 5.896 12.271 1.00 52.52 H new ATOM 0 HD22 LEU A 84 5.150 5.030 10.737 1.00 52.52 H new ATOM 0 HD23 LEU A 84 4.332 6.610 10.741 1.00 52.52 H new ATOM 1377 N GLY A 85 0.492 5.391 7.499 1.00 12.24 N ATOM 1378 CA GLY A 85 -0.173 5.000 6.250 1.00 54.35 C ATOM 1379 C GLY A 85 0.151 5.935 5.086 1.00 50.51 C ATOM 1380 O GLY A 85 0.488 5.479 3.989 1.00 62.31 O ATOM 0 H GLY A 85 -0.140 5.766 8.207 1.00 12.24 H new ATOM 0 HA2 GLY A 85 0.125 3.985 5.988 1.00 54.35 H new ATOM 0 HA3 GLY A 85 -1.251 4.985 6.408 1.00 54.35 H new ATOM 1384 N THR A 86 0.088 7.252 5.346 1.00 62.55 N ATOM 1385 CA THR A 86 0.296 8.295 4.323 1.00 52.24 C ATOM 1386 C THR A 86 1.739 8.269 3.755 1.00 2.23 C ATOM 1387 O THR A 86 1.918 8.374 2.552 1.00 1.34 O ATOM 1388 CB THR A 86 -0.043 9.713 4.914 1.00 1.34 C ATOM 1389 OG1 THR A 86 -1.408 9.754 5.369 1.00 45.22 O ATOM 1390 CG2 THR A 86 0.149 10.859 3.913 1.00 0.14 C ATOM 0 H THR A 86 -0.109 7.626 6.274 1.00 62.55 H new ATOM 0 HA THR A 86 -0.381 8.085 3.495 1.00 52.24 H new ATOM 0 HB THR A 86 0.658 9.858 5.736 1.00 1.34 H new ATOM 0 HG1 THR A 86 -1.486 9.262 6.213 1.00 45.22 H new ATOM 0 HG21 THR A 86 -0.104 11.806 4.391 1.00 0.14 H new ATOM 0 HG22 THR A 86 1.188 10.884 3.584 1.00 0.14 H new ATOM 0 HG23 THR A 86 -0.501 10.703 3.052 1.00 0.14 H new ATOM 1398 N LYS A 87 2.768 8.125 4.621 1.00 74.10 N ATOM 1399 CA LYS A 87 4.186 8.039 4.161 1.00 63.10 C ATOM 1400 C LYS A 87 4.468 6.823 3.226 1.00 64.33 C ATOM 1401 O LYS A 87 5.391 6.875 2.407 1.00 73.43 O ATOM 1402 CB LYS A 87 5.161 8.008 5.368 1.00 22.53 C ATOM 1403 CG LYS A 87 5.067 6.731 6.220 1.00 20.35 C ATOM 1404 CD LYS A 87 6.190 6.614 7.274 1.00 12.52 C ATOM 1405 CE LYS A 87 6.125 5.279 8.029 1.00 52.03 C ATOM 1406 NZ LYS A 87 7.263 5.094 8.965 1.00 12.30 N ATOM 0 H LYS A 87 2.652 8.066 5.633 1.00 74.10 H new ATOM 0 HA LYS A 87 4.357 8.939 3.571 1.00 63.10 H new ATOM 0 HB2 LYS A 87 6.182 8.111 4.999 1.00 22.53 H new ATOM 0 HB3 LYS A 87 4.963 8.871 6.004 1.00 22.53 H new ATOM 0 HG2 LYS A 87 4.101 6.710 6.725 1.00 20.35 H new ATOM 0 HG3 LYS A 87 5.103 5.862 5.564 1.00 20.35 H new ATOM 0 HD2 LYS A 87 7.159 6.708 6.785 1.00 12.52 H new ATOM 0 HD3 LYS A 87 6.110 7.437 7.984 1.00 12.52 H new ATOM 0 HE2 LYS A 87 5.190 5.226 8.586 1.00 52.03 H new ATOM 0 HE3 LYS A 87 6.114 4.460 7.310 1.00 52.03 H new ATOM 0 HZ1 LYS A 87 7.008 4.389 9.686 1.00 12.30 H new ATOM 0 HZ2 LYS A 87 8.096 4.764 8.437 1.00 12.30 H new ATOM 0 HZ3 LYS A 87 7.483 5.999 9.428 1.00 12.30 H new ATOM 1420 N HIS A 88 3.701 5.725 3.380 1.00 41.31 N ATOM 1421 CA HIS A 88 3.839 4.527 2.514 1.00 44.41 C ATOM 1422 C HIS A 88 3.271 4.754 1.088 1.00 63.13 C ATOM 1423 O HIS A 88 3.788 4.202 0.115 1.00 50.44 O ATOM 1424 CB HIS A 88 3.161 3.304 3.184 1.00 34.55 C ATOM 1425 CG HIS A 88 3.788 2.886 4.493 1.00 13.35 C ATOM 1426 ND1 HIS A 88 3.071 2.345 5.536 1.00 4.50 N ATOM 1427 CD2 HIS A 88 5.080 2.898 4.909 1.00 13.01 C ATOM 1428 CE1 HIS A 88 3.885 2.044 6.527 1.00 1.34 C ATOM 1429 NE2 HIS A 88 5.107 2.366 6.174 1.00 54.52 N ATOM 0 H HIS A 88 2.978 5.639 4.095 1.00 41.31 H new ATOM 0 HA HIS A 88 4.905 4.331 2.399 1.00 44.41 H new ATOM 0 HB2 HIS A 88 2.110 3.535 3.355 1.00 34.55 H new ATOM 0 HB3 HIS A 88 3.194 2.461 2.493 1.00 34.55 H new ATOM 0 HD2 HIS A 88 5.929 3.259 4.348 1.00 13.01 H new ATOM 0 HE1 HIS A 88 3.595 1.606 7.471 1.00 1.34 H new ATOM 0 HE2 HIS A 88 5.942 2.241 6.747 1.00 54.52 H new ATOM 1438 N PHE A 89 2.191 5.542 0.980 1.00 44.02 N ATOM 1439 CA PHE A 89 1.531 5.826 -0.323 1.00 14.43 C ATOM 1440 C PHE A 89 1.857 7.251 -0.827 1.00 65.03 C ATOM 1441 O PHE A 89 2.535 7.418 -1.848 1.00 42.43 O ATOM 1442 CB PHE A 89 0.000 5.602 -0.194 1.00 45.10 C ATOM 1443 CG PHE A 89 -0.372 4.154 0.168 1.00 22.22 C ATOM 1444 CD1 PHE A 89 -0.268 3.691 1.480 1.00 1.40 C ATOM 1445 CD2 PHE A 89 -0.796 3.254 -0.804 1.00 35.11 C ATOM 1446 CE1 PHE A 89 -0.574 2.391 1.807 1.00 5.21 C ATOM 1447 CE2 PHE A 89 -1.100 1.950 -0.477 1.00 15.42 C ATOM 1448 CZ PHE A 89 -0.989 1.518 0.828 1.00 62.12 C ATOM 0 H PHE A 89 1.748 6.000 1.777 1.00 44.02 H new ATOM 0 HA PHE A 89 1.922 5.134 -1.069 1.00 14.43 H new ATOM 0 HB2 PHE A 89 -0.396 6.273 0.568 1.00 45.10 H new ATOM 0 HB3 PHE A 89 -0.480 5.869 -1.135 1.00 45.10 H new ATOM 0 HD1 PHE A 89 0.060 4.368 2.255 1.00 1.40 H new ATOM 0 HD2 PHE A 89 -0.888 3.581 -1.829 1.00 35.11 H new ATOM 0 HE1 PHE A 89 -0.489 2.056 2.830 1.00 5.21 H new ATOM 0 HE2 PHE A 89 -1.426 1.264 -1.245 1.00 15.42 H new ATOM 0 HZ PHE A 89 -1.228 0.496 1.081 1.00 62.12 H new ATOM 1458 N LEU A 90 1.398 8.279 -0.088 1.00 23.34 N ATOM 1459 CA LEU A 90 1.593 9.702 -0.467 1.00 74.44 C ATOM 1460 C LEU A 90 3.046 10.193 -0.206 1.00 42.45 C ATOM 1461 O LEU A 90 3.434 11.282 -0.650 1.00 1.32 O ATOM 1462 CB LEU A 90 0.564 10.576 0.300 1.00 50.34 C ATOM 1463 CG LEU A 90 -0.945 10.256 0.020 1.00 12.25 C ATOM 1464 CD1 LEU A 90 -1.891 11.156 0.848 1.00 51.51 C ATOM 1465 CD2 LEU A 90 -1.258 10.360 -1.481 1.00 40.35 C ATOM 0 H LEU A 90 0.884 8.154 0.784 1.00 23.34 H new ATOM 0 HA LEU A 90 1.429 9.795 -1.541 1.00 74.44 H new ATOM 0 HB2 LEU A 90 0.747 10.466 1.369 1.00 50.34 H new ATOM 0 HB3 LEU A 90 0.747 11.621 0.051 1.00 50.34 H new ATOM 0 HG LEU A 90 -1.122 9.228 0.336 1.00 12.25 H new ATOM 0 HD11 LEU A 90 -2.926 10.900 0.623 1.00 51.51 H new ATOM 0 HD12 LEU A 90 -1.702 11.002 1.910 1.00 51.51 H new ATOM 0 HD13 LEU A 90 -1.712 12.201 0.595 1.00 51.51 H new ATOM 0 HD21 LEU A 90 -2.311 10.134 -1.650 1.00 40.35 H new ATOM 0 HD22 LEU A 90 -1.044 11.371 -1.828 1.00 40.35 H new ATOM 0 HD23 LEU A 90 -0.641 9.649 -2.031 1.00 40.35 H new ATOM 1477 N GLY A 91 3.834 9.390 0.533 1.00 63.22 N ATOM 1478 CA GLY A 91 5.253 9.679 0.776 1.00 54.31 C ATOM 1479 C GLY A 91 5.513 10.841 1.745 1.00 20.52 C ATOM 1480 O GLY A 91 6.586 11.437 1.703 1.00 54.30 O ATOM 0 H GLY A 91 3.505 8.531 0.973 1.00 63.22 H new ATOM 0 HA2 GLY A 91 5.731 8.782 1.169 1.00 54.31 H new ATOM 0 HA3 GLY A 91 5.733 9.904 -0.177 1.00 54.31 H new ATOM 1484 N ARG A 92 4.551 11.133 2.643 1.00 45.31 N ATOM 1485 CA ARG A 92 4.658 12.264 3.598 1.00 52.34 C ATOM 1486 C ARG A 92 3.712 12.079 4.822 1.00 31.45 C ATOM 1487 O ARG A 92 3.077 11.047 4.968 1.00 13.45 O ATOM 1488 CB ARG A 92 4.432 13.626 2.843 1.00 40.33 C ATOM 1489 CG ARG A 92 3.131 13.734 1.994 1.00 42.34 C ATOM 1490 CD ARG A 92 1.885 14.097 2.815 1.00 11.03 C ATOM 1491 NE ARG A 92 0.669 14.101 2.013 1.00 44.53 N ATOM 1492 CZ ARG A 92 -0.509 14.526 2.408 1.00 24.23 C ATOM 1493 NH1 ARG A 92 -0.686 15.068 3.576 1.00 52.03 N ATOM 1494 NH2 ARG A 92 -1.503 14.428 1.604 1.00 51.33 N ATOM 0 H ARG A 92 3.685 10.601 2.730 1.00 45.31 H new ATOM 0 HA ARG A 92 5.666 12.283 4.012 1.00 52.34 H new ATOM 0 HB2 ARG A 92 4.428 14.429 3.580 1.00 40.33 H new ATOM 0 HB3 ARG A 92 5.285 13.799 2.187 1.00 40.33 H new ATOM 0 HG2 ARG A 92 3.276 14.486 1.218 1.00 42.34 H new ATOM 0 HG3 ARG A 92 2.958 12.784 1.489 1.00 42.34 H new ATOM 0 HD2 ARG A 92 1.774 13.386 3.634 1.00 11.03 H new ATOM 0 HD3 ARG A 92 2.024 15.081 3.264 1.00 11.03 H new ATOM 0 HE ARG A 92 0.739 13.742 1.061 1.00 44.53 H new ATOM 0 HH11 ARG A 92 0.103 15.173 4.214 1.00 52.03 H new ATOM 0 HH12 ARG A 92 -1.614 15.389 3.854 1.00 52.03 H new ATOM 0 HH21 ARG A 92 -1.371 14.026 0.676 1.00 51.33 H new ATOM 0 HH22 ARG A 92 -2.426 14.752 1.892 1.00 51.33 H new ATOM 1508 N ALA A 93 3.680 13.089 5.701 1.00 70.25 N ATOM 1509 CA ALA A 93 2.759 13.136 6.876 1.00 55.25 C ATOM 1510 C ALA A 93 1.480 13.967 6.539 1.00 3.11 C ATOM 1511 O ALA A 93 1.577 14.937 5.792 1.00 64.34 O ATOM 1512 CB ALA A 93 3.490 13.722 8.093 1.00 23.41 C ATOM 0 H ALA A 93 4.288 13.905 5.629 1.00 70.25 H new ATOM 0 HA ALA A 93 2.444 12.121 7.118 1.00 55.25 H new ATOM 0 HB1 ALA A 93 2.811 13.753 8.945 1.00 23.41 H new ATOM 0 HB2 ALA A 93 4.350 13.098 8.336 1.00 23.41 H new ATOM 0 HB3 ALA A 93 3.829 14.732 7.862 1.00 23.41 H new ATOM 1518 N PRO A 94 0.260 13.614 7.089 1.00 3.11 N ATOM 1519 CA PRO A 94 -1.015 14.361 6.822 1.00 64.41 C ATOM 1520 C PRO A 94 -0.925 15.888 7.141 1.00 22.23 C ATOM 1521 O PRO A 94 -0.118 16.311 7.978 1.00 44.55 O ATOM 1522 CB PRO A 94 -2.065 13.643 7.725 1.00 11.44 C ATOM 1523 CG PRO A 94 -1.243 12.869 8.722 1.00 72.55 C ATOM 1524 CD PRO A 94 0.018 12.465 7.991 1.00 43.11 C ATOM 0 HA PRO A 94 -1.272 14.339 5.763 1.00 64.41 H new ATOM 0 HB2 PRO A 94 -2.718 14.361 8.222 1.00 11.44 H new ATOM 0 HB3 PRO A 94 -2.705 12.982 7.140 1.00 11.44 H new ATOM 0 HG2 PRO A 94 -1.011 13.479 9.595 1.00 72.55 H new ATOM 0 HG3 PRO A 94 -1.785 11.994 9.080 1.00 72.55 H new ATOM 0 HD2 PRO A 94 0.850 12.308 8.677 1.00 43.11 H new ATOM 0 HD3 PRO A 94 -0.117 11.537 7.436 1.00 43.11 H new ATOM 1532 N ILE A 95 -1.788 16.687 6.475 1.00 42.11 N ATOM 1533 CA ILE A 95 -1.706 18.173 6.476 1.00 11.25 C ATOM 1534 C ILE A 95 -1.957 18.782 7.880 1.00 63.12 C ATOM 1535 O ILE A 95 -1.143 19.565 8.388 1.00 54.22 O ATOM 1536 CB ILE A 95 -2.719 18.806 5.435 1.00 50.55 C ATOM 1537 CG1 ILE A 95 -2.412 18.306 3.982 1.00 61.43 C ATOM 1538 CG2 ILE A 95 -2.718 20.359 5.501 1.00 42.33 C ATOM 1539 CD1 ILE A 95 -3.290 18.918 2.895 1.00 1.24 C ATOM 0 H ILE A 95 -2.563 16.324 5.920 1.00 42.11 H new ATOM 0 HA ILE A 95 -0.686 18.419 6.181 1.00 11.25 H new ATOM 0 HB ILE A 95 -3.720 18.470 5.708 1.00 50.55 H new ATOM 0 HG12 ILE A 95 -1.369 18.523 3.751 1.00 61.43 H new ATOM 0 HG13 ILE A 95 -2.526 17.222 3.954 1.00 61.43 H new ATOM 0 HG21 ILE A 95 -3.425 20.755 4.772 1.00 42.33 H new ATOM 0 HG22 ILE A 95 -3.009 20.681 6.501 1.00 42.33 H new ATOM 0 HG23 ILE A 95 -1.719 20.732 5.276 1.00 42.33 H new ATOM 0 HD11 ILE A 95 -3.004 18.512 1.925 1.00 1.24 H new ATOM 0 HD12 ILE A 95 -4.335 18.680 3.094 1.00 1.24 H new ATOM 0 HD13 ILE A 95 -3.159 20.000 2.888 1.00 1.24 H new ATOM 1551 N ASP A 96 -3.074 18.402 8.504 1.00 65.31 N ATOM 1552 CA ASP A 96 -3.551 19.010 9.763 1.00 10.52 C ATOM 1553 C ASP A 96 -4.307 17.938 10.597 1.00 42.14 C ATOM 1554 O ASP A 96 -4.555 16.828 10.109 1.00 33.42 O ATOM 1555 CB ASP A 96 -4.465 20.218 9.392 1.00 34.22 C ATOM 1556 CG ASP A 96 -4.901 21.069 10.592 1.00 34.23 C ATOM 1557 OD1 ASP A 96 -4.127 21.942 11.023 1.00 32.52 O ATOM 1558 OD2 ASP A 96 -6.014 20.859 11.115 1.00 41.14 O ATOM 0 H ASP A 96 -3.681 17.661 8.154 1.00 65.31 H new ATOM 0 HA ASP A 96 -2.724 19.371 10.374 1.00 10.52 H new ATOM 0 HB2 ASP A 96 -3.936 20.855 8.682 1.00 34.22 H new ATOM 0 HB3 ASP A 96 -5.354 19.844 8.884 1.00 34.22 H new ATOM 1563 N GLN A 97 -4.659 18.273 11.853 1.00 64.41 N ATOM 1564 CA GLN A 97 -5.479 17.395 12.725 1.00 30.54 C ATOM 1565 C GLN A 97 -6.880 17.121 12.104 1.00 4.02 C ATOM 1566 O GLN A 97 -7.468 16.068 12.328 1.00 43.31 O ATOM 1567 CB GLN A 97 -5.616 18.024 14.143 1.00 44.21 C ATOM 1568 CG GLN A 97 -6.324 17.139 15.212 1.00 12.44 C ATOM 1569 CD GLN A 97 -5.548 15.860 15.611 1.00 72.21 C ATOM 1570 OE1 GLN A 97 -4.839 15.254 14.818 1.00 5.24 O ATOM 1571 NE2 GLN A 97 -5.666 15.447 16.858 1.00 53.23 N ATOM 0 H GLN A 97 -4.388 19.152 12.294 1.00 64.41 H new ATOM 0 HA GLN A 97 -4.969 16.436 12.814 1.00 30.54 H new ATOM 0 HB2 GLN A 97 -4.619 18.273 14.507 1.00 44.21 H new ATOM 0 HB3 GLN A 97 -6.166 18.961 14.053 1.00 44.21 H new ATOM 0 HG2 GLN A 97 -6.493 17.739 16.106 1.00 12.44 H new ATOM 0 HG3 GLN A 97 -7.304 16.849 14.833 1.00 12.44 H new ATOM 0 HE21 GLN A 97 -6.259 15.959 17.511 1.00 53.23 H new ATOM 0 HE22 GLN A 97 -5.164 14.616 17.170 1.00 53.23 H new ATOM 1580 N ALA A 98 -7.383 18.081 11.306 1.00 5.53 N ATOM 1581 CA ALA A 98 -8.642 17.936 10.538 1.00 2.34 C ATOM 1582 C ALA A 98 -8.506 16.853 9.437 1.00 32.54 C ATOM 1583 O ALA A 98 -9.413 16.041 9.247 1.00 52.44 O ATOM 1584 CB ALA A 98 -9.045 19.286 9.929 1.00 22.20 C ATOM 0 H ALA A 98 -6.929 18.984 11.173 1.00 5.53 H new ATOM 0 HA ALA A 98 -9.426 17.612 11.222 1.00 2.34 H new ATOM 0 HB1 ALA A 98 -9.971 19.169 9.366 1.00 22.20 H new ATOM 0 HB2 ALA A 98 -9.194 20.015 10.726 1.00 22.20 H new ATOM 0 HB3 ALA A 98 -8.257 19.634 9.262 1.00 22.20 H new ATOM 1590 N GLU A 99 -7.358 16.875 8.725 1.00 10.30 N ATOM 1591 CA GLU A 99 -6.981 15.852 7.706 1.00 43.42 C ATOM 1592 C GLU A 99 -6.919 14.427 8.321 1.00 4.43 C ATOM 1593 O GLU A 99 -7.406 13.451 7.730 1.00 13.41 O ATOM 1594 CB GLU A 99 -5.603 16.235 7.089 1.00 70.03 C ATOM 1595 CG GLU A 99 -5.071 15.298 5.979 1.00 71.55 C ATOM 1596 CD GLU A 99 -5.920 15.327 4.700 1.00 60.24 C ATOM 1597 OE1 GLU A 99 -5.997 16.396 4.056 1.00 73.31 O ATOM 1598 OE2 GLU A 99 -6.502 14.290 4.325 1.00 13.53 O ATOM 0 H GLU A 99 -6.656 17.607 8.837 1.00 10.30 H new ATOM 0 HA GLU A 99 -7.746 15.836 6.929 1.00 43.42 H new ATOM 0 HB2 GLU A 99 -5.678 17.243 6.681 1.00 70.03 H new ATOM 0 HB3 GLU A 99 -4.866 16.270 7.891 1.00 70.03 H new ATOM 0 HG2 GLU A 99 -4.048 15.582 5.734 1.00 71.55 H new ATOM 0 HG3 GLU A 99 -5.036 14.278 6.361 1.00 71.55 H new ATOM 1605 N ILE A 100 -6.311 14.342 9.519 1.00 1.33 N ATOM 1606 CA ILE A 100 -6.209 13.096 10.303 1.00 34.43 C ATOM 1607 C ILE A 100 -7.607 12.573 10.709 1.00 72.53 C ATOM 1608 O ILE A 100 -7.942 11.420 10.461 1.00 70.35 O ATOM 1609 CB ILE A 100 -5.329 13.326 11.586 1.00 3.11 C ATOM 1610 CG1 ILE A 100 -3.883 13.748 11.184 1.00 65.41 C ATOM 1611 CG2 ILE A 100 -5.312 12.074 12.495 1.00 52.21 C ATOM 1612 CD1 ILE A 100 -2.952 14.047 12.347 1.00 20.13 C ATOM 0 H ILE A 100 -5.873 15.143 9.974 1.00 1.33 H new ATOM 0 HA ILE A 100 -5.733 12.345 9.673 1.00 34.43 H new ATOM 0 HB ILE A 100 -5.777 14.136 12.161 1.00 3.11 H new ATOM 0 HG12 ILE A 100 -3.443 12.953 10.582 1.00 65.41 H new ATOM 0 HG13 ILE A 100 -3.942 14.632 10.550 1.00 65.41 H new ATOM 0 HG21 ILE A 100 -4.694 12.269 13.372 1.00 52.21 H new ATOM 0 HG22 ILE A 100 -6.328 11.841 12.812 1.00 52.21 H new ATOM 0 HG23 ILE A 100 -4.901 11.229 11.943 1.00 52.21 H new ATOM 0 HD11 ILE A 100 -1.972 14.331 11.965 1.00 20.13 H new ATOM 0 HD12 ILE A 100 -3.361 14.865 12.940 1.00 20.13 H new ATOM 0 HD13 ILE A 100 -2.854 13.160 12.972 1.00 20.13 H new ATOM 1624 N ARG A 101 -8.424 13.464 11.291 1.00 20.14 N ATOM 1625 CA ARG A 101 -9.787 13.127 11.774 1.00 70.15 C ATOM 1626 C ARG A 101 -10.725 12.725 10.606 1.00 34.14 C ATOM 1627 O ARG A 101 -11.653 11.935 10.798 1.00 13.41 O ATOM 1628 CB ARG A 101 -10.375 14.294 12.607 1.00 45.21 C ATOM 1629 CG ARG A 101 -9.660 14.506 13.962 1.00 52.21 C ATOM 1630 CD ARG A 101 -10.230 15.685 14.760 1.00 54.31 C ATOM 1631 NE ARG A 101 -10.064 16.976 14.060 1.00 32.24 N ATOM 1632 CZ ARG A 101 -10.802 18.053 14.270 1.00 21.11 C ATOM 1633 NH1 ARG A 101 -11.789 18.036 15.110 1.00 40.52 N ATOM 1634 NH2 ARG A 101 -10.547 19.146 13.637 1.00 74.34 N ATOM 0 H ARG A 101 -8.166 14.439 11.443 1.00 20.14 H new ATOM 0 HA ARG A 101 -9.707 12.257 12.426 1.00 70.15 H new ATOM 0 HB2 ARG A 101 -10.313 15.213 12.025 1.00 45.21 H new ATOM 0 HB3 ARG A 101 -11.433 14.103 12.789 1.00 45.21 H new ATOM 0 HG2 ARG A 101 -9.744 13.597 14.557 1.00 52.21 H new ATOM 0 HG3 ARG A 101 -8.598 14.674 13.784 1.00 52.21 H new ATOM 0 HD2 ARG A 101 -11.289 15.512 14.950 1.00 54.31 H new ATOM 0 HD3 ARG A 101 -9.736 15.735 15.730 1.00 54.31 H new ATOM 0 HE ARG A 101 -9.324 17.041 13.361 1.00 32.24 H new ATOM 0 HH11 ARG A 101 -12.008 17.182 15.623 1.00 40.52 H new ATOM 0 HH12 ARG A 101 -12.347 18.877 15.258 1.00 40.52 H new ATOM 0 HH21 ARG A 101 -9.774 19.182 12.972 1.00 74.34 H new ATOM 0 HH22 ARG A 101 -11.118 19.975 13.801 1.00 74.34 H new ATOM 1648 N LYS A 102 -10.466 13.288 9.408 1.00 21.21 N ATOM 1649 CA LYS A 102 -11.159 12.909 8.154 1.00 33.13 C ATOM 1650 C LYS A 102 -10.885 11.420 7.813 1.00 64.34 C ATOM 1651 O LYS A 102 -11.815 10.664 7.513 1.00 72.51 O ATOM 1652 CB LYS A 102 -10.694 13.859 7.003 1.00 5.05 C ATOM 1653 CG LYS A 102 -11.452 13.749 5.643 1.00 20.12 C ATOM 1654 CD LYS A 102 -10.974 12.602 4.716 1.00 33.10 C ATOM 1655 CE LYS A 102 -9.503 12.751 4.292 1.00 25.42 C ATOM 1656 NZ LYS A 102 -9.243 14.047 3.601 1.00 14.12 N ATOM 0 H LYS A 102 -9.768 14.021 9.280 1.00 21.21 H new ATOM 0 HA LYS A 102 -12.236 13.019 8.280 1.00 33.13 H new ATOM 0 HB2 LYS A 102 -10.780 14.887 7.356 1.00 5.05 H new ATOM 0 HB3 LYS A 102 -9.636 13.673 6.817 1.00 5.05 H new ATOM 0 HG2 LYS A 102 -12.514 13.612 5.847 1.00 20.12 H new ATOM 0 HG3 LYS A 102 -11.349 14.694 5.109 1.00 20.12 H new ATOM 0 HD2 LYS A 102 -11.105 11.649 5.228 1.00 33.10 H new ATOM 0 HD3 LYS A 102 -11.603 12.575 3.826 1.00 33.10 H new ATOM 0 HE2 LYS A 102 -8.864 12.676 5.172 1.00 25.42 H new ATOM 0 HE3 LYS A 102 -9.232 11.928 3.630 1.00 25.42 H new ATOM 0 HZ1 LYS A 102 -8.230 14.125 3.379 1.00 14.12 H new ATOM 0 HZ2 LYS A 102 -9.794 14.087 2.720 1.00 14.12 H new ATOM 0 HZ3 LYS A 102 -9.523 14.833 4.221 1.00 14.12 H new ATOM 1670 N TYR A 103 -9.592 11.023 7.832 1.00 1.54 N ATOM 1671 CA TYR A 103 -9.179 9.612 7.631 1.00 71.33 C ATOM 1672 C TYR A 103 -9.722 8.690 8.753 1.00 12.30 C ATOM 1673 O TYR A 103 -10.182 7.591 8.472 1.00 34.24 O ATOM 1674 CB TYR A 103 -7.633 9.486 7.528 1.00 32.31 C ATOM 1675 CG TYR A 103 -7.032 9.891 6.169 1.00 44.34 C ATOM 1676 CD1 TYR A 103 -7.457 9.269 4.989 1.00 41.22 C ATOM 1677 CD2 TYR A 103 -6.027 10.860 6.066 1.00 33.10 C ATOM 1678 CE1 TYR A 103 -6.909 9.601 3.767 1.00 72.23 C ATOM 1679 CE2 TYR A 103 -5.471 11.186 4.845 1.00 5.12 C ATOM 1680 CZ TYR A 103 -5.917 10.556 3.697 1.00 51.10 C ATOM 1681 OH TYR A 103 -5.354 10.864 2.474 1.00 32.14 O ATOM 0 H TYR A 103 -8.812 11.662 7.985 1.00 1.54 H new ATOM 0 HA TYR A 103 -9.615 9.284 6.687 1.00 71.33 H new ATOM 0 HB2 TYR A 103 -7.182 10.103 8.305 1.00 32.31 H new ATOM 0 HB3 TYR A 103 -7.354 8.453 7.738 1.00 32.31 H new ATOM 0 HD1 TYR A 103 -8.229 8.515 5.036 1.00 41.22 H new ATOM 0 HD2 TYR A 103 -5.680 11.362 6.957 1.00 33.10 H new ATOM 0 HE1 TYR A 103 -7.256 9.114 2.868 1.00 72.23 H new ATOM 0 HE2 TYR A 103 -4.691 11.930 4.786 1.00 5.12 H new ATOM 0 HH TYR A 103 -4.671 11.556 2.593 1.00 32.14 H new ATOM 1691 N ASN A 104 -9.689 9.169 10.012 1.00 34.21 N ATOM 1692 CA ASN A 104 -10.199 8.415 11.189 1.00 40.12 C ATOM 1693 C ASN A 104 -11.718 8.135 11.053 1.00 31.52 C ATOM 1694 O ASN A 104 -12.206 7.073 11.457 1.00 23.10 O ATOM 1695 CB ASN A 104 -9.890 9.208 12.493 1.00 40.20 C ATOM 1696 CG ASN A 104 -10.336 8.502 13.782 1.00 33.15 C ATOM 1697 OD1 ASN A 104 -10.391 7.280 13.859 1.00 24.20 O ATOM 1698 ND2 ASN A 104 -10.646 9.266 14.809 1.00 14.21 N ATOM 0 H ASN A 104 -9.310 10.086 10.248 1.00 34.21 H new ATOM 0 HA ASN A 104 -9.693 7.451 11.237 1.00 40.12 H new ATOM 0 HB2 ASN A 104 -8.817 9.393 12.546 1.00 40.20 H new ATOM 0 HB3 ASN A 104 -10.379 10.181 12.437 1.00 40.20 H new ATOM 0 HD21 ASN A 104 -10.939 8.843 15.690 1.00 14.21 H new ATOM 0 HD22 ASN A 104 -10.593 10.281 14.724 1.00 14.21 H new ATOM 1705 N GLN A 105 -12.438 9.101 10.449 1.00 40.14 N ATOM 1706 CA GLN A 105 -13.867 8.967 10.109 1.00 51.31 C ATOM 1707 C GLN A 105 -14.094 7.851 9.058 1.00 14.14 C ATOM 1708 O GLN A 105 -15.087 7.127 9.130 1.00 4.13 O ATOM 1709 CB GLN A 105 -14.408 10.330 9.589 1.00 11.11 C ATOM 1710 CG GLN A 105 -15.913 10.350 9.229 1.00 21.44 C ATOM 1711 CD GLN A 105 -16.853 10.080 10.418 1.00 33.10 C ATOM 1712 OE1 GLN A 105 -16.555 10.402 11.566 1.00 24.12 O ATOM 1713 NE2 GLN A 105 -18.006 9.497 10.148 1.00 40.45 N ATOM 0 H GLN A 105 -12.041 10.002 10.182 1.00 40.14 H new ATOM 0 HA GLN A 105 -14.413 8.683 11.009 1.00 51.31 H new ATOM 0 HB2 GLN A 105 -14.223 11.089 10.349 1.00 11.11 H new ATOM 0 HB3 GLN A 105 -13.836 10.616 8.706 1.00 11.11 H new ATOM 0 HG2 GLN A 105 -16.159 11.321 8.800 1.00 21.44 H new ATOM 0 HG3 GLN A 105 -16.100 9.604 8.457 1.00 21.44 H new ATOM 0 HE21 GLN A 105 -18.234 9.238 9.188 1.00 40.45 H new ATOM 0 HE22 GLN A 105 -18.669 9.306 10.899 1.00 40.45 H new ATOM 1722 N ILE A 106 -13.150 7.712 8.101 1.00 64.15 N ATOM 1723 CA ILE A 106 -13.192 6.666 7.055 1.00 44.11 C ATOM 1724 C ILE A 106 -12.984 5.256 7.670 1.00 50.01 C ATOM 1725 O ILE A 106 -13.676 4.309 7.296 1.00 21.34 O ATOM 1726 CB ILE A 106 -12.101 6.943 5.946 1.00 43.11 C ATOM 1727 CG1 ILE A 106 -12.362 8.311 5.234 1.00 41.51 C ATOM 1728 CG2 ILE A 106 -12.033 5.794 4.917 1.00 70.23 C ATOM 1729 CD1 ILE A 106 -11.307 8.708 4.207 1.00 42.13 C ATOM 0 H ILE A 106 -12.336 8.323 8.032 1.00 64.15 H new ATOM 0 HA ILE A 106 -14.178 6.696 6.591 1.00 44.11 H new ATOM 0 HB ILE A 106 -11.134 6.996 6.445 1.00 43.11 H new ATOM 0 HG12 ILE A 106 -13.332 8.268 4.739 1.00 41.51 H new ATOM 0 HG13 ILE A 106 -12.424 9.093 5.991 1.00 41.51 H new ATOM 0 HG21 ILE A 106 -11.272 6.019 4.170 1.00 70.23 H new ATOM 0 HG22 ILE A 106 -11.778 4.864 5.426 1.00 70.23 H new ATOM 0 HG23 ILE A 106 -13.001 5.686 4.428 1.00 70.23 H new ATOM 0 HD11 ILE A 106 -11.572 9.669 3.766 1.00 42.13 H new ATOM 0 HD12 ILE A 106 -10.336 8.788 4.695 1.00 42.13 H new ATOM 0 HD13 ILE A 106 -11.258 7.951 3.424 1.00 42.13 H new ATOM 1741 N LEU A 107 -12.016 5.140 8.611 1.00 63.32 N ATOM 1742 CA LEU A 107 -11.760 3.882 9.367 1.00 42.21 C ATOM 1743 C LEU A 107 -12.973 3.487 10.249 1.00 4.52 C ATOM 1744 O LEU A 107 -13.264 2.298 10.421 1.00 24.32 O ATOM 1745 CB LEU A 107 -10.472 3.988 10.251 1.00 1.30 C ATOM 1746 CG LEU A 107 -9.101 3.775 9.521 1.00 75.12 C ATOM 1747 CD1 LEU A 107 -8.744 4.952 8.612 1.00 21.20 C ATOM 1748 CD2 LEU A 107 -7.973 3.486 10.529 1.00 55.41 C ATOM 0 H LEU A 107 -11.394 5.906 8.868 1.00 63.32 H new ATOM 0 HA LEU A 107 -11.604 3.101 8.623 1.00 42.21 H new ATOM 0 HB2 LEU A 107 -10.460 4.972 10.719 1.00 1.30 H new ATOM 0 HB3 LEU A 107 -10.548 3.255 11.054 1.00 1.30 H new ATOM 0 HG LEU A 107 -9.212 2.900 8.880 1.00 75.12 H new ATOM 0 HD11 LEU A 107 -7.787 4.760 8.127 1.00 21.20 H new ATOM 0 HD12 LEU A 107 -9.517 5.073 7.853 1.00 21.20 H new ATOM 0 HD13 LEU A 107 -8.674 5.863 9.207 1.00 21.20 H new ATOM 0 HD21 LEU A 107 -7.034 3.343 9.994 1.00 55.41 H new ATOM 0 HD22 LEU A 107 -7.874 4.327 11.216 1.00 55.41 H new ATOM 0 HD23 LEU A 107 -8.211 2.584 11.092 1.00 55.41 H new ATOM 1760 N ALA A 108 -13.649 4.504 10.813 1.00 12.44 N ATOM 1761 CA ALA A 108 -14.845 4.311 11.655 1.00 23.21 C ATOM 1762 C ALA A 108 -16.046 3.799 10.825 1.00 50.24 C ATOM 1763 O ALA A 108 -16.782 2.904 11.261 1.00 53.30 O ATOM 1764 CB ALA A 108 -15.196 5.633 12.366 1.00 34.33 C ATOM 0 H ALA A 108 -13.383 5.482 10.699 1.00 12.44 H new ATOM 0 HA ALA A 108 -14.621 3.550 12.403 1.00 23.21 H new ATOM 0 HB1 ALA A 108 -16.080 5.488 12.987 1.00 34.33 H new ATOM 0 HB2 ALA A 108 -14.359 5.943 12.992 1.00 34.33 H new ATOM 0 HB3 ALA A 108 -15.398 6.404 11.622 1.00 34.33 H new ATOM 1770 N THR A 109 -16.259 4.415 9.649 1.00 43.31 N ATOM 1771 CA THR A 109 -17.367 4.069 8.733 1.00 43.14 C ATOM 1772 C THR A 109 -17.099 2.778 7.912 1.00 74.15 C ATOM 1773 O THR A 109 -17.736 1.750 8.151 1.00 21.34 O ATOM 1774 CB THR A 109 -17.683 5.265 7.776 1.00 65.23 C ATOM 1775 OG1 THR A 109 -16.481 5.679 7.102 1.00 1.22 O ATOM 1776 CG2 THR A 109 -18.288 6.459 8.535 1.00 43.22 C ATOM 0 H THR A 109 -15.667 5.170 9.303 1.00 43.31 H new ATOM 0 HA THR A 109 -18.235 3.867 9.361 1.00 43.14 H new ATOM 0 HB THR A 109 -18.419 4.923 7.048 1.00 65.23 H new ATOM 0 HG1 THR A 109 -15.966 6.273 7.687 1.00 1.22 H new ATOM 0 HG21 THR A 109 -18.493 7.269 7.835 1.00 43.22 H new ATOM 0 HG22 THR A 109 -19.216 6.152 9.016 1.00 43.22 H new ATOM 0 HG23 THR A 109 -17.584 6.804 9.292 1.00 43.22 H new ATOM 1784 N GLN A 110 -16.145 2.822 6.958 1.00 22.53 N ATOM 1785 CA GLN A 110 -15.871 1.673 6.043 1.00 24.13 C ATOM 1786 C GLN A 110 -14.746 0.759 6.591 1.00 4.32 C ATOM 1787 O GLN A 110 -14.878 -0.473 6.580 1.00 20.02 O ATOM 1788 CB GLN A 110 -15.494 2.140 4.608 1.00 13.41 C ATOM 1789 CG GLN A 110 -16.558 2.990 3.862 1.00 21.13 C ATOM 1790 CD GLN A 110 -16.578 4.477 4.238 1.00 73.22 C ATOM 1791 OE1 GLN A 110 -15.427 5.055 4.547 1.00 72.52 O flip ATOM 1792 NE2 GLN A 110 -17.621 5.120 4.214 1.00 24.04 N flip ATOM 0 H GLN A 110 -15.549 3.634 6.795 1.00 22.53 H new ATOM 0 HA GLN A 110 -16.800 1.106 5.992 1.00 24.13 H new ATOM 0 HB2 GLN A 110 -14.573 2.719 4.667 1.00 13.41 H new ATOM 0 HB3 GLN A 110 -15.277 1.257 4.006 1.00 13.41 H new ATOM 0 HG2 GLN A 110 -16.383 2.904 2.790 1.00 21.13 H new ATOM 0 HG3 GLN A 110 -17.543 2.567 4.060 1.00 21.13 H new ATOM 0 HE21 GLN A 110 -18.499 4.659 3.974 1.00 24.04 H new ATOM 0 HE22 GLN A 110 -17.611 6.116 4.434 1.00 24.04 H new ATOM 1801 N GLY A 111 -13.624 1.364 7.040 1.00 25.11 N ATOM 1802 CA GLY A 111 -12.457 0.612 7.534 1.00 62.25 C ATOM 1803 C GLY A 111 -11.168 0.896 6.752 1.00 34.44 C ATOM 1804 O GLY A 111 -11.049 1.924 6.068 1.00 33.33 O ATOM 0 H GLY A 111 -13.505 2.377 7.069 1.00 25.11 H new ATOM 0 HA2 GLY A 111 -12.296 0.856 8.584 1.00 62.25 H new ATOM 0 HA3 GLY A 111 -12.675 -0.455 7.484 1.00 62.25 H new ATOM 1808 N ILE A 112 -10.205 -0.041 6.863 1.00 63.00 N ATOM 1809 CA ILE A 112 -8.861 0.076 6.245 1.00 74.03 C ATOM 1810 C ILE A 112 -8.907 0.143 4.689 1.00 22.21 C ATOM 1811 O ILE A 112 -8.139 0.893 4.089 1.00 55.52 O ATOM 1812 CB ILE A 112 -7.933 -1.117 6.694 1.00 54.55 C ATOM 1813 CG1 ILE A 112 -6.473 -0.976 6.120 1.00 34.52 C ATOM 1814 CG2 ILE A 112 -8.552 -2.495 6.318 1.00 73.23 C ATOM 1815 CD1 ILE A 112 -5.663 0.188 6.674 1.00 54.03 C ATOM 0 H ILE A 112 -10.335 -0.907 7.386 1.00 63.00 H new ATOM 0 HA ILE A 112 -8.448 1.020 6.599 1.00 74.03 H new ATOM 0 HB ILE A 112 -7.861 -1.069 7.781 1.00 54.55 H new ATOM 0 HG12 ILE A 112 -5.932 -1.901 6.319 1.00 34.52 H new ATOM 0 HG13 ILE A 112 -6.535 -0.870 5.037 1.00 34.52 H new ATOM 0 HG21 ILE A 112 -7.885 -3.294 6.643 1.00 73.23 H new ATOM 0 HG22 ILE A 112 -9.518 -2.606 6.810 1.00 73.23 H new ATOM 0 HG23 ILE A 112 -8.686 -2.551 5.238 1.00 73.23 H new ATOM 0 HD11 ILE A 112 -4.675 0.195 6.214 1.00 54.03 H new ATOM 0 HD12 ILE A 112 -6.173 1.125 6.451 1.00 54.03 H new ATOM 0 HD13 ILE A 112 -5.560 0.079 7.754 1.00 54.03 H new ATOM 1827 N ARG A 113 -9.821 -0.629 4.060 1.00 2.45 N ATOM 1828 CA ARG A 113 -9.924 -0.731 2.582 1.00 53.23 C ATOM 1829 C ARG A 113 -10.149 0.655 1.926 1.00 43.54 C ATOM 1830 O ARG A 113 -9.516 0.997 0.923 1.00 71.31 O ATOM 1831 CB ARG A 113 -11.096 -1.667 2.187 1.00 53.33 C ATOM 1832 CG ARG A 113 -11.028 -3.109 2.735 1.00 32.45 C ATOM 1833 CD ARG A 113 -12.183 -3.982 2.195 1.00 43.03 C ATOM 1834 NE ARG A 113 -12.203 -5.320 2.804 1.00 63.32 N ATOM 1835 CZ ARG A 113 -12.726 -6.408 2.268 1.00 51.05 C ATOM 1836 NH1 ARG A 113 -13.251 -6.399 1.080 1.00 42.35 N ATOM 1837 NH2 ARG A 113 -12.710 -7.512 2.936 1.00 33.14 N ATOM 0 H ARG A 113 -10.506 -1.198 4.557 1.00 2.45 H new ATOM 0 HA ARG A 113 -8.980 -1.139 2.222 1.00 53.23 H new ATOM 0 HB2 ARG A 113 -12.027 -1.214 2.528 1.00 53.33 H new ATOM 0 HB3 ARG A 113 -11.145 -1.715 1.099 1.00 53.33 H new ATOM 0 HG2 ARG A 113 -10.074 -3.558 2.460 1.00 32.45 H new ATOM 0 HG3 ARG A 113 -11.068 -3.086 3.824 1.00 32.45 H new ATOM 0 HD2 ARG A 113 -13.133 -3.483 2.388 1.00 43.03 H new ATOM 0 HD3 ARG A 113 -12.087 -4.079 1.114 1.00 43.03 H new ATOM 0 HE ARG A 113 -11.774 -5.417 3.724 1.00 63.32 H new ATOM 0 HH11 ARG A 113 -13.267 -5.536 0.536 1.00 42.35 H new ATOM 0 HH12 ARG A 113 -13.648 -7.255 0.691 1.00 42.35 H new ATOM 0 HH21 ARG A 113 -12.296 -7.538 3.868 1.00 33.14 H new ATOM 0 HH22 ARG A 113 -13.111 -8.358 2.532 1.00 33.14 H new ATOM 1851 N ALA A 114 -11.025 1.451 2.556 1.00 12.21 N ATOM 1852 CA ALA A 114 -11.425 2.771 2.035 1.00 75.45 C ATOM 1853 C ALA A 114 -10.346 3.832 2.337 1.00 33.54 C ATOM 1854 O ALA A 114 -10.216 4.814 1.609 1.00 31.24 O ATOM 1855 CB ALA A 114 -12.778 3.176 2.610 1.00 55.12 C ATOM 0 H ALA A 114 -11.475 1.202 3.437 1.00 12.21 H new ATOM 0 HA ALA A 114 -11.522 2.703 0.951 1.00 75.45 H new ATOM 0 HB1 ALA A 114 -13.062 4.152 2.218 1.00 55.12 H new ATOM 0 HB2 ALA A 114 -13.529 2.438 2.327 1.00 55.12 H new ATOM 0 HB3 ALA A 114 -12.711 3.227 3.697 1.00 55.12 H new ATOM 1861 N PHE A 115 -9.594 3.614 3.436 1.00 11.22 N ATOM 1862 CA PHE A 115 -8.441 4.448 3.827 1.00 41.54 C ATOM 1863 C PHE A 115 -7.296 4.328 2.793 1.00 32.15 C ATOM 1864 O PHE A 115 -6.744 5.340 2.348 1.00 50.10 O ATOM 1865 CB PHE A 115 -7.974 4.008 5.241 1.00 4.23 C ATOM 1866 CG PHE A 115 -6.611 4.546 5.697 1.00 51.43 C ATOM 1867 CD1 PHE A 115 -6.428 5.896 5.987 1.00 62.44 C ATOM 1868 CD2 PHE A 115 -5.524 3.686 5.847 1.00 53.44 C ATOM 1869 CE1 PHE A 115 -5.200 6.366 6.408 1.00 25.35 C ATOM 1870 CE2 PHE A 115 -4.302 4.150 6.266 1.00 72.42 C ATOM 1871 CZ PHE A 115 -4.136 5.491 6.549 1.00 41.21 C ATOM 0 H PHE A 115 -9.773 2.846 4.083 1.00 11.22 H new ATOM 0 HA PHE A 115 -8.735 5.497 3.853 1.00 41.54 H new ATOM 0 HB2 PHE A 115 -8.727 4.322 5.964 1.00 4.23 H new ATOM 0 HB3 PHE A 115 -7.940 2.919 5.268 1.00 4.23 H new ATOM 0 HD1 PHE A 115 -7.255 6.582 5.881 1.00 62.44 H new ATOM 0 HD2 PHE A 115 -5.646 2.635 5.629 1.00 53.44 H new ATOM 0 HE1 PHE A 115 -5.069 7.415 6.627 1.00 25.35 H new ATOM 0 HE2 PHE A 115 -3.472 3.467 6.374 1.00 72.42 H new ATOM 0 HZ PHE A 115 -3.176 5.858 6.881 1.00 41.21 H new ATOM 1881 N ILE A 116 -6.952 3.075 2.431 1.00 23.43 N ATOM 1882 CA ILE A 116 -5.911 2.779 1.423 1.00 72.33 C ATOM 1883 C ILE A 116 -6.320 3.345 0.049 1.00 42.14 C ATOM 1884 O ILE A 116 -5.560 4.089 -0.566 1.00 11.12 O ATOM 1885 CB ILE A 116 -5.631 1.230 1.319 1.00 40.20 C ATOM 1886 CG1 ILE A 116 -5.170 0.661 2.698 1.00 13.11 C ATOM 1887 CG2 ILE A 116 -4.605 0.895 0.202 1.00 74.11 C ATOM 1888 CD1 ILE A 116 -3.911 1.291 3.281 1.00 52.32 C ATOM 0 H ILE A 116 -7.386 2.241 2.827 1.00 23.43 H new ATOM 0 HA ILE A 116 -4.988 3.262 1.744 1.00 72.33 H new ATOM 0 HB ILE A 116 -6.568 0.746 1.042 1.00 40.20 H new ATOM 0 HG12 ILE A 116 -5.983 0.787 3.413 1.00 13.11 H new ATOM 0 HG13 ILE A 116 -5.003 -0.411 2.591 1.00 13.11 H new ATOM 0 HG21 ILE A 116 -4.444 -0.182 0.167 1.00 74.11 H new ATOM 0 HG22 ILE A 116 -4.990 1.235 -0.759 1.00 74.11 H new ATOM 0 HG23 ILE A 116 -3.661 1.397 0.413 1.00 74.11 H new ATOM 0 HD11 ILE A 116 -3.680 0.823 4.238 1.00 52.32 H new ATOM 0 HD12 ILE A 116 -3.078 1.142 2.594 1.00 52.32 H new ATOM 0 HD13 ILE A 116 -4.073 2.359 3.429 1.00 52.32 H new ATOM 1900 N ASN A 117 -7.526 2.956 -0.419 1.00 73.04 N ATOM 1901 CA ASN A 117 -8.191 3.551 -1.610 1.00 54.14 C ATOM 1902 C ASN A 117 -8.138 5.111 -1.624 1.00 33.32 C ATOM 1903 O ASN A 117 -7.884 5.708 -2.666 1.00 73.24 O ATOM 1904 CB ASN A 117 -9.661 3.057 -1.679 1.00 54.11 C ATOM 1905 CG ASN A 117 -10.425 3.567 -2.907 1.00 32.24 C ATOM 1906 OD1 ASN A 117 -10.409 2.950 -3.966 1.00 41.21 O ATOM 1907 ND2 ASN A 117 -11.104 4.692 -2.778 1.00 24.52 N ATOM 0 H ASN A 117 -8.073 2.215 0.019 1.00 73.04 H new ATOM 0 HA ASN A 117 -7.641 3.219 -2.491 1.00 54.14 H new ATOM 0 HB2 ASN A 117 -9.669 1.967 -1.684 1.00 54.11 H new ATOM 0 HB3 ASN A 117 -10.185 3.376 -0.778 1.00 54.11 H new ATOM 0 HD21 ASN A 117 -11.629 5.064 -3.569 1.00 24.52 H new ATOM 0 HD22 ASN A 117 -11.103 5.189 -1.887 1.00 24.52 H new ATOM 1914 N ALA A 118 -8.366 5.754 -0.462 1.00 0.14 N ATOM 1915 CA ALA A 118 -8.296 7.232 -0.334 1.00 43.43 C ATOM 1916 C ALA A 118 -6.862 7.768 -0.593 1.00 61.23 C ATOM 1917 O ALA A 118 -6.693 8.810 -1.226 1.00 24.42 O ATOM 1918 CB ALA A 118 -8.802 7.670 1.050 1.00 31.15 C ATOM 0 H ALA A 118 -8.601 5.275 0.407 1.00 0.14 H new ATOM 0 HA ALA A 118 -8.942 7.663 -1.098 1.00 43.43 H new ATOM 0 HB1 ALA A 118 -8.746 8.756 1.131 1.00 31.15 H new ATOM 0 HB2 ALA A 118 -9.836 7.350 1.177 1.00 31.15 H new ATOM 0 HB3 ALA A 118 -8.184 7.216 1.824 1.00 31.15 H new ATOM 1924 N LEU A 119 -5.847 7.037 -0.093 1.00 61.14 N ATOM 1925 CA LEU A 119 -4.417 7.373 -0.298 1.00 1.24 C ATOM 1926 C LEU A 119 -3.976 7.181 -1.778 1.00 54.05 C ATOM 1927 O LEU A 119 -3.248 8.010 -2.324 1.00 45.04 O ATOM 1928 CB LEU A 119 -3.534 6.495 0.637 1.00 10.33 C ATOM 1929 CG LEU A 119 -3.752 6.663 2.177 1.00 24.22 C ATOM 1930 CD1 LEU A 119 -2.985 5.581 2.967 1.00 31.43 C ATOM 1931 CD2 LEU A 119 -3.373 8.085 2.650 1.00 5.02 C ATOM 0 H LEU A 119 -5.991 6.196 0.465 1.00 61.14 H new ATOM 0 HA LEU A 119 -4.286 8.427 -0.053 1.00 1.24 H new ATOM 0 HB2 LEU A 119 -3.705 5.449 0.382 1.00 10.33 H new ATOM 0 HB3 LEU A 119 -2.488 6.710 0.417 1.00 10.33 H new ATOM 0 HG LEU A 119 -4.815 6.528 2.378 1.00 24.22 H new ATOM 0 HD11 LEU A 119 -3.154 5.721 4.035 1.00 31.43 H new ATOM 0 HD12 LEU A 119 -3.339 4.594 2.670 1.00 31.43 H new ATOM 0 HD13 LEU A 119 -1.919 5.663 2.755 1.00 31.43 H new ATOM 0 HD21 LEU A 119 -3.537 8.167 3.725 1.00 5.02 H new ATOM 0 HD22 LEU A 119 -2.323 8.275 2.427 1.00 5.02 H new ATOM 0 HD23 LEU A 119 -3.992 8.818 2.132 1.00 5.02 H new ATOM 1943 N VAL A 120 -4.428 6.087 -2.421 1.00 61.44 N ATOM 1944 CA VAL A 120 -4.004 5.731 -3.800 1.00 31.10 C ATOM 1945 C VAL A 120 -4.708 6.619 -4.865 1.00 12.12 C ATOM 1946 O VAL A 120 -4.060 7.152 -5.776 1.00 21.11 O ATOM 1947 CB VAL A 120 -4.279 4.210 -4.108 1.00 1.15 C ATOM 1948 CG1 VAL A 120 -3.766 3.819 -5.507 1.00 63.34 C ATOM 1949 CG2 VAL A 120 -3.659 3.286 -3.037 1.00 35.32 C ATOM 0 H VAL A 120 -5.090 5.428 -2.010 1.00 61.44 H new ATOM 0 HA VAL A 120 -2.931 5.913 -3.856 1.00 31.10 H new ATOM 0 HB VAL A 120 -5.360 4.076 -4.085 1.00 1.15 H new ATOM 0 HG11 VAL A 120 -3.971 2.764 -5.688 1.00 63.34 H new ATOM 0 HG12 VAL A 120 -4.272 4.422 -6.261 1.00 63.34 H new ATOM 0 HG13 VAL A 120 -2.692 3.994 -5.563 1.00 63.34 H new ATOM 0 HG21 VAL A 120 -3.871 2.246 -3.286 1.00 35.32 H new ATOM 0 HG22 VAL A 120 -2.580 3.439 -3.005 1.00 35.32 H new ATOM 0 HG23 VAL A 120 -4.087 3.520 -2.062 1.00 35.32 H new ATOM 1959 N ASN A 121 -6.041 6.771 -4.742 1.00 31.22 N ATOM 1960 CA ASN A 121 -6.850 7.608 -5.673 1.00 74.00 C ATOM 1961 C ASN A 121 -6.790 9.115 -5.318 1.00 40.35 C ATOM 1962 O ASN A 121 -7.452 9.929 -5.973 1.00 34.52 O ATOM 1963 CB ASN A 121 -8.319 7.119 -5.711 1.00 23.05 C ATOM 1964 CG ASN A 121 -8.449 5.697 -6.259 1.00 10.51 C ATOM 1965 OD1 ASN A 121 -8.550 5.483 -7.466 1.00 14.12 O ATOM 1966 ND2 ASN A 121 -8.458 4.718 -5.384 1.00 55.44 N ATOM 0 H ASN A 121 -6.590 6.326 -4.006 1.00 31.22 H new ATOM 0 HA ASN A 121 -6.411 7.494 -6.664 1.00 74.00 H new ATOM 0 HB2 ASN A 121 -8.737 7.157 -4.705 1.00 23.05 H new ATOM 0 HB3 ASN A 121 -8.909 7.798 -6.327 1.00 23.05 H new ATOM 0 HD21 ASN A 121 -8.550 3.753 -5.700 1.00 55.44 H new ATOM 0 HD22 ASN A 121 -8.373 4.923 -4.388 1.00 55.44 H new ATOM 1973 N SER A 122 -6.004 9.479 -4.279 1.00 51.31 N ATOM 1974 CA SER A 122 -5.657 10.885 -3.988 1.00 44.14 C ATOM 1975 C SER A 122 -4.885 11.493 -5.174 1.00 14.12 C ATOM 1976 O SER A 122 -3.936 10.869 -5.675 1.00 52.30 O ATOM 1977 CB SER A 122 -4.801 10.969 -2.706 1.00 13.32 C ATOM 1978 OG SER A 122 -4.300 12.276 -2.482 1.00 11.30 O ATOM 0 H SER A 122 -5.596 8.811 -3.625 1.00 51.31 H new ATOM 0 HA SER A 122 -6.577 11.449 -3.835 1.00 44.14 H new ATOM 0 HB2 SER A 122 -5.401 10.660 -1.850 1.00 13.32 H new ATOM 0 HB3 SER A 122 -3.968 10.270 -2.781 1.00 13.32 H new ATOM 0 HG SER A 122 -3.766 12.285 -1.660 1.00 11.30 H new ATOM 1984 N GLN A 123 -5.289 12.710 -5.613 1.00 14.25 N ATOM 1985 CA GLN A 123 -4.677 13.374 -6.788 1.00 72.43 C ATOM 1986 C GLN A 123 -3.158 13.588 -6.580 1.00 1.05 C ATOM 1987 O GLN A 123 -2.382 13.437 -7.516 1.00 5.01 O ATOM 1988 CB GLN A 123 -5.373 14.733 -7.105 1.00 54.43 C ATOM 1989 CG GLN A 123 -5.199 15.823 -6.025 1.00 71.51 C ATOM 1990 CD GLN A 123 -5.709 17.195 -6.468 1.00 41.03 C ATOM 1991 OE1 GLN A 123 -6.863 17.549 -6.250 1.00 10.35 O ATOM 1992 NE2 GLN A 123 -4.853 17.974 -7.108 1.00 14.02 N ATOM 0 H GLN A 123 -6.034 13.250 -5.172 1.00 14.25 H new ATOM 0 HA GLN A 123 -4.821 12.712 -7.642 1.00 72.43 H new ATOM 0 HB2 GLN A 123 -4.982 15.113 -8.049 1.00 54.43 H new ATOM 0 HB3 GLN A 123 -6.438 14.553 -7.250 1.00 54.43 H new ATOM 0 HG2 GLN A 123 -5.729 15.519 -5.122 1.00 71.51 H new ATOM 0 HG3 GLN A 123 -4.144 15.902 -5.764 1.00 71.51 H new ATOM 0 HE21 GLN A 123 -3.899 17.654 -7.276 1.00 14.02 H new ATOM 0 HE22 GLN A 123 -5.147 18.895 -7.434 1.00 14.02 H new ATOM 2001 N GLU A 124 -2.763 13.889 -5.321 1.00 71.11 N ATOM 2002 CA GLU A 124 -1.358 14.107 -4.928 1.00 21.24 C ATOM 2003 C GLU A 124 -0.469 12.885 -5.270 1.00 14.13 C ATOM 2004 O GLU A 124 0.627 13.049 -5.818 1.00 43.04 O ATOM 2005 CB GLU A 124 -1.289 14.409 -3.417 1.00 63.32 C ATOM 2006 CG GLU A 124 0.129 14.733 -2.894 1.00 20.12 C ATOM 2007 CD GLU A 124 0.223 14.688 -1.369 1.00 62.43 C ATOM 2008 OE1 GLU A 124 -0.050 13.618 -0.807 1.00 73.22 O ATOM 2009 OE2 GLU A 124 0.550 15.710 -0.722 1.00 43.24 O ATOM 0 H GLU A 124 -3.419 13.987 -4.546 1.00 71.11 H new ATOM 0 HA GLU A 124 -0.975 14.957 -5.493 1.00 21.24 H new ATOM 0 HB2 GLU A 124 -1.945 15.251 -3.197 1.00 63.32 H new ATOM 0 HB3 GLU A 124 -1.678 13.550 -2.869 1.00 63.32 H new ATOM 0 HG2 GLU A 124 0.839 14.023 -3.318 1.00 20.12 H new ATOM 0 HG3 GLU A 124 0.422 15.723 -3.242 1.00 20.12 H new ATOM 2016 N TYR A 125 -0.963 11.663 -4.946 1.00 45.44 N ATOM 2017 CA TYR A 125 -0.294 10.401 -5.341 1.00 22.40 C ATOM 2018 C TYR A 125 -0.156 10.339 -6.871 1.00 13.31 C ATOM 2019 O TYR A 125 0.939 10.239 -7.391 1.00 32.43 O ATOM 2020 CB TYR A 125 -1.093 9.162 -4.839 1.00 62.10 C ATOM 2021 CG TYR A 125 -0.461 7.795 -5.191 1.00 42.23 C ATOM 2022 CD1 TYR A 125 0.599 7.277 -4.441 1.00 51.50 C ATOM 2023 CD2 TYR A 125 -0.920 7.029 -6.272 1.00 72.45 C ATOM 2024 CE1 TYR A 125 1.175 6.058 -4.755 1.00 53.20 C ATOM 2025 CE2 TYR A 125 -0.349 5.812 -6.585 1.00 51.12 C ATOM 2026 CZ TYR A 125 0.698 5.330 -5.826 1.00 31.40 C ATOM 2027 OH TYR A 125 1.280 4.120 -6.147 1.00 33.35 O ATOM 0 H TYR A 125 -1.822 11.527 -4.413 1.00 45.44 H new ATOM 0 HA TYR A 125 0.694 10.383 -4.882 1.00 22.40 H new ATOM 0 HB2 TYR A 125 -1.198 9.230 -3.756 1.00 62.10 H new ATOM 0 HB3 TYR A 125 -2.098 9.201 -5.260 1.00 62.10 H new ATOM 0 HD1 TYR A 125 0.976 7.839 -3.600 1.00 51.50 H new ATOM 0 HD2 TYR A 125 -1.738 7.399 -6.873 1.00 72.45 H new ATOM 0 HE1 TYR A 125 1.995 5.678 -4.164 1.00 53.20 H new ATOM 0 HE2 TYR A 125 -0.720 5.239 -7.421 1.00 51.12 H new ATOM 0 HH TYR A 125 1.634 3.701 -5.335 1.00 33.35 H new ATOM 2037 N ASN A 126 -1.291 10.491 -7.565 1.00 41.34 N ATOM 2038 CA ASN A 126 -1.383 10.321 -9.030 1.00 13.42 C ATOM 2039 C ASN A 126 -0.469 11.317 -9.812 1.00 23.35 C ATOM 2040 O ASN A 126 -0.025 11.008 -10.924 1.00 61.03 O ATOM 2041 CB ASN A 126 -2.868 10.477 -9.467 1.00 70.12 C ATOM 2042 CG ASN A 126 -3.146 9.994 -10.892 1.00 54.23 C ATOM 2043 OD1 ASN A 126 -2.554 9.028 -11.363 1.00 42.51 O ATOM 2044 ND2 ASN A 126 -4.043 10.658 -11.592 1.00 60.32 N ATOM 0 H ASN A 126 -2.179 10.737 -7.128 1.00 41.34 H new ATOM 0 HA ASN A 126 -1.023 9.322 -9.276 1.00 13.42 H new ATOM 0 HB2 ASN A 126 -3.501 9.921 -8.775 1.00 70.12 H new ATOM 0 HB3 ASN A 126 -3.152 11.526 -9.387 1.00 70.12 H new ATOM 0 HD21 ASN A 126 -4.258 10.372 -12.547 1.00 60.32 H new ATOM 0 HD22 ASN A 126 -4.522 11.458 -11.179 1.00 60.32 H new ATOM 2051 N GLU A 127 -0.197 12.506 -9.231 1.00 75.51 N ATOM 2052 CA GLU A 127 0.672 13.539 -9.849 1.00 54.54 C ATOM 2053 C GLU A 127 2.172 13.331 -9.505 1.00 13.23 C ATOM 2054 O GLU A 127 3.034 13.510 -10.372 1.00 3.01 O ATOM 2055 CB GLU A 127 0.195 14.945 -9.380 1.00 34.41 C ATOM 2056 CG GLU A 127 -1.266 15.272 -9.776 1.00 41.01 C ATOM 2057 CD GLU A 127 -1.804 16.583 -9.157 1.00 14.12 C ATOM 2058 OE1 GLU A 127 -2.159 16.581 -7.956 1.00 73.45 O ATOM 2059 OE2 GLU A 127 -1.875 17.616 -9.863 1.00 34.44 O ATOM 0 H GLU A 127 -0.571 12.779 -8.322 1.00 75.51 H new ATOM 0 HA GLU A 127 0.586 13.454 -10.932 1.00 54.54 H new ATOM 0 HB2 GLU A 127 0.291 15.008 -8.296 1.00 34.41 H new ATOM 0 HB3 GLU A 127 0.855 15.702 -9.803 1.00 34.41 H new ATOM 0 HG2 GLU A 127 -1.331 15.341 -10.862 1.00 41.01 H new ATOM 0 HG3 GLU A 127 -1.909 14.447 -9.470 1.00 41.01 H new ATOM 2066 N VAL A 128 2.481 12.951 -8.245 1.00 61.23 N ATOM 2067 CA VAL A 128 3.886 12.778 -7.771 1.00 43.24 C ATOM 2068 C VAL A 128 4.369 11.328 -8.023 1.00 11.41 C ATOM 2069 O VAL A 128 5.331 11.099 -8.766 1.00 62.51 O ATOM 2070 CB VAL A 128 4.037 13.148 -6.241 1.00 62.31 C ATOM 2071 CG1 VAL A 128 5.492 12.940 -5.735 1.00 63.24 C ATOM 2072 CG2 VAL A 128 3.549 14.600 -5.968 1.00 1.23 C ATOM 0 H VAL A 128 1.779 12.756 -7.531 1.00 61.23 H new ATOM 0 HA VAL A 128 4.511 13.465 -8.342 1.00 43.24 H new ATOM 0 HB VAL A 128 3.401 12.465 -5.678 1.00 62.31 H new ATOM 0 HG11 VAL A 128 5.552 13.206 -4.680 1.00 63.24 H new ATOM 0 HG12 VAL A 128 5.776 11.895 -5.863 1.00 63.24 H new ATOM 0 HG13 VAL A 128 6.170 13.573 -6.307 1.00 63.24 H new ATOM 0 HG21 VAL A 128 3.664 14.829 -4.909 1.00 1.23 H new ATOM 0 HG22 VAL A 128 4.142 15.300 -6.557 1.00 1.23 H new ATOM 0 HG23 VAL A 128 2.499 14.690 -6.247 1.00 1.23 H new ATOM 2082 N PHE A 129 3.689 10.356 -7.396 1.00 25.31 N ATOM 2083 CA PHE A 129 3.953 8.910 -7.601 1.00 23.34 C ATOM 2084 C PHE A 129 2.866 8.316 -8.522 1.00 41.43 C ATOM 2085 O PHE A 129 1.970 7.587 -8.069 1.00 50.31 O ATOM 2086 CB PHE A 129 4.000 8.151 -6.244 1.00 44.05 C ATOM 2087 CG PHE A 129 5.102 8.620 -5.301 1.00 70.51 C ATOM 2088 CD1 PHE A 129 6.444 8.440 -5.638 1.00 2.41 C ATOM 2089 CD2 PHE A 129 4.802 9.230 -4.080 1.00 43.33 C ATOM 2090 CE1 PHE A 129 7.445 8.853 -4.789 1.00 5.21 C ATOM 2091 CE2 PHE A 129 5.807 9.639 -3.233 1.00 4.24 C ATOM 2092 CZ PHE A 129 7.130 9.449 -3.589 1.00 10.24 C ATOM 0 H PHE A 129 2.939 10.543 -6.731 1.00 25.31 H new ATOM 0 HA PHE A 129 4.928 8.794 -8.075 1.00 23.34 H new ATOM 0 HB2 PHE A 129 3.038 8.264 -5.744 1.00 44.05 H new ATOM 0 HB3 PHE A 129 4.134 7.087 -6.440 1.00 44.05 H new ATOM 0 HD1 PHE A 129 6.700 7.971 -6.576 1.00 2.41 H new ATOM 0 HD2 PHE A 129 3.771 9.382 -3.798 1.00 43.33 H new ATOM 0 HE1 PHE A 129 8.479 8.709 -5.065 1.00 5.21 H new ATOM 0 HE2 PHE A 129 5.563 10.108 -2.291 1.00 4.24 H new ATOM 0 HZ PHE A 129 7.918 9.769 -2.924 1.00 10.24 H new ATOM 2102 N GLY A 130 2.916 8.708 -9.811 1.00 64.03 N ATOM 2103 CA GLY A 130 1.969 8.230 -10.828 1.00 14.03 C ATOM 2104 C GLY A 130 1.923 6.705 -10.989 1.00 63.24 C ATOM 2105 O GLY A 130 2.688 5.969 -10.350 1.00 63.35 O ATOM 0 H GLY A 130 3.612 9.361 -10.171 1.00 64.03 H new ATOM 0 HA2 GLY A 130 0.971 8.586 -10.572 1.00 14.03 H new ATOM 0 HA3 GLY A 130 2.230 8.676 -11.788 1.00 14.03 H new ATOM 2109 N GLU A 131 1.049 6.233 -11.889 1.00 23.50 N ATOM 2110 CA GLU A 131 0.746 4.790 -12.042 1.00 30.11 C ATOM 2111 C GLU A 131 1.968 3.952 -12.505 1.00 54.41 C ATOM 2112 O GLU A 131 1.947 2.725 -12.414 1.00 13.03 O ATOM 2113 CB GLU A 131 -0.469 4.601 -12.993 1.00 24.00 C ATOM 2114 CG GLU A 131 -1.726 5.389 -12.557 1.00 51.12 C ATOM 2115 CD GLU A 131 -3.017 4.965 -13.280 1.00 50.53 C ATOM 2116 OE1 GLU A 131 -3.707 4.035 -12.799 1.00 3.14 O ATOM 2117 OE2 GLU A 131 -3.354 5.559 -14.330 1.00 21.41 O ATOM 0 H GLU A 131 0.531 6.832 -12.532 1.00 23.50 H new ATOM 0 HA GLU A 131 0.489 4.408 -11.054 1.00 30.11 H new ATOM 0 HB2 GLU A 131 -0.185 4.914 -13.998 1.00 24.00 H new ATOM 0 HB3 GLU A 131 -0.716 3.541 -13.047 1.00 24.00 H new ATOM 0 HG2 GLU A 131 -1.866 5.263 -11.483 1.00 51.12 H new ATOM 0 HG3 GLU A 131 -1.555 6.451 -12.734 1.00 51.12 H new ATOM 2124 N ASP A 132 3.030 4.625 -12.990 1.00 12.11 N ATOM 2125 CA ASP A 132 4.310 3.972 -13.343 1.00 73.15 C ATOM 2126 C ASP A 132 5.348 4.066 -12.186 1.00 51.21 C ATOM 2127 O ASP A 132 6.146 3.150 -11.999 1.00 61.22 O ATOM 2128 CB ASP A 132 4.884 4.608 -14.633 1.00 64.14 C ATOM 2129 CG ASP A 132 3.923 4.472 -15.828 1.00 53.11 C ATOM 2130 OD1 ASP A 132 3.914 3.406 -16.481 1.00 33.43 O ATOM 2131 OD2 ASP A 132 3.155 5.421 -16.103 1.00 32.00 O ATOM 0 H ASP A 132 3.027 5.633 -13.148 1.00 12.11 H new ATOM 0 HA ASP A 132 4.110 2.914 -13.515 1.00 73.15 H new ATOM 0 HB2 ASP A 132 5.091 5.663 -14.454 1.00 64.14 H new ATOM 0 HB3 ASP A 132 5.834 4.134 -14.878 1.00 64.14 H new ATOM 2136 N THR A 133 5.320 5.162 -11.410 1.00 61.42 N ATOM 2137 CA THR A 133 6.343 5.447 -10.369 1.00 61.14 C ATOM 2138 C THR A 133 6.009 4.768 -9.005 1.00 22.13 C ATOM 2139 O THR A 133 4.861 4.790 -8.546 1.00 4.32 O ATOM 2140 CB THR A 133 6.513 6.995 -10.167 1.00 51.33 C ATOM 2141 OG1 THR A 133 6.833 7.620 -11.428 1.00 14.14 O ATOM 2142 CG2 THR A 133 7.615 7.348 -9.144 1.00 63.44 C ATOM 0 H THR A 133 4.595 5.877 -11.479 1.00 61.42 H new ATOM 0 HA THR A 133 7.281 5.023 -10.727 1.00 61.14 H new ATOM 0 HB THR A 133 5.565 7.367 -9.777 1.00 51.33 H new ATOM 0 HG1 THR A 133 6.936 8.586 -11.298 1.00 14.14 H new ATOM 0 HG21 THR A 133 7.687 8.431 -9.046 1.00 63.44 H new ATOM 0 HG22 THR A 133 7.367 6.912 -8.177 1.00 63.44 H new ATOM 0 HG23 THR A 133 8.570 6.951 -9.487 1.00 63.44 H new ATOM 2150 N VAL A 134 7.043 4.175 -8.374 1.00 60.34 N ATOM 2151 CA VAL A 134 6.953 3.531 -7.043 1.00 20.50 C ATOM 2152 C VAL A 134 7.230 4.579 -5.926 1.00 22.23 C ATOM 2153 O VAL A 134 8.156 5.390 -6.078 1.00 33.43 O ATOM 2154 CB VAL A 134 8.016 2.364 -6.916 1.00 55.54 C ATOM 2155 CG1 VAL A 134 7.880 1.586 -5.574 1.00 22.14 C ATOM 2156 CG2 VAL A 134 7.944 1.405 -8.128 1.00 4.22 C ATOM 0 H VAL A 134 7.978 4.128 -8.779 1.00 60.34 H new ATOM 0 HA VAL A 134 5.949 3.121 -6.932 1.00 20.50 H new ATOM 0 HB VAL A 134 9.001 2.832 -6.914 1.00 55.54 H new ATOM 0 HG11 VAL A 134 8.630 0.796 -5.534 1.00 22.14 H new ATOM 0 HG12 VAL A 134 8.029 2.271 -4.739 1.00 22.14 H new ATOM 0 HG13 VAL A 134 6.885 1.145 -5.508 1.00 22.14 H new ATOM 0 HG21 VAL A 134 8.686 0.615 -8.011 1.00 4.22 H new ATOM 0 HG22 VAL A 134 6.949 0.963 -8.184 1.00 4.22 H new ATOM 0 HG23 VAL A 134 8.146 1.960 -9.044 1.00 4.22 H new ATOM 2166 N PRO A 135 6.424 4.609 -4.812 1.00 60.54 N ATOM 2167 CA PRO A 135 6.783 5.376 -3.584 1.00 53.43 C ATOM 2168 C PRO A 135 8.195 5.015 -3.039 1.00 35.13 C ATOM 2169 O PRO A 135 8.573 3.835 -2.996 1.00 23.34 O ATOM 2170 CB PRO A 135 5.668 4.985 -2.577 1.00 72.12 C ATOM 2171 CG PRO A 135 4.494 4.630 -3.448 1.00 53.25 C ATOM 2172 CD PRO A 135 5.085 3.972 -4.685 1.00 42.31 C ATOM 0 HA PRO A 135 6.838 6.448 -3.773 1.00 53.43 H new ATOM 0 HB2 PRO A 135 5.971 4.143 -1.954 1.00 72.12 H new ATOM 0 HB3 PRO A 135 5.431 5.810 -1.905 1.00 72.12 H new ATOM 0 HG2 PRO A 135 3.814 3.953 -2.931 1.00 53.25 H new ATOM 0 HG3 PRO A 135 3.920 5.518 -3.713 1.00 53.25 H new ATOM 0 HD2 PRO A 135 5.164 2.891 -4.566 1.00 42.31 H new ATOM 0 HD3 PRO A 135 4.470 4.151 -5.567 1.00 42.31 H new ATOM 2180 N TYR A 136 8.974 6.042 -2.655 1.00 60.43 N ATOM 2181 CA TYR A 136 10.326 5.860 -2.074 1.00 63.10 C ATOM 2182 C TYR A 136 10.607 6.908 -0.974 1.00 53.51 C ATOM 2183 O TYR A 136 9.767 7.774 -0.693 1.00 1.10 O ATOM 2184 CB TYR A 136 11.417 5.900 -3.191 1.00 5.23 C ATOM 2185 CG TYR A 136 11.462 7.194 -4.049 1.00 21.54 C ATOM 2186 CD1 TYR A 136 12.101 8.354 -3.588 1.00 41.20 C ATOM 2187 CD2 TYR A 136 10.872 7.247 -5.322 1.00 2.01 C ATOM 2188 CE1 TYR A 136 12.146 9.506 -4.349 1.00 63.13 C ATOM 2189 CE2 TYR A 136 10.918 8.398 -6.086 1.00 71.11 C ATOM 2190 CZ TYR A 136 11.553 9.525 -5.596 1.00 42.33 C ATOM 2191 OH TYR A 136 11.594 10.675 -6.353 1.00 51.22 O ATOM 0 H TYR A 136 8.691 7.018 -2.736 1.00 60.43 H new ATOM 0 HA TYR A 136 10.363 4.877 -1.604 1.00 63.10 H new ATOM 0 HB2 TYR A 136 12.392 5.762 -2.724 1.00 5.23 H new ATOM 0 HB3 TYR A 136 11.259 5.051 -3.856 1.00 5.23 H new ATOM 0 HD1 TYR A 136 12.569 8.347 -2.615 1.00 41.20 H new ATOM 0 HD2 TYR A 136 10.373 6.372 -5.712 1.00 2.01 H new ATOM 0 HE1 TYR A 136 12.642 10.387 -3.971 1.00 63.13 H new ATOM 0 HE2 TYR A 136 10.459 8.417 -7.063 1.00 71.11 H new ATOM 0 HH TYR A 136 11.132 10.523 -7.204 1.00 51.22 H new