USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1029 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 52 LYS NZ :NH3+ 138:sc= 0.81 (180deg=-0.0612) USER MOD Set 1.2: A 78 SER OG : rot -170:sc= 0.781 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 34 LYS NZ :NH3+ -154:sc= 0.766 (180deg=-0.0189) USER MOD Set 3.2: A 58 SER OG : rot 65:sc= 1.31 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -164:sc= 0.559 (180deg=0) USER MOD Set 4.2: A 29 GLN : amide:sc= 0.351 K(o=0.91,f=-3.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= -0.0797 (180deg=-0.125) USER MOD Single : A 8 SER OG : rot 51:sc= 0.159 USER MOD Single : A 11 GLN : amide:sc= -0.691 K(o=-0.69,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0.627 (180deg=0.625) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= 0.759 (180deg=0.598) USER MOD Single : A 26 TYR OH : rot 80:sc= -0.234 USER MOD Single : A 30 THR OG1 : rot 42:sc= 0.0391 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00142) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.364 K(o=0.36,f=-3.5!) USER MOD Single : A 48 MET CE :methyl -155:sc= -0.797 (180deg=-2.81!) USER MOD Single : A 53 THR OG1 : rot 98:sc= 0.366 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00497) USER MOD Single : A 64 LYS NZ :NH3+ 147:sc= 0.698 (180deg=0.00372) USER MOD Single : A 65 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.02) USER MOD Single : A 69 SER OG : rot -155:sc= 0.584 USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= 0.0026 (180deg=-0.763) USER MOD Single : A 77 SER OG : rot 150:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.0019) USER MOD Single : A 85 SER OG : rot -5:sc= 1.09 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 120:sc= -0.177 USER MOD Single : A 99 GLN : amide:sc= 0.309 K(o=0.31,f=-0.3) USER MOD Single : A 101 LYS NZ :NH3+ 135:sc= 0.953 (180deg=-0.0332) USER MOD Single : A 105 LYS NZ :NH3+ -170:sc= 0.876 (180deg=0.806) USER MOD Single : A 113 LYS NZ :NH3+ 134:sc= 0.756 (180deg=0.459) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= -0.795 K(o=-0.79,f=0.042) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HE2:sc= 0.261 K(o=0.26,f=-1.3) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.038 11.353 -2.202 1.00 33.35 N ATOM 2 CA MET A 1 13.892 11.489 -3.137 1.00 33.30 C ATOM 3 C MET A 1 13.168 10.141 -3.350 1.00 71.21 C ATOM 4 O MET A 1 12.375 10.000 -4.290 1.00 74.45 O ATOM 5 CB MET A 1 14.371 12.097 -4.488 1.00 23.04 C ATOM 6 CG MET A 1 15.419 11.270 -5.254 1.00 64.31 C ATOM 7 SD MET A 1 15.923 12.068 -6.797 1.00 53.50 S ATOM 8 CE MET A 1 17.075 10.869 -7.473 1.00 1.30 C ATOM 0 H1 MET A 1 15.683 12.160 -2.323 1.00 33.35 H new ATOM 0 H2 MET A 1 14.687 11.334 -1.223 1.00 33.35 H new ATOM 0 H3 MET A 1 15.548 10.469 -2.404 1.00 33.35 H new ATOM 0 HA MET A 1 13.167 12.170 -2.691 1.00 33.30 H new ATOM 0 HB2 MET A 1 13.502 12.236 -5.132 1.00 23.04 H new ATOM 0 HB3 MET A 1 14.786 13.086 -4.294 1.00 23.04 H new ATOM 0 HG2 MET A 1 16.294 11.120 -4.622 1.00 64.31 H new ATOM 0 HG3 MET A 1 15.011 10.283 -5.473 1.00 64.31 H new ATOM 0 HE1 MET A 1 17.463 11.233 -8.424 1.00 1.30 H new ATOM 0 HE2 MET A 1 17.901 10.725 -6.776 1.00 1.30 H new ATOM 0 HE3 MET A 1 16.562 9.920 -7.630 1.00 1.30 H new ATOM 20 N GLY A 2 13.441 9.166 -2.457 1.00 64.20 N ATOM 21 CA GLY A 2 12.738 7.888 -2.443 1.00 33.02 C ATOM 22 C GLY A 2 11.285 8.072 -2.032 1.00 73.31 C ATOM 23 O GLY A 2 10.974 8.102 -0.838 1.00 15.03 O ATOM 0 H GLY A 2 14.154 9.253 -1.733 1.00 64.20 H new ATOM 0 HA2 GLY A 2 12.785 7.432 -3.432 1.00 33.02 H new ATOM 0 HA3 GLY A 2 13.232 7.204 -1.752 1.00 33.02 H new ATOM 27 N LYS A 3 10.417 8.233 -3.038 1.00 42.44 N ATOM 28 CA LYS A 3 9.019 8.620 -2.841 1.00 75.32 C ATOM 29 C LYS A 3 8.200 7.478 -2.214 1.00 14.33 C ATOM 30 O LYS A 3 7.876 6.486 -2.883 1.00 24.53 O ATOM 31 CB LYS A 3 8.415 9.060 -4.195 1.00 24.41 C ATOM 32 CG LYS A 3 7.035 9.753 -4.124 1.00 72.21 C ATOM 33 CD LYS A 3 7.075 11.063 -3.303 1.00 44.02 C ATOM 34 CE LYS A 3 5.756 11.847 -3.361 1.00 64.01 C ATOM 35 NZ LYS A 3 5.826 13.111 -2.573 1.00 3.44 N ATOM 0 H LYS A 3 10.669 8.097 -4.017 1.00 42.44 H new ATOM 0 HA LYS A 3 8.982 9.456 -2.143 1.00 75.32 H new ATOM 0 HB2 LYS A 3 9.116 9.738 -4.681 1.00 24.41 H new ATOM 0 HB3 LYS A 3 8.327 8.182 -4.834 1.00 24.41 H new ATOM 0 HG2 LYS A 3 6.688 9.971 -5.134 1.00 72.21 H new ATOM 0 HG3 LYS A 3 6.311 9.070 -3.679 1.00 72.21 H new ATOM 0 HD2 LYS A 3 7.306 10.827 -2.264 1.00 44.02 H new ATOM 0 HD3 LYS A 3 7.883 11.694 -3.674 1.00 44.02 H new ATOM 0 HE2 LYS A 3 5.517 12.079 -4.399 1.00 64.01 H new ATOM 0 HE3 LYS A 3 4.947 11.225 -2.979 1.00 64.01 H new ATOM 0 HZ1 LYS A 3 4.864 13.471 -2.409 1.00 3.44 H new ATOM 0 HZ2 LYS A 3 6.287 12.925 -1.659 1.00 3.44 H new ATOM 0 HZ3 LYS A 3 6.376 13.819 -3.101 1.00 3.44 H new ATOM 49 N VAL A 4 7.907 7.625 -0.913 1.00 14.04 N ATOM 50 CA VAL A 4 6.990 6.750 -0.185 1.00 13.15 C ATOM 51 C VAL A 4 5.577 7.303 -0.385 1.00 32.34 C ATOM 52 O VAL A 4 5.342 8.484 -0.121 1.00 31.45 O ATOM 53 CB VAL A 4 7.309 6.685 1.356 1.00 34.31 C ATOM 54 CG1 VAL A 4 6.447 5.601 2.051 1.00 20.40 C ATOM 55 CG2 VAL A 4 8.825 6.479 1.612 1.00 42.21 C ATOM 0 H VAL A 4 8.307 8.364 -0.335 1.00 14.04 H new ATOM 0 HA VAL A 4 7.093 5.736 -0.571 1.00 13.15 H new ATOM 0 HB VAL A 4 7.044 7.645 1.799 1.00 34.31 H new ATOM 0 HG11 VAL A 4 6.684 5.574 3.115 1.00 20.40 H new ATOM 0 HG12 VAL A 4 5.391 5.837 1.921 1.00 20.40 H new ATOM 0 HG13 VAL A 4 6.659 4.628 1.607 1.00 20.40 H new ATOM 0 HG21 VAL A 4 9.011 6.439 2.685 1.00 42.21 H new ATOM 0 HG22 VAL A 4 9.148 5.545 1.153 1.00 42.21 H new ATOM 0 HG23 VAL A 4 9.383 7.309 1.178 1.00 42.21 H new ATOM 65 N VAL A 5 4.666 6.471 -0.906 1.00 24.21 N ATOM 66 CA VAL A 5 3.262 6.850 -1.138 1.00 44.13 C ATOM 67 C VAL A 5 2.336 5.836 -0.460 1.00 22.31 C ATOM 68 O VAL A 5 2.450 4.634 -0.698 1.00 33.51 O ATOM 69 CB VAL A 5 2.931 6.935 -2.682 1.00 41.21 C ATOM 70 CG1 VAL A 5 1.422 7.180 -2.944 1.00 14.24 C ATOM 71 CG2 VAL A 5 3.791 8.020 -3.375 1.00 12.54 C ATOM 0 H VAL A 5 4.881 5.512 -1.180 1.00 24.21 H new ATOM 0 HA VAL A 5 3.103 7.839 -0.708 1.00 44.13 H new ATOM 0 HB VAL A 5 3.181 5.967 -3.115 1.00 41.21 H new ATOM 0 HG11 VAL A 5 1.243 7.231 -4.018 1.00 14.24 H new ATOM 0 HG12 VAL A 5 0.841 6.362 -2.518 1.00 14.24 H new ATOM 0 HG13 VAL A 5 1.120 8.119 -2.481 1.00 14.24 H new ATOM 0 HG21 VAL A 5 3.544 8.058 -4.436 1.00 12.54 H new ATOM 0 HG22 VAL A 5 3.589 8.990 -2.921 1.00 12.54 H new ATOM 0 HG23 VAL A 5 4.847 7.777 -3.257 1.00 12.54 H new ATOM 81 N PHE A 6 1.440 6.327 0.407 1.00 61.21 N ATOM 82 CA PHE A 6 0.364 5.516 0.981 1.00 72.04 C ATOM 83 C PHE A 6 -0.931 5.780 0.209 1.00 44.41 C ATOM 84 O PHE A 6 -1.494 6.878 0.274 1.00 52.01 O ATOM 85 CB PHE A 6 0.154 5.825 2.484 1.00 31.33 C ATOM 86 CG PHE A 6 -0.948 4.987 3.128 1.00 54.24 C ATOM 87 CD1 PHE A 6 -0.773 3.615 3.309 1.00 70.11 C ATOM 88 CD2 PHE A 6 -2.162 5.553 3.526 1.00 2.41 C ATOM 89 CE1 PHE A 6 -1.764 2.841 3.866 1.00 25.14 C ATOM 90 CE2 PHE A 6 -3.150 4.776 4.088 1.00 60.10 C ATOM 91 CZ PHE A 6 -2.953 3.418 4.250 1.00 53.11 C ATOM 0 H PHE A 6 1.443 7.295 0.728 1.00 61.21 H new ATOM 0 HA PHE A 6 0.644 4.466 0.897 1.00 72.04 H new ATOM 0 HB2 PHE A 6 1.089 5.653 3.017 1.00 31.33 H new ATOM 0 HB3 PHE A 6 -0.089 6.881 2.600 1.00 31.33 H new ATOM 0 HD1 PHE A 6 0.155 3.153 3.007 1.00 70.11 H new ATOM 0 HD2 PHE A 6 -2.327 6.612 3.391 1.00 2.41 H new ATOM 0 HE1 PHE A 6 -1.609 1.781 4.002 1.00 25.14 H new ATOM 0 HE2 PHE A 6 -4.079 5.228 4.402 1.00 60.10 H new ATOM 0 HZ PHE A 6 -3.734 2.808 4.679 1.00 53.11 H new ATOM 101 N LEU A 7 -1.378 4.771 -0.526 1.00 24.42 N ATOM 102 CA LEU A 7 -2.679 4.763 -1.195 1.00 54.00 C ATOM 103 C LEU A 7 -3.683 3.998 -0.305 1.00 63.42 C ATOM 104 O LEU A 7 -3.316 2.987 0.296 1.00 61.11 O ATOM 105 CB LEU A 7 -2.536 4.079 -2.581 1.00 42.31 C ATOM 106 CG LEU A 7 -3.848 3.907 -3.401 1.00 41.21 C ATOM 107 CD1 LEU A 7 -4.512 5.268 -3.711 1.00 11.22 C ATOM 108 CD2 LEU A 7 -3.585 3.084 -4.679 1.00 11.20 C ATOM 0 H LEU A 7 -0.840 3.918 -0.679 1.00 24.42 H new ATOM 0 HA LEU A 7 -3.041 5.780 -1.349 1.00 54.00 H new ATOM 0 HB2 LEU A 7 -1.832 4.659 -3.178 1.00 42.31 H new ATOM 0 HB3 LEU A 7 -2.093 3.094 -2.433 1.00 42.31 H new ATOM 0 HG LEU A 7 -4.558 3.350 -2.790 1.00 41.21 H new ATOM 0 HD11 LEU A 7 -5.425 5.105 -4.284 1.00 11.22 H new ATOM 0 HD12 LEU A 7 -4.756 5.775 -2.777 1.00 11.22 H new ATOM 0 HD13 LEU A 7 -3.825 5.885 -4.290 1.00 11.22 H new ATOM 0 HD21 LEU A 7 -4.514 2.975 -5.239 1.00 11.20 H new ATOM 0 HD22 LEU A 7 -2.847 3.597 -5.296 1.00 11.20 H new ATOM 0 HD23 LEU A 7 -3.208 2.099 -4.406 1.00 11.20 H new ATOM 120 N SER A 8 -4.928 4.504 -0.195 1.00 12.14 N ATOM 121 CA SER A 8 -6.033 3.809 0.498 1.00 75.23 C ATOM 122 C SER A 8 -7.372 4.420 0.083 1.00 60.43 C ATOM 123 O SER A 8 -7.423 5.544 -0.433 1.00 72.34 O ATOM 124 CB SER A 8 -5.857 3.880 2.040 1.00 44.24 C ATOM 125 OG SER A 8 -6.946 3.293 2.752 1.00 33.11 O ATOM 0 H SER A 8 -5.196 5.408 -0.585 1.00 12.14 H new ATOM 0 HA SER A 8 -6.016 2.758 0.209 1.00 75.23 H new ATOM 0 HB2 SER A 8 -4.933 3.374 2.319 1.00 44.24 H new ATOM 0 HB3 SER A 8 -5.753 4.922 2.341 1.00 44.24 H new ATOM 0 HG SER A 8 -7.118 2.393 2.403 1.00 33.11 H new ATOM 131 N ASP A 9 -8.451 3.668 0.321 1.00 1.11 N ATOM 132 CA ASP A 9 -9.836 4.129 0.084 1.00 44.43 C ATOM 133 C ASP A 9 -10.458 4.583 1.405 1.00 43.31 C ATOM 134 O ASP A 9 -11.292 5.495 1.448 1.00 53.34 O ATOM 135 CB ASP A 9 -10.699 2.994 -0.525 1.00 12.10 C ATOM 136 CG ASP A 9 -10.185 2.524 -1.893 1.00 53.43 C ATOM 137 OD1 ASP A 9 -9.509 1.482 -1.962 1.00 13.32 O ATOM 138 OD2 ASP A 9 -10.454 3.202 -2.905 1.00 10.24 O ATOM 0 H ASP A 9 -8.395 2.717 0.685 1.00 1.11 H new ATOM 0 HA ASP A 9 -9.806 4.961 -0.619 1.00 44.43 H new ATOM 0 HB2 ASP A 9 -10.715 2.148 0.162 1.00 12.10 H new ATOM 0 HB3 ASP A 9 -11.727 3.341 -0.628 1.00 12.10 H new ATOM 143 N ASP A 10 -10.019 3.915 2.479 1.00 22.42 N ATOM 144 CA ASP A 10 -10.558 4.080 3.830 1.00 44.24 C ATOM 145 C ASP A 10 -9.965 5.355 4.464 1.00 1.23 C ATOM 146 O ASP A 10 -8.756 5.412 4.711 1.00 75.11 O ATOM 147 CB ASP A 10 -10.209 2.832 4.682 1.00 44.32 C ATOM 148 CG ASP A 10 -10.391 1.484 3.957 1.00 23.22 C ATOM 149 OD1 ASP A 10 -11.511 0.939 3.953 1.00 11.10 O ATOM 150 OD2 ASP A 10 -9.403 0.959 3.389 1.00 32.23 O ATOM 0 H ASP A 10 -9.264 3.231 2.430 1.00 22.42 H new ATOM 0 HA ASP A 10 -11.643 4.181 3.788 1.00 44.24 H new ATOM 0 HB2 ASP A 10 -9.174 2.914 5.014 1.00 44.32 H new ATOM 0 HB3 ASP A 10 -10.831 2.834 5.577 1.00 44.32 H new ATOM 155 N GLN A 11 -10.823 6.366 4.712 1.00 22.30 N ATOM 156 CA GLN A 11 -10.407 7.699 5.206 1.00 43.24 C ATOM 157 C GLN A 11 -9.701 7.641 6.584 1.00 10.52 C ATOM 158 O GLN A 11 -8.589 8.158 6.731 1.00 32.24 O ATOM 159 CB GLN A 11 -11.633 8.658 5.259 1.00 73.13 C ATOM 160 CG GLN A 11 -11.333 10.093 5.763 1.00 41.15 C ATOM 161 CD GLN A 11 -10.286 10.843 4.925 1.00 53.43 C ATOM 162 OE1 GLN A 11 -10.620 11.510 3.945 1.00 53.32 O ATOM 163 NE2 GLN A 11 -9.016 10.746 5.303 1.00 42.12 N ATOM 0 H GLN A 11 -11.830 6.282 4.575 1.00 22.30 H new ATOM 0 HA GLN A 11 -9.673 8.085 4.499 1.00 43.24 H new ATOM 0 HB2 GLN A 11 -12.064 8.725 4.260 1.00 73.13 H new ATOM 0 HB3 GLN A 11 -12.391 8.215 5.905 1.00 73.13 H new ATOM 0 HG2 GLN A 11 -12.260 10.667 5.767 1.00 41.15 H new ATOM 0 HG3 GLN A 11 -10.987 10.040 6.795 1.00 41.15 H new ATOM 0 HE21 GLN A 11 -8.768 10.186 6.119 1.00 42.12 H new ATOM 0 HE22 GLN A 11 -8.289 11.231 4.777 1.00 42.12 H new ATOM 172 N GLU A 12 -10.342 6.989 7.574 1.00 30.54 N ATOM 173 CA GLU A 12 -9.845 6.964 8.974 1.00 41.12 C ATOM 174 C GLU A 12 -8.539 6.159 9.096 1.00 34.00 C ATOM 175 O GLU A 12 -7.763 6.356 10.038 1.00 11.32 O ATOM 176 CB GLU A 12 -10.930 6.409 9.927 1.00 14.24 C ATOM 177 CG GLU A 12 -12.304 7.102 9.785 1.00 12.42 C ATOM 178 CD GLU A 12 -13.275 6.787 10.936 1.00 61.21 C ATOM 179 OE1 GLU A 12 -13.807 5.657 10.990 1.00 54.45 O ATOM 180 OE2 GLU A 12 -13.520 7.682 11.781 1.00 14.52 O ATOM 0 H GLU A 12 -11.209 6.469 7.434 1.00 30.54 H new ATOM 0 HA GLU A 12 -9.623 7.990 9.267 1.00 41.12 H new ATOM 0 HB2 GLU A 12 -11.052 5.342 9.741 1.00 14.24 H new ATOM 0 HB3 GLU A 12 -10.585 6.516 10.955 1.00 14.24 H new ATOM 0 HG2 GLU A 12 -12.154 8.180 9.732 1.00 12.42 H new ATOM 0 HG3 GLU A 12 -12.760 6.797 8.843 1.00 12.42 H new ATOM 187 N ILE A 13 -8.305 5.277 8.111 1.00 2.23 N ATOM 188 CA ILE A 13 -7.043 4.556 7.955 1.00 3.50 C ATOM 189 C ILE A 13 -5.933 5.560 7.561 1.00 35.45 C ATOM 190 O ILE A 13 -4.886 5.618 8.208 1.00 40.44 O ATOM 191 CB ILE A 13 -7.182 3.449 6.851 1.00 24.41 C ATOM 192 CG1 ILE A 13 -8.149 2.295 7.291 1.00 3.31 C ATOM 193 CG2 ILE A 13 -5.821 2.903 6.405 1.00 22.02 C ATOM 194 CD1 ILE A 13 -7.660 1.393 8.397 1.00 43.24 C ATOM 0 H ILE A 13 -8.996 5.046 7.397 1.00 2.23 H new ATOM 0 HA ILE A 13 -6.783 4.073 8.897 1.00 3.50 H new ATOM 0 HB ILE A 13 -7.632 3.933 5.984 1.00 24.41 H new ATOM 0 HG12 ILE A 13 -9.092 2.742 7.607 1.00 3.31 H new ATOM 0 HG13 ILE A 13 -8.364 1.679 6.418 1.00 3.31 H new ATOM 0 HG21 ILE A 13 -5.968 2.140 5.641 1.00 22.02 H new ATOM 0 HG22 ILE A 13 -5.219 3.715 5.996 1.00 22.02 H new ATOM 0 HG23 ILE A 13 -5.307 2.465 7.260 1.00 22.02 H new ATOM 0 HD11 ILE A 13 -8.415 0.637 8.611 1.00 43.24 H new ATOM 0 HD12 ILE A 13 -6.736 0.905 8.087 1.00 43.24 H new ATOM 0 HD13 ILE A 13 -7.475 1.984 9.294 1.00 43.24 H new ATOM 206 N ILE A 14 -6.219 6.365 6.503 1.00 70.41 N ATOM 207 CA ILE A 14 -5.278 7.366 5.945 1.00 53.11 C ATOM 208 C ILE A 14 -4.842 8.386 7.017 1.00 53.34 C ATOM 209 O ILE A 14 -3.684 8.772 7.061 1.00 25.24 O ATOM 210 CB ILE A 14 -5.899 8.134 4.706 1.00 3.21 C ATOM 211 CG1 ILE A 14 -6.285 7.139 3.571 1.00 52.31 C ATOM 212 CG2 ILE A 14 -4.929 9.211 4.164 1.00 74.12 C ATOM 213 CD1 ILE A 14 -6.941 7.769 2.345 1.00 3.22 C ATOM 0 H ILE A 14 -7.113 6.335 6.013 1.00 70.41 H new ATOM 0 HA ILE A 14 -4.403 6.812 5.605 1.00 53.11 H new ATOM 0 HB ILE A 14 -6.802 8.635 5.054 1.00 3.21 H new ATOM 0 HG12 ILE A 14 -5.386 6.612 3.251 1.00 52.31 H new ATOM 0 HG13 ILE A 14 -6.963 6.391 3.981 1.00 52.31 H new ATOM 0 HG21 ILE A 14 -5.387 9.718 3.315 1.00 74.12 H new ATOM 0 HG22 ILE A 14 -4.716 9.937 4.949 1.00 74.12 H new ATOM 0 HG23 ILE A 14 -4.000 8.737 3.846 1.00 74.12 H new ATOM 0 HD11 ILE A 14 -7.170 6.992 1.615 1.00 3.22 H new ATOM 0 HD12 ILE A 14 -7.862 8.270 2.642 1.00 3.22 H new ATOM 0 HD13 ILE A 14 -6.260 8.495 1.901 1.00 3.22 H new ATOM 225 N GLU A 15 -5.798 8.783 7.882 1.00 13.30 N ATOM 226 CA GLU A 15 -5.567 9.766 8.969 1.00 21.02 C ATOM 227 C GLU A 15 -4.583 9.219 10.023 1.00 73.41 C ATOM 228 O GLU A 15 -3.711 9.944 10.502 1.00 22.53 O ATOM 229 CB GLU A 15 -6.922 10.152 9.619 1.00 4.42 C ATOM 230 CG GLU A 15 -7.919 10.795 8.631 1.00 22.44 C ATOM 231 CD GLU A 15 -9.271 11.156 9.265 1.00 73.11 C ATOM 232 OE1 GLU A 15 -10.241 10.382 9.117 1.00 55.12 O ATOM 233 OE2 GLU A 15 -9.370 12.219 9.916 1.00 3.41 O ATOM 0 H GLU A 15 -6.755 8.432 7.849 1.00 13.30 H new ATOM 0 HA GLU A 15 -5.113 10.659 8.539 1.00 21.02 H new ATOM 0 HB2 GLU A 15 -7.376 9.260 10.051 1.00 4.42 H new ATOM 0 HB3 GLU A 15 -6.738 10.845 10.439 1.00 4.42 H new ATOM 0 HG2 GLU A 15 -7.472 11.697 8.213 1.00 22.44 H new ATOM 0 HG3 GLU A 15 -8.088 10.109 7.801 1.00 22.44 H new ATOM 240 N GLU A 16 -4.731 7.927 10.344 1.00 31.42 N ATOM 241 CA GLU A 16 -3.881 7.225 11.328 1.00 70.43 C ATOM 242 C GLU A 16 -2.479 6.922 10.771 1.00 11.14 C ATOM 243 O GLU A 16 -1.509 6.893 11.527 1.00 71.02 O ATOM 244 CB GLU A 16 -4.587 5.922 11.775 1.00 4.22 C ATOM 245 CG GLU A 16 -5.750 6.144 12.764 1.00 1.21 C ATOM 246 CD GLU A 16 -5.289 6.324 14.221 1.00 12.52 C ATOM 247 OE1 GLU A 16 -5.174 5.309 14.946 1.00 15.35 O ATOM 248 OE2 GLU A 16 -5.039 7.469 14.658 1.00 32.30 O ATOM 0 H GLU A 16 -5.447 7.331 9.928 1.00 31.42 H new ATOM 0 HA GLU A 16 -3.741 7.880 12.188 1.00 70.43 H new ATOM 0 HB2 GLU A 16 -4.967 5.407 10.893 1.00 4.22 H new ATOM 0 HB3 GLU A 16 -3.852 5.263 12.237 1.00 4.22 H new ATOM 0 HG2 GLU A 16 -6.314 7.025 12.458 1.00 1.21 H new ATOM 0 HG3 GLU A 16 -6.431 5.295 12.709 1.00 1.21 H new ATOM 255 N VAL A 17 -2.385 6.673 9.456 1.00 45.24 N ATOM 256 CA VAL A 17 -1.098 6.439 8.772 1.00 44.30 C ATOM 257 C VAL A 17 -0.358 7.770 8.539 1.00 52.35 C ATOM 258 O VAL A 17 0.869 7.821 8.613 1.00 22.31 O ATOM 259 CB VAL A 17 -1.319 5.677 7.413 1.00 54.23 C ATOM 260 CG1 VAL A 17 -0.014 5.553 6.594 1.00 1.21 C ATOM 261 CG2 VAL A 17 -1.956 4.288 7.664 1.00 63.24 C ATOM 0 H VAL A 17 -3.194 6.628 8.836 1.00 45.24 H new ATOM 0 HA VAL A 17 -0.479 5.812 9.414 1.00 44.30 H new ATOM 0 HB VAL A 17 -2.010 6.271 6.815 1.00 54.23 H new ATOM 0 HG11 VAL A 17 -0.217 5.020 5.665 1.00 1.21 H new ATOM 0 HG12 VAL A 17 0.368 6.548 6.366 1.00 1.21 H new ATOM 0 HG13 VAL A 17 0.728 5.003 7.173 1.00 1.21 H new ATOM 0 HG21 VAL A 17 -2.101 3.777 6.712 1.00 63.24 H new ATOM 0 HG22 VAL A 17 -1.297 3.695 8.298 1.00 63.24 H new ATOM 0 HG23 VAL A 17 -2.919 4.413 8.159 1.00 63.24 H new ATOM 271 N SER A 18 -1.127 8.833 8.261 1.00 61.11 N ATOM 272 CA SER A 18 -0.605 10.203 8.125 1.00 44.40 C ATOM 273 C SER A 18 -0.086 10.701 9.483 1.00 45.21 C ATOM 274 O SER A 18 0.912 11.425 9.551 1.00 45.25 O ATOM 275 CB SER A 18 -1.713 11.141 7.581 1.00 10.42 C ATOM 276 OG SER A 18 -1.235 12.454 7.351 1.00 13.31 O ATOM 0 H SER A 18 -2.135 8.767 8.123 1.00 61.11 H new ATOM 0 HA SER A 18 0.224 10.205 7.417 1.00 44.40 H new ATOM 0 HB2 SER A 18 -2.109 10.732 6.652 1.00 10.42 H new ATOM 0 HB3 SER A 18 -2.539 11.176 8.292 1.00 10.42 H new ATOM 0 HG SER A 18 -1.964 13.012 7.007 1.00 13.31 H new ATOM 282 N LYS A 19 -0.786 10.284 10.562 1.00 20.55 N ATOM 283 CA LYS A 19 -0.379 10.560 11.945 1.00 25.45 C ATOM 284 C LYS A 19 0.909 9.789 12.278 1.00 12.22 C ATOM 285 O LYS A 19 1.860 10.378 12.779 1.00 3.34 O ATOM 286 CB LYS A 19 -1.527 10.206 12.939 1.00 70.33 C ATOM 287 CG LYS A 19 -1.198 10.416 14.441 1.00 1.21 C ATOM 288 CD LYS A 19 -0.796 11.861 14.795 1.00 71.24 C ATOM 289 CE LYS A 19 -1.920 12.884 14.572 1.00 43.40 C ATOM 290 NZ LYS A 19 -1.460 14.263 14.897 1.00 40.21 N ATOM 0 H LYS A 19 -1.650 9.746 10.491 1.00 20.55 H new ATOM 0 HA LYS A 19 -0.174 11.626 12.048 1.00 25.45 H new ATOM 0 HB2 LYS A 19 -2.400 10.809 12.688 1.00 70.33 H new ATOM 0 HB3 LYS A 19 -1.806 9.163 12.788 1.00 70.33 H new ATOM 0 HG2 LYS A 19 -2.067 10.135 15.036 1.00 1.21 H new ATOM 0 HG3 LYS A 19 -0.387 9.744 14.723 1.00 1.21 H new ATOM 0 HD2 LYS A 19 -0.485 11.897 15.839 1.00 71.24 H new ATOM 0 HD3 LYS A 19 0.068 12.146 14.195 1.00 71.24 H new ATOM 0 HE2 LYS A 19 -2.253 12.843 13.535 1.00 43.40 H new ATOM 0 HE3 LYS A 19 -2.778 12.627 15.193 1.00 43.40 H new ATOM 0 HZ1 LYS A 19 -2.227 14.939 14.706 1.00 40.21 H new ATOM 0 HZ2 LYS A 19 -1.197 14.313 15.902 1.00 40.21 H new ATOM 0 HZ3 LYS A 19 -0.635 14.501 14.311 1.00 40.21 H new ATOM 304 N LYS A 20 0.941 8.483 11.941 1.00 21.40 N ATOM 305 CA LYS A 20 2.114 7.608 12.163 1.00 12.52 C ATOM 306 C LYS A 20 3.363 8.151 11.433 1.00 50.30 C ATOM 307 O LYS A 20 4.469 8.207 12.002 1.00 63.22 O ATOM 308 CB LYS A 20 1.772 6.164 11.686 1.00 11.21 C ATOM 309 CG LYS A 20 2.875 5.073 11.827 1.00 54.25 C ATOM 310 CD LYS A 20 3.188 4.629 13.290 1.00 20.41 C ATOM 311 CE LYS A 20 4.127 5.586 14.038 1.00 51.13 C ATOM 312 NZ LYS A 20 4.496 5.091 15.389 1.00 72.53 N ATOM 0 H LYS A 20 0.153 8.003 11.506 1.00 21.40 H new ATOM 0 HA LYS A 20 2.347 7.589 13.228 1.00 12.52 H new ATOM 0 HB2 LYS A 20 0.895 5.827 12.239 1.00 11.21 H new ATOM 0 HB3 LYS A 20 1.486 6.217 10.636 1.00 11.21 H new ATOM 0 HG2 LYS A 20 2.571 4.196 11.255 1.00 54.25 H new ATOM 0 HG3 LYS A 20 3.793 5.447 11.374 1.00 54.25 H new ATOM 0 HD2 LYS A 20 2.252 4.546 13.843 1.00 20.41 H new ATOM 0 HD3 LYS A 20 3.636 3.636 13.271 1.00 20.41 H new ATOM 0 HE2 LYS A 20 5.033 5.733 13.450 1.00 51.13 H new ATOM 0 HE3 LYS A 20 3.647 6.560 14.132 1.00 51.13 H new ATOM 0 HZ1 LYS A 20 4.832 5.885 15.970 1.00 72.53 H new ATOM 0 HZ2 LYS A 20 3.664 4.660 15.840 1.00 72.53 H new ATOM 0 HZ3 LYS A 20 5.251 4.381 15.304 1.00 72.53 H new ATOM 326 N ALA A 21 3.146 8.592 10.185 1.00 41.51 N ATOM 327 CA ALA A 21 4.181 9.207 9.346 1.00 64.12 C ATOM 328 C ALA A 21 4.736 10.471 10.014 1.00 12.54 C ATOM 329 O ALA A 21 5.944 10.647 10.105 1.00 44.40 O ATOM 330 CB ALA A 21 3.595 9.544 7.973 1.00 5.21 C ATOM 0 H ALA A 21 2.237 8.530 9.727 1.00 41.51 H new ATOM 0 HA ALA A 21 5.002 8.500 9.222 1.00 64.12 H new ATOM 0 HB1 ALA A 21 4.365 10.001 7.351 1.00 5.21 H new ATOM 0 HB2 ALA A 21 3.237 8.631 7.496 1.00 5.21 H new ATOM 0 HB3 ALA A 21 2.765 10.240 8.093 1.00 5.21 H new ATOM 336 N GLU A 22 3.818 11.308 10.513 1.00 1.03 N ATOM 337 CA GLU A 22 4.146 12.586 11.167 1.00 22.34 C ATOM 338 C GLU A 22 4.979 12.366 12.449 1.00 22.01 C ATOM 339 O GLU A 22 6.001 13.036 12.651 1.00 40.41 O ATOM 340 CB GLU A 22 2.823 13.341 11.463 1.00 63.23 C ATOM 341 CG GLU A 22 2.979 14.739 12.083 1.00 63.50 C ATOM 342 CD GLU A 22 1.626 15.437 12.291 1.00 54.40 C ATOM 343 OE1 GLU A 22 1.248 16.305 11.475 1.00 21.00 O ATOM 344 OE2 GLU A 22 0.913 15.095 13.258 1.00 74.01 O ATOM 0 H GLU A 22 2.817 11.118 10.475 1.00 1.03 H new ATOM 0 HA GLU A 22 4.764 13.190 10.502 1.00 22.34 H new ATOM 0 HB2 GLU A 22 2.264 13.437 10.532 1.00 63.23 H new ATOM 0 HB3 GLU A 22 2.220 12.731 12.135 1.00 63.23 H new ATOM 0 HG2 GLU A 22 3.493 14.654 13.040 1.00 63.50 H new ATOM 0 HG3 GLU A 22 3.607 15.353 11.437 1.00 63.50 H new ATOM 351 N GLU A 23 4.554 11.394 13.280 1.00 1.24 N ATOM 352 CA GLU A 23 5.237 11.068 14.548 1.00 55.52 C ATOM 353 C GLU A 23 6.694 10.616 14.325 1.00 41.24 C ATOM 354 O GLU A 23 7.594 11.029 15.065 1.00 0.11 O ATOM 355 CB GLU A 23 4.463 9.978 15.336 1.00 31.10 C ATOM 356 CG GLU A 23 3.001 10.337 15.688 1.00 4.35 C ATOM 357 CD GLU A 23 2.834 11.729 16.328 1.00 14.42 C ATOM 358 OE1 GLU A 23 3.060 11.861 17.550 1.00 2.32 O ATOM 359 OE2 GLU A 23 2.463 12.691 15.619 1.00 64.15 O ATOM 0 H GLU A 23 3.734 10.817 13.094 1.00 1.24 H new ATOM 0 HA GLU A 23 5.256 11.986 15.135 1.00 55.52 H new ATOM 0 HB2 GLU A 23 4.464 9.059 14.750 1.00 31.10 H new ATOM 0 HB3 GLU A 23 5.002 9.768 16.260 1.00 31.10 H new ATOM 0 HG2 GLU A 23 2.398 10.291 14.781 1.00 4.35 H new ATOM 0 HG3 GLU A 23 2.607 9.585 16.371 1.00 4.35 H new ATOM 366 N GLU A 24 6.914 9.763 13.304 1.00 44.32 N ATOM 367 CA GLU A 24 8.258 9.243 12.976 1.00 32.25 C ATOM 368 C GLU A 24 9.070 10.233 12.107 1.00 34.31 C ATOM 369 O GLU A 24 10.301 10.142 12.050 1.00 25.30 O ATOM 370 CB GLU A 24 8.149 7.888 12.244 1.00 53.50 C ATOM 371 CG GLU A 24 7.368 6.787 12.994 1.00 64.43 C ATOM 372 CD GLU A 24 7.889 6.486 14.414 1.00 52.30 C ATOM 373 OE1 GLU A 24 7.119 6.615 15.390 1.00 3.15 O ATOM 374 OE2 GLU A 24 9.075 6.116 14.552 1.00 62.23 O ATOM 0 H GLU A 24 6.176 9.418 12.690 1.00 44.32 H new ATOM 0 HA GLU A 24 8.786 9.111 13.920 1.00 32.25 H new ATOM 0 HB2 GLU A 24 7.671 8.054 11.278 1.00 53.50 H new ATOM 0 HB3 GLU A 24 9.156 7.522 12.043 1.00 53.50 H new ATOM 0 HG2 GLU A 24 6.321 7.083 13.060 1.00 64.43 H new ATOM 0 HG3 GLU A 24 7.403 5.870 12.406 1.00 64.43 H new ATOM 381 N GLY A 25 8.368 11.165 11.435 1.00 43.35 N ATOM 382 CA GLY A 25 8.997 12.129 10.522 1.00 44.35 C ATOM 383 C GLY A 25 9.299 11.543 9.137 1.00 73.44 C ATOM 384 O GLY A 25 10.340 11.843 8.538 1.00 44.20 O ATOM 0 H GLY A 25 7.356 11.268 11.511 1.00 43.35 H new ATOM 0 HA2 GLY A 25 8.342 12.993 10.409 1.00 44.35 H new ATOM 0 HA3 GLY A 25 9.925 12.489 10.967 1.00 44.35 H new ATOM 388 N TYR A 26 8.385 10.688 8.643 1.00 73.00 N ATOM 389 CA TYR A 26 8.436 10.119 7.281 1.00 22.50 C ATOM 390 C TYR A 26 7.708 11.032 6.284 1.00 14.45 C ATOM 391 O TYR A 26 6.617 11.536 6.582 1.00 51.44 O ATOM 392 CB TYR A 26 7.740 8.731 7.234 1.00 30.20 C ATOM 393 CG TYR A 26 8.366 7.625 8.082 1.00 53.44 C ATOM 394 CD1 TYR A 26 9.749 7.444 8.126 1.00 43.44 C ATOM 395 CD2 TYR A 26 7.567 6.730 8.807 1.00 21.14 C ATOM 396 CE1 TYR A 26 10.309 6.417 8.853 1.00 24.51 C ATOM 397 CE2 TYR A 26 8.129 5.701 9.536 1.00 34.42 C ATOM 398 CZ TYR A 26 9.496 5.555 9.560 1.00 72.40 C ATOM 399 OH TYR A 26 10.056 4.542 10.284 1.00 14.33 O ATOM 0 H TYR A 26 7.581 10.368 9.183 1.00 73.00 H new ATOM 0 HA TYR A 26 9.489 10.024 7.014 1.00 22.50 H new ATOM 0 HB2 TYR A 26 6.704 8.858 7.549 1.00 30.20 H new ATOM 0 HB3 TYR A 26 7.719 8.395 6.197 1.00 30.20 H new ATOM 0 HD1 TYR A 26 10.391 8.120 7.581 1.00 43.44 H new ATOM 0 HD2 TYR A 26 6.493 6.847 8.795 1.00 21.14 H new ATOM 0 HE1 TYR A 26 11.381 6.287 8.870 1.00 24.51 H new ATOM 0 HE2 TYR A 26 7.499 5.015 10.084 1.00 34.42 H new ATOM 0 HH TYR A 26 10.388 4.894 11.136 1.00 14.33 H new ATOM 409 N ASP A 27 8.300 11.208 5.094 1.00 51.13 N ATOM 410 CA ASP A 27 7.633 11.862 3.957 1.00 10.50 C ATOM 411 C ASP A 27 6.816 10.814 3.183 1.00 43.41 C ATOM 412 O ASP A 27 7.325 10.167 2.262 1.00 61.25 O ATOM 413 CB ASP A 27 8.669 12.544 3.025 1.00 23.45 C ATOM 414 CG ASP A 27 9.453 13.670 3.721 1.00 14.14 C ATOM 415 OD1 ASP A 27 8.915 14.787 3.851 1.00 75.32 O ATOM 416 OD2 ASP A 27 10.611 13.445 4.126 1.00 54.43 O ATOM 0 H ASP A 27 9.252 10.902 4.892 1.00 51.13 H new ATOM 0 HA ASP A 27 6.966 12.638 4.332 1.00 10.50 H new ATOM 0 HB2 ASP A 27 9.370 11.794 2.659 1.00 23.45 H new ATOM 0 HB3 ASP A 27 8.154 12.951 2.155 1.00 23.45 H new ATOM 421 N ILE A 28 5.568 10.592 3.618 1.00 43.13 N ATOM 422 CA ILE A 28 4.638 9.675 2.946 1.00 12.11 C ATOM 423 C ILE A 28 3.526 10.487 2.280 1.00 53.31 C ATOM 424 O ILE A 28 2.853 11.290 2.939 1.00 54.54 O ATOM 425 CB ILE A 28 3.999 8.641 3.938 1.00 51.24 C ATOM 426 CG1 ILE A 28 5.100 7.896 4.745 1.00 20.11 C ATOM 427 CG2 ILE A 28 3.103 7.640 3.176 1.00 5.31 C ATOM 428 CD1 ILE A 28 4.573 6.863 5.721 1.00 21.12 C ATOM 0 H ILE A 28 5.175 11.043 4.445 1.00 43.13 H new ATOM 0 HA ILE A 28 5.206 9.113 2.205 1.00 12.11 H new ATOM 0 HB ILE A 28 3.375 9.187 4.646 1.00 51.24 H new ATOM 0 HG12 ILE A 28 5.776 7.405 4.045 1.00 20.11 H new ATOM 0 HG13 ILE A 28 5.689 8.630 5.295 1.00 20.11 H new ATOM 0 HG21 ILE A 28 2.669 6.931 3.881 1.00 5.31 H new ATOM 0 HG22 ILE A 28 2.305 8.180 2.667 1.00 5.31 H new ATOM 0 HG23 ILE A 28 3.702 7.101 2.442 1.00 5.31 H new ATOM 0 HD11 ILE A 28 5.409 6.393 6.240 1.00 21.12 H new ATOM 0 HD12 ILE A 28 3.921 7.348 6.448 1.00 21.12 H new ATOM 0 HD13 ILE A 28 4.010 6.104 5.178 1.00 21.12 H new ATOM 440 N GLN A 29 3.342 10.279 0.976 1.00 13.03 N ATOM 441 CA GLN A 29 2.321 10.955 0.192 1.00 11.53 C ATOM 442 C GLN A 29 1.026 10.148 0.286 1.00 70.14 C ATOM 443 O GLN A 29 0.935 9.052 -0.269 1.00 3.20 O ATOM 444 CB GLN A 29 2.796 11.068 -1.273 1.00 23.34 C ATOM 445 CG GLN A 29 2.004 12.047 -2.153 1.00 21.13 C ATOM 446 CD GLN A 29 2.117 13.496 -1.670 1.00 42.43 C ATOM 447 OE1 GLN A 29 3.053 14.208 -2.031 1.00 34.10 O ATOM 448 NE2 GLN A 29 1.163 13.951 -0.878 1.00 33.43 N ATOM 0 H GLN A 29 3.908 9.627 0.432 1.00 13.03 H new ATOM 0 HA GLN A 29 2.143 11.961 0.573 1.00 11.53 H new ATOM 0 HB2 GLN A 29 3.843 11.371 -1.274 1.00 23.34 H new ATOM 0 HB3 GLN A 29 2.750 10.079 -1.729 1.00 23.34 H new ATOM 0 HG2 GLN A 29 2.365 11.981 -3.179 1.00 21.13 H new ATOM 0 HG3 GLN A 29 0.955 11.752 -2.164 1.00 21.13 H new ATOM 0 HE21 GLN A 29 0.399 13.337 -0.595 1.00 33.43 H new ATOM 0 HE22 GLN A 29 1.190 14.916 -0.549 1.00 33.43 H new ATOM 457 N THR A 30 0.039 10.684 0.991 1.00 22.21 N ATOM 458 CA THR A 30 -1.224 9.993 1.243 1.00 43.42 C ATOM 459 C THR A 30 -2.267 10.437 0.198 1.00 3.25 C ATOM 460 O THR A 30 -2.516 11.635 0.025 1.00 50.43 O ATOM 461 CB THR A 30 -1.701 10.283 2.704 1.00 52.22 C ATOM 462 OG1 THR A 30 -1.663 11.696 2.964 1.00 21.12 O ATOM 463 CG2 THR A 30 -0.837 9.555 3.757 1.00 21.02 C ATOM 0 H THR A 30 0.089 11.614 1.407 1.00 22.21 H new ATOM 0 HA THR A 30 -1.090 8.915 1.147 1.00 43.42 H new ATOM 0 HB THR A 30 -2.722 9.909 2.786 1.00 52.22 H new ATOM 0 HG1 THR A 30 -2.002 12.182 2.183 1.00 21.12 H new ATOM 0 HG21 THR A 30 -1.207 9.788 4.755 1.00 21.02 H new ATOM 0 HG22 THR A 30 -0.891 8.479 3.591 1.00 21.02 H new ATOM 0 HG23 THR A 30 0.198 9.884 3.668 1.00 21.02 H new ATOM 471 N SER A 31 -2.861 9.456 -0.503 1.00 2.42 N ATOM 472 CA SER A 31 -3.745 9.690 -1.659 1.00 74.22 C ATOM 473 C SER A 31 -4.913 8.688 -1.649 1.00 70.32 C ATOM 474 O SER A 31 -4.804 7.590 -1.081 1.00 40.04 O ATOM 475 CB SER A 31 -2.929 9.582 -2.976 1.00 75.14 C ATOM 476 OG SER A 31 -1.865 10.528 -3.011 1.00 50.13 O ATOM 0 H SER A 31 -2.740 8.468 -0.281 1.00 2.42 H new ATOM 0 HA SER A 31 -4.163 10.694 -1.594 1.00 74.22 H new ATOM 0 HB2 SER A 31 -2.525 8.574 -3.073 1.00 75.14 H new ATOM 0 HB3 SER A 31 -3.589 9.744 -3.828 1.00 75.14 H new ATOM 0 HG SER A 31 -1.370 10.433 -3.852 1.00 50.13 H new ATOM 482 N ASN A 32 -6.032 9.090 -2.276 1.00 35.30 N ATOM 483 CA ASN A 32 -7.267 8.292 -2.354 1.00 74.11 C ATOM 484 C ASN A 32 -7.498 7.805 -3.794 1.00 41.24 C ATOM 485 O ASN A 32 -7.954 6.672 -4.010 1.00 54.45 O ATOM 486 CB ASN A 32 -8.475 9.141 -1.865 1.00 22.54 C ATOM 487 CG ASN A 32 -9.820 8.391 -1.848 1.00 70.50 C ATOM 488 OD1 ASN A 32 -10.874 8.972 -2.121 1.00 33.32 O ATOM 489 ND2 ASN A 32 -9.807 7.107 -1.504 1.00 21.22 N ATOM 0 H ASN A 32 -6.105 9.991 -2.749 1.00 35.30 H new ATOM 0 HA ASN A 32 -7.167 7.419 -1.709 1.00 74.11 H new ATOM 0 HB2 ASN A 32 -8.264 9.504 -0.859 1.00 22.54 H new ATOM 0 HB3 ASN A 32 -8.570 10.017 -2.507 1.00 22.54 H new ATOM 0 HD21 ASN A 32 -10.680 6.582 -1.462 1.00 21.22 H new ATOM 0 HD22 ASN A 32 -8.924 6.647 -1.283 1.00 21.22 H new ATOM 496 N ASP A 33 -7.183 8.673 -4.777 1.00 22.13 N ATOM 497 CA ASP A 33 -7.399 8.371 -6.204 1.00 13.14 C ATOM 498 C ASP A 33 -6.273 7.457 -6.733 1.00 73.32 C ATOM 499 O ASP A 33 -5.144 7.906 -6.960 1.00 64.15 O ATOM 500 CB ASP A 33 -7.520 9.682 -7.033 1.00 32.23 C ATOM 501 CG ASP A 33 -7.932 9.443 -8.498 1.00 41.13 C ATOM 502 OD1 ASP A 33 -9.122 9.150 -8.753 1.00 23.31 O ATOM 503 OD2 ASP A 33 -7.086 9.569 -9.405 1.00 44.54 O ATOM 0 H ASP A 33 -6.776 9.593 -4.606 1.00 22.13 H new ATOM 0 HA ASP A 33 -8.341 7.834 -6.313 1.00 13.14 H new ATOM 0 HB2 ASP A 33 -8.252 10.336 -6.560 1.00 32.23 H new ATOM 0 HB3 ASP A 33 -6.564 10.206 -7.013 1.00 32.23 H new ATOM 508 N LYS A 34 -6.597 6.157 -6.881 1.00 63.14 N ATOM 509 CA LYS A 34 -5.650 5.125 -7.350 1.00 40.51 C ATOM 510 C LYS A 34 -5.288 5.315 -8.830 1.00 11.25 C ATOM 511 O LYS A 34 -4.214 4.909 -9.255 1.00 65.32 O ATOM 512 CB LYS A 34 -6.250 3.715 -7.118 1.00 73.55 C ATOM 513 CG LYS A 34 -7.512 3.433 -7.948 1.00 3.42 C ATOM 514 CD LYS A 34 -8.240 2.135 -7.540 1.00 41.12 C ATOM 515 CE LYS A 34 -9.530 1.935 -8.346 1.00 24.14 C ATOM 516 NZ LYS A 34 -10.352 0.825 -7.815 1.00 74.00 N ATOM 0 H LYS A 34 -7.527 5.791 -6.678 1.00 63.14 H new ATOM 0 HA LYS A 34 -4.730 5.226 -6.774 1.00 40.51 H new ATOM 0 HB2 LYS A 34 -5.495 2.966 -7.356 1.00 73.55 H new ATOM 0 HB3 LYS A 34 -6.489 3.602 -6.061 1.00 73.55 H new ATOM 0 HG2 LYS A 34 -8.199 4.273 -7.846 1.00 3.42 H new ATOM 0 HG3 LYS A 34 -7.238 3.371 -9.001 1.00 3.42 H new ATOM 0 HD2 LYS A 34 -7.578 1.282 -7.693 1.00 41.12 H new ATOM 0 HD3 LYS A 34 -8.476 2.168 -6.476 1.00 41.12 H new ATOM 0 HE2 LYS A 34 -10.113 2.856 -8.331 1.00 24.14 H new ATOM 0 HE3 LYS A 34 -9.279 1.733 -9.387 1.00 24.14 H new ATOM 0 HZ1 LYS A 34 -10.941 0.434 -8.578 1.00 74.00 H new ATOM 0 HZ2 LYS A 34 -9.730 0.080 -7.441 1.00 74.00 H new ATOM 0 HZ3 LYS A 34 -10.964 1.180 -7.052 1.00 74.00 H new ATOM 530 N LYS A 35 -6.201 5.951 -9.594 1.00 20.13 N ATOM 531 CA LYS A 35 -6.009 6.235 -11.030 1.00 14.23 C ATOM 532 C LYS A 35 -4.801 7.164 -11.249 1.00 35.40 C ATOM 533 O LYS A 35 -4.019 6.977 -12.191 1.00 51.15 O ATOM 534 CB LYS A 35 -7.297 6.870 -11.609 1.00 13.24 C ATOM 535 CG LYS A 35 -8.539 5.947 -11.599 1.00 25.12 C ATOM 536 CD LYS A 35 -8.368 4.677 -12.470 1.00 23.12 C ATOM 537 CE LYS A 35 -8.047 4.995 -13.947 1.00 3.03 C ATOM 538 NZ LYS A 35 -9.084 5.846 -14.595 1.00 61.42 N ATOM 0 H LYS A 35 -7.094 6.283 -9.230 1.00 20.13 H new ATOM 0 HA LYS A 35 -5.807 5.299 -11.550 1.00 14.23 H new ATOM 0 HB2 LYS A 35 -7.527 7.771 -11.041 1.00 13.24 H new ATOM 0 HB3 LYS A 35 -7.102 7.181 -12.635 1.00 13.24 H new ATOM 0 HG2 LYS A 35 -8.753 5.649 -10.573 1.00 25.12 H new ATOM 0 HG3 LYS A 35 -9.403 6.509 -11.954 1.00 25.12 H new ATOM 0 HD2 LYS A 35 -7.569 4.063 -12.054 1.00 23.12 H new ATOM 0 HD3 LYS A 35 -9.282 4.085 -12.422 1.00 23.12 H new ATOM 0 HE2 LYS A 35 -7.083 5.500 -14.003 1.00 3.03 H new ATOM 0 HE3 LYS A 35 -7.951 4.062 -14.502 1.00 3.03 H new ATOM 0 HZ1 LYS A 35 -8.825 6.013 -15.588 1.00 61.42 H new ATOM 0 HZ2 LYS A 35 -10.004 5.364 -14.553 1.00 61.42 H new ATOM 0 HZ3 LYS A 35 -9.147 6.756 -14.096 1.00 61.42 H new ATOM 552 N GLU A 36 -4.668 8.152 -10.346 1.00 41.34 N ATOM 553 CA GLU A 36 -3.510 9.050 -10.285 1.00 11.54 C ATOM 554 C GLU A 36 -2.234 8.236 -10.049 1.00 73.02 C ATOM 555 O GLU A 36 -1.258 8.366 -10.776 1.00 52.42 O ATOM 556 CB GLU A 36 -3.694 10.065 -9.127 1.00 14.34 C ATOM 557 CG GLU A 36 -2.586 11.128 -9.021 1.00 2.43 C ATOM 558 CD GLU A 36 -2.696 11.998 -7.762 1.00 40.41 C ATOM 559 OE1 GLU A 36 -3.749 12.642 -7.562 1.00 41.14 O ATOM 560 OE2 GLU A 36 -1.718 12.062 -6.980 1.00 3.42 O ATOM 0 H GLU A 36 -5.370 8.348 -9.633 1.00 41.34 H new ATOM 0 HA GLU A 36 -3.427 9.588 -11.230 1.00 11.54 H new ATOM 0 HB2 GLU A 36 -4.652 10.570 -9.253 1.00 14.34 H new ATOM 0 HB3 GLU A 36 -3.744 9.517 -8.186 1.00 14.34 H new ATOM 0 HG2 GLU A 36 -1.615 10.632 -9.028 1.00 2.43 H new ATOM 0 HG3 GLU A 36 -2.622 11.769 -9.901 1.00 2.43 H new ATOM 567 N ILE A 37 -2.320 7.348 -9.050 1.00 13.21 N ATOM 568 CA ILE A 37 -1.188 6.561 -8.542 1.00 53.30 C ATOM 569 C ILE A 37 -0.633 5.581 -9.607 1.00 75.54 C ATOM 570 O ILE A 37 0.583 5.421 -9.718 1.00 32.11 O ATOM 571 CB ILE A 37 -1.628 5.814 -7.230 1.00 55.52 C ATOM 572 CG1 ILE A 37 -2.041 6.849 -6.125 1.00 3.30 C ATOM 573 CG2 ILE A 37 -0.548 4.850 -6.715 1.00 4.15 C ATOM 574 CD1 ILE A 37 -0.968 7.870 -5.750 1.00 12.35 C ATOM 0 H ILE A 37 -3.195 7.153 -8.563 1.00 13.21 H new ATOM 0 HA ILE A 37 -0.367 7.239 -8.307 1.00 53.30 H new ATOM 0 HB ILE A 37 -2.496 5.202 -7.477 1.00 55.52 H new ATOM 0 HG12 ILE A 37 -2.926 7.386 -6.467 1.00 3.30 H new ATOM 0 HG13 ILE A 37 -2.327 6.301 -5.227 1.00 3.30 H new ATOM 0 HG21 ILE A 37 -0.901 4.359 -5.808 1.00 4.15 H new ATOM 0 HG22 ILE A 37 -0.338 4.098 -7.476 1.00 4.15 H new ATOM 0 HG23 ILE A 37 0.363 5.407 -6.495 1.00 4.15 H new ATOM 0 HD11 ILE A 37 -1.354 8.537 -4.980 1.00 12.35 H new ATOM 0 HD12 ILE A 37 -0.088 7.350 -5.372 1.00 12.35 H new ATOM 0 HD13 ILE A 37 -0.696 8.452 -6.631 1.00 12.35 H new ATOM 586 N ILE A 38 -1.540 4.975 -10.402 1.00 5.23 N ATOM 587 CA ILE A 38 -1.191 4.100 -11.548 1.00 71.04 C ATOM 588 C ILE A 38 -0.337 4.886 -12.574 1.00 21.12 C ATOM 589 O ILE A 38 0.685 4.388 -13.077 1.00 71.32 O ATOM 590 CB ILE A 38 -2.512 3.539 -12.226 1.00 75.45 C ATOM 591 CG1 ILE A 38 -3.261 2.566 -11.248 1.00 45.22 C ATOM 592 CG2 ILE A 38 -2.241 2.860 -13.595 1.00 54.02 C ATOM 593 CD1 ILE A 38 -4.631 2.096 -11.725 1.00 71.32 C ATOM 0 H ILE A 38 -2.546 5.079 -10.267 1.00 5.23 H new ATOM 0 HA ILE A 38 -0.604 3.255 -11.188 1.00 71.04 H new ATOM 0 HB ILE A 38 -3.156 4.395 -12.430 1.00 75.45 H new ATOM 0 HG12 ILE A 38 -2.633 1.691 -11.079 1.00 45.22 H new ATOM 0 HG13 ILE A 38 -3.380 3.064 -10.286 1.00 45.22 H new ATOM 0 HG21 ILE A 38 -3.180 2.495 -14.012 1.00 54.02 H new ATOM 0 HG22 ILE A 38 -1.797 3.584 -14.278 1.00 54.02 H new ATOM 0 HG23 ILE A 38 -1.556 2.023 -13.457 1.00 54.02 H new ATOM 0 HD11 ILE A 38 -5.066 1.429 -10.981 1.00 71.32 H new ATOM 0 HD12 ILE A 38 -5.283 2.958 -11.865 1.00 71.32 H new ATOM 0 HD13 ILE A 38 -4.524 1.564 -12.671 1.00 71.32 H new ATOM 605 N ASP A 39 -0.754 6.144 -12.813 1.00 42.23 N ATOM 606 CA ASP A 39 -0.078 7.066 -13.739 1.00 11.22 C ATOM 607 C ASP A 39 1.286 7.515 -13.171 1.00 14.30 C ATOM 608 O ASP A 39 2.232 7.721 -13.923 1.00 32.14 O ATOM 609 CB ASP A 39 -0.980 8.295 -14.033 1.00 52.42 C ATOM 610 CG ASP A 39 -0.408 9.218 -15.127 1.00 21.12 C ATOM 611 OD1 ASP A 39 -0.486 8.862 -16.316 1.00 62.24 O ATOM 612 OD2 ASP A 39 0.113 10.299 -14.815 1.00 3.42 O ATOM 0 H ASP A 39 -1.575 6.550 -12.365 1.00 42.23 H new ATOM 0 HA ASP A 39 0.104 6.538 -14.675 1.00 11.22 H new ATOM 0 HB2 ASP A 39 -1.967 7.949 -14.338 1.00 52.42 H new ATOM 0 HB3 ASP A 39 -1.113 8.868 -13.115 1.00 52.42 H new ATOM 617 N ARG A 40 1.379 7.633 -11.828 1.00 1.12 N ATOM 618 CA ARG A 40 2.635 8.024 -11.145 1.00 3.04 C ATOM 619 C ARG A 40 3.645 6.865 -11.161 1.00 50.01 C ATOM 620 O ARG A 40 4.854 7.089 -11.203 1.00 22.33 O ATOM 621 CB ARG A 40 2.366 8.487 -9.689 1.00 11.31 C ATOM 622 CG ARG A 40 1.363 9.652 -9.581 1.00 2.32 C ATOM 623 CD ARG A 40 1.209 10.191 -8.149 1.00 34.51 C ATOM 624 NE ARG A 40 2.397 10.956 -7.725 1.00 21.34 N ATOM 625 CZ ARG A 40 2.370 12.185 -7.175 1.00 44.32 C ATOM 626 NH1 ARG A 40 1.213 12.818 -6.958 1.00 41.32 N ATOM 627 NH2 ARG A 40 3.511 12.788 -6.866 1.00 13.42 N ATOM 0 H ARG A 40 0.599 7.463 -11.194 1.00 1.12 H new ATOM 0 HA ARG A 40 3.061 8.865 -11.692 1.00 3.04 H new ATOM 0 HB2 ARG A 40 1.990 7.642 -9.113 1.00 11.31 H new ATOM 0 HB3 ARG A 40 3.309 8.789 -9.234 1.00 11.31 H new ATOM 0 HG2 ARG A 40 1.686 10.463 -10.234 1.00 2.32 H new ATOM 0 HG3 ARG A 40 0.390 9.320 -9.943 1.00 2.32 H new ATOM 0 HD2 ARG A 40 0.326 10.828 -8.093 1.00 34.51 H new ATOM 0 HD3 ARG A 40 1.047 9.360 -7.463 1.00 34.51 H new ATOM 0 HE ARG A 40 3.310 10.520 -7.859 1.00 21.34 H new ATOM 0 HH11 ARG A 40 0.332 12.370 -7.210 1.00 41.32 H new ATOM 0 HH12 ARG A 40 1.211 13.749 -6.540 1.00 41.32 H new ATOM 0 HH21 ARG A 40 4.400 12.321 -7.045 1.00 13.42 H new ATOM 0 HH22 ARG A 40 3.499 13.719 -6.449 1.00 13.42 H new ATOM 641 N LEU A 41 3.135 5.627 -11.131 1.00 61.22 N ATOM 642 CA LEU A 41 3.955 4.416 -11.302 1.00 4.01 C ATOM 643 C LEU A 41 4.498 4.346 -12.751 1.00 43.44 C ATOM 644 O LEU A 41 5.622 3.883 -12.969 1.00 45.34 O ATOM 645 CB LEU A 41 3.122 3.161 -10.913 1.00 64.44 C ATOM 646 CG LEU A 41 2.718 3.060 -9.398 1.00 32.21 C ATOM 647 CD1 LEU A 41 1.624 1.990 -9.161 1.00 60.21 C ATOM 648 CD2 LEU A 41 3.961 2.802 -8.521 1.00 72.14 C ATOM 0 H LEU A 41 2.144 5.435 -10.988 1.00 61.22 H new ATOM 0 HA LEU A 41 4.819 4.450 -10.639 1.00 4.01 H new ATOM 0 HB2 LEU A 41 2.213 3.149 -11.515 1.00 64.44 H new ATOM 0 HB3 LEU A 41 3.692 2.271 -11.179 1.00 64.44 H new ATOM 0 HG LEU A 41 2.288 4.018 -9.105 1.00 32.21 H new ATOM 0 HD11 LEU A 41 1.375 1.953 -8.101 1.00 60.21 H new ATOM 0 HD12 LEU A 41 0.733 2.247 -9.735 1.00 60.21 H new ATOM 0 HD13 LEU A 41 1.993 1.015 -9.481 1.00 60.21 H new ATOM 0 HD21 LEU A 41 3.661 2.735 -7.475 1.00 72.14 H new ATOM 0 HD22 LEU A 41 4.432 1.867 -8.824 1.00 72.14 H new ATOM 0 HD23 LEU A 41 4.669 3.621 -8.644 1.00 72.14 H new ATOM 660 N LYS A 42 3.703 4.863 -13.725 1.00 43.12 N ATOM 661 CA LYS A 42 4.169 5.068 -15.127 1.00 2.44 C ATOM 662 C LYS A 42 5.285 6.145 -15.191 1.00 25.11 C ATOM 663 O LYS A 42 6.231 6.022 -15.977 1.00 75.05 O ATOM 664 CB LYS A 42 3.002 5.495 -16.061 1.00 54.35 C ATOM 665 CG LYS A 42 1.846 4.485 -16.177 1.00 35.13 C ATOM 666 CD LYS A 42 0.719 5.001 -17.100 1.00 41.23 C ATOM 667 CE LYS A 42 -0.465 4.033 -17.191 1.00 52.41 C ATOM 668 NZ LYS A 42 -1.504 4.530 -18.131 1.00 13.42 N ATOM 0 H LYS A 42 2.736 5.146 -13.567 1.00 43.12 H new ATOM 0 HA LYS A 42 4.565 4.112 -15.470 1.00 2.44 H new ATOM 0 HB2 LYS A 42 2.600 6.442 -15.702 1.00 54.35 H new ATOM 0 HB3 LYS A 42 3.405 5.677 -17.057 1.00 54.35 H new ATOM 0 HG2 LYS A 42 2.227 3.540 -16.564 1.00 35.13 H new ATOM 0 HG3 LYS A 42 1.440 4.283 -15.186 1.00 35.13 H new ATOM 0 HD2 LYS A 42 0.367 5.965 -16.732 1.00 41.23 H new ATOM 0 HD3 LYS A 42 1.122 5.169 -18.099 1.00 41.23 H new ATOM 0 HE2 LYS A 42 -0.113 3.055 -17.520 1.00 52.41 H new ATOM 0 HE3 LYS A 42 -0.903 3.898 -16.202 1.00 52.41 H new ATOM 0 HZ1 LYS A 42 -2.291 3.851 -18.169 1.00 13.42 H new ATOM 0 HZ2 LYS A 42 -1.857 5.451 -17.803 1.00 13.42 H new ATOM 0 HZ3 LYS A 42 -1.092 4.635 -19.080 1.00 13.42 H new ATOM 682 N ARG A 43 5.161 7.197 -14.340 1.00 71.24 N ATOM 683 CA ARG A 43 6.167 8.285 -14.232 1.00 2.40 C ATOM 684 C ARG A 43 7.451 7.785 -13.545 1.00 42.12 C ATOM 685 O ARG A 43 8.462 8.503 -13.535 1.00 61.21 O ATOM 686 CB ARG A 43 5.616 9.496 -13.411 1.00 62.13 C ATOM 687 CG ARG A 43 4.321 10.133 -13.955 1.00 40.31 C ATOM 688 CD ARG A 43 3.784 11.264 -13.045 1.00 21.03 C ATOM 689 NE ARG A 43 2.373 11.572 -13.323 1.00 22.23 N ATOM 690 CZ ARG A 43 1.547 12.242 -12.501 1.00 30.45 C ATOM 691 NH1 ARG A 43 1.972 12.706 -11.321 1.00 71.31 N ATOM 692 NH2 ARG A 43 0.277 12.407 -12.852 1.00 13.22 N ATOM 0 H ARG A 43 4.365 7.314 -13.713 1.00 71.24 H new ATOM 0 HA ARG A 43 6.389 8.605 -15.250 1.00 2.40 H new ATOM 0 HB2 ARG A 43 5.436 9.167 -12.388 1.00 62.13 H new ATOM 0 HB3 ARG A 43 6.388 10.264 -13.368 1.00 62.13 H new ATOM 0 HG2 ARG A 43 4.508 10.532 -14.952 1.00 40.31 H new ATOM 0 HG3 ARG A 43 3.557 9.362 -14.059 1.00 40.31 H new ATOM 0 HD2 ARG A 43 3.892 10.971 -12.001 1.00 21.03 H new ATOM 0 HD3 ARG A 43 4.386 12.161 -13.188 1.00 21.03 H new ATOM 0 HE ARG A 43 1.990 11.251 -14.212 1.00 22.23 H new ATOM 0 HH11 ARG A 43 2.938 12.554 -11.031 1.00 71.31 H new ATOM 0 HH12 ARG A 43 1.330 13.212 -10.711 1.00 71.31 H new ATOM 0 HH21 ARG A 43 -0.061 12.027 -13.736 1.00 13.22 H new ATOM 0 HH22 ARG A 43 -0.360 12.913 -12.237 1.00 13.22 H new ATOM 706 N ARG A 44 7.368 6.568 -12.926 1.00 54.15 N ATOM 707 CA ARG A 44 8.443 5.964 -12.095 1.00 64.14 C ATOM 708 C ARG A 44 8.661 6.835 -10.830 1.00 44.52 C ATOM 709 O ARG A 44 9.687 6.736 -10.147 1.00 64.42 O ATOM 710 CB ARG A 44 9.748 5.772 -12.933 1.00 42.50 C ATOM 711 CG ARG A 44 9.537 5.025 -14.281 1.00 4.10 C ATOM 712 CD ARG A 44 9.371 3.505 -14.135 1.00 31.40 C ATOM 713 NE ARG A 44 10.646 2.860 -13.774 1.00 64.51 N ATOM 714 CZ ARG A 44 11.127 1.717 -14.289 1.00 71.52 C ATOM 715 NH1 ARG A 44 10.449 1.040 -15.224 1.00 34.32 N ATOM 716 NH2 ARG A 44 12.299 1.263 -13.866 1.00 61.11 N ATOM 0 H ARG A 44 6.540 5.977 -12.995 1.00 54.15 H new ATOM 0 HA ARG A 44 8.145 4.969 -11.766 1.00 64.14 H new ATOM 0 HB2 ARG A 44 10.182 6.751 -13.137 1.00 42.50 H new ATOM 0 HB3 ARG A 44 10.473 5.220 -12.334 1.00 42.50 H new ATOM 0 HG2 ARG A 44 8.654 5.431 -14.775 1.00 4.10 H new ATOM 0 HG3 ARG A 44 10.387 5.226 -14.933 1.00 4.10 H new ATOM 0 HD2 ARG A 44 8.623 3.290 -13.372 1.00 31.40 H new ATOM 0 HD3 ARG A 44 9.001 3.086 -15.071 1.00 31.40 H new ATOM 0 HE ARG A 44 11.216 3.325 -13.067 1.00 64.51 H new ATOM 0 HH11 ARG A 44 9.551 1.391 -15.557 1.00 34.32 H new ATOM 0 HH12 ARG A 44 10.831 0.173 -15.603 1.00 34.32 H new ATOM 0 HH21 ARG A 44 12.821 1.781 -13.159 1.00 61.11 H new ATOM 0 HH22 ARG A 44 12.678 0.396 -14.247 1.00 61.11 H new ATOM 730 N ASN A 45 7.622 7.649 -10.536 1.00 60.53 N ATOM 731 CA ASN A 45 7.609 8.696 -9.507 1.00 22.32 C ATOM 732 C ASN A 45 7.667 8.102 -8.102 1.00 50.20 C ATOM 733 O ASN A 45 8.216 8.714 -7.202 1.00 41.11 O ATOM 734 CB ASN A 45 6.321 9.552 -9.692 1.00 44.05 C ATOM 735 CG ASN A 45 6.150 10.685 -8.675 1.00 24.00 C ATOM 736 OD1 ASN A 45 5.459 10.544 -7.660 1.00 71.03 O ATOM 737 ND2 ASN A 45 6.799 11.808 -8.931 1.00 14.33 N ATOM 0 H ASN A 45 6.735 7.586 -11.035 1.00 60.53 H new ATOM 0 HA ASN A 45 8.493 9.323 -9.621 1.00 22.32 H new ATOM 0 HB2 ASN A 45 6.327 9.980 -10.694 1.00 44.05 H new ATOM 0 HB3 ASN A 45 5.453 8.895 -9.632 1.00 44.05 H new ATOM 0 HD21 ASN A 45 6.738 12.592 -8.281 1.00 14.33 H new ATOM 0 HD22 ASN A 45 7.361 11.891 -9.778 1.00 14.33 H new ATOM 744 N ILE A 46 7.103 6.894 -7.941 1.00 42.40 N ATOM 745 CA ILE A 46 6.956 6.235 -6.632 1.00 33.01 C ATOM 746 C ILE A 46 8.047 5.164 -6.465 1.00 5.43 C ATOM 747 O ILE A 46 8.145 4.242 -7.288 1.00 41.02 O ATOM 748 CB ILE A 46 5.531 5.587 -6.478 1.00 24.34 C ATOM 749 CG1 ILE A 46 4.423 6.645 -6.787 1.00 31.34 C ATOM 750 CG2 ILE A 46 5.345 4.975 -5.067 1.00 40.45 C ATOM 751 CD1 ILE A 46 2.996 6.139 -6.672 1.00 12.11 C ATOM 0 H ILE A 46 6.735 6.345 -8.717 1.00 42.40 H new ATOM 0 HA ILE A 46 7.066 6.990 -5.853 1.00 33.01 H new ATOM 0 HB ILE A 46 5.441 4.774 -7.199 1.00 24.34 H new ATOM 0 HG12 ILE A 46 4.548 7.488 -6.108 1.00 31.34 H new ATOM 0 HG13 ILE A 46 4.577 7.024 -7.797 1.00 31.34 H new ATOM 0 HG21 ILE A 46 4.351 4.534 -4.990 1.00 40.45 H new ATOM 0 HG22 ILE A 46 6.098 4.204 -4.903 1.00 40.45 H new ATOM 0 HG23 ILE A 46 5.455 5.756 -4.314 1.00 40.45 H new ATOM 0 HD11 ILE A 46 2.303 6.948 -6.906 1.00 12.11 H new ATOM 0 HD12 ILE A 46 2.844 5.317 -7.372 1.00 12.11 H new ATOM 0 HD13 ILE A 46 2.815 5.788 -5.656 1.00 12.11 H new ATOM 763 N ASP A 47 8.881 5.314 -5.420 1.00 15.24 N ATOM 764 CA ASP A 47 9.957 4.350 -5.105 1.00 22.13 C ATOM 765 C ASP A 47 9.402 3.143 -4.349 1.00 51.30 C ATOM 766 O ASP A 47 9.785 1.991 -4.611 1.00 51.23 O ATOM 767 CB ASP A 47 11.073 5.027 -4.276 1.00 54.31 C ATOM 768 CG ASP A 47 12.234 4.070 -3.920 1.00 15.22 C ATOM 769 OD1 ASP A 47 12.318 3.600 -2.762 1.00 23.24 O ATOM 770 OD2 ASP A 47 13.063 3.768 -4.803 1.00 73.33 O ATOM 0 H ASP A 47 8.831 6.101 -4.773 1.00 15.24 H new ATOM 0 HA ASP A 47 10.382 4.004 -6.047 1.00 22.13 H new ATOM 0 HB2 ASP A 47 11.468 5.875 -4.835 1.00 54.31 H new ATOM 0 HB3 ASP A 47 10.643 5.424 -3.356 1.00 54.31 H new ATOM 775 N MET A 48 8.509 3.423 -3.398 1.00 61.24 N ATOM 776 CA MET A 48 7.885 2.403 -2.556 1.00 12.25 C ATOM 777 C MET A 48 6.471 2.853 -2.174 1.00 33.11 C ATOM 778 O MET A 48 6.240 4.031 -1.876 1.00 24.32 O ATOM 779 CB MET A 48 8.766 2.107 -1.309 1.00 11.13 C ATOM 780 CG MET A 48 9.043 3.302 -0.383 1.00 72.41 C ATOM 781 SD MET A 48 10.335 2.966 0.840 1.00 32.53 S ATOM 782 CE MET A 48 9.771 1.434 1.575 1.00 61.10 C ATOM 0 H MET A 48 8.197 4.371 -3.190 1.00 61.24 H new ATOM 0 HA MET A 48 7.803 1.468 -3.111 1.00 12.25 H new ATOM 0 HB2 MET A 48 8.283 1.324 -0.725 1.00 11.13 H new ATOM 0 HB3 MET A 48 9.721 1.707 -1.650 1.00 11.13 H new ATOM 0 HG2 MET A 48 9.336 4.161 -0.986 1.00 72.41 H new ATOM 0 HG3 MET A 48 8.123 3.574 0.134 1.00 72.41 H new ATOM 0 HE1 MET A 48 10.177 1.343 2.583 1.00 61.10 H new ATOM 0 HE2 MET A 48 8.682 1.432 1.621 1.00 61.10 H new ATOM 0 HE3 MET A 48 10.111 0.593 0.970 1.00 61.10 H new ATOM 792 N ILE A 49 5.524 1.908 -2.195 1.00 62.43 N ATOM 793 CA ILE A 49 4.090 2.202 -2.070 1.00 2.31 C ATOM 794 C ILE A 49 3.404 1.186 -1.149 1.00 40.55 C ATOM 795 O ILE A 49 3.814 0.026 -1.074 1.00 1.00 O ATOM 796 CB ILE A 49 3.399 2.229 -3.489 1.00 21.14 C ATOM 797 CG1 ILE A 49 1.879 2.572 -3.388 1.00 33.22 C ATOM 798 CG2 ILE A 49 3.633 0.908 -4.258 1.00 64.44 C ATOM 799 CD1 ILE A 49 1.153 2.614 -4.718 1.00 31.05 C ATOM 0 H ILE A 49 5.730 0.915 -2.299 1.00 62.43 H new ATOM 0 HA ILE A 49 3.984 3.190 -1.622 1.00 2.31 H new ATOM 0 HB ILE A 49 3.870 3.028 -4.061 1.00 21.14 H new ATOM 0 HG12 ILE A 49 1.395 1.834 -2.748 1.00 33.22 H new ATOM 0 HG13 ILE A 49 1.770 3.540 -2.898 1.00 33.22 H new ATOM 0 HG21 ILE A 49 3.143 0.961 -5.230 1.00 64.44 H new ATOM 0 HG22 ILE A 49 4.703 0.753 -4.398 1.00 64.44 H new ATOM 0 HG23 ILE A 49 3.218 0.077 -3.688 1.00 64.44 H new ATOM 0 HD11 ILE A 49 0.104 2.859 -4.552 1.00 31.05 H new ATOM 0 HD12 ILE A 49 1.606 3.372 -5.356 1.00 31.05 H new ATOM 0 HD13 ILE A 49 1.226 1.641 -5.203 1.00 31.05 H new ATOM 811 N ILE A 50 2.382 1.653 -0.418 1.00 3.14 N ATOM 812 CA ILE A 50 1.575 0.839 0.501 1.00 12.30 C ATOM 813 C ILE A 50 0.089 1.086 0.191 1.00 31.12 C ATOM 814 O ILE A 50 -0.400 2.203 0.367 1.00 55.52 O ATOM 815 CB ILE A 50 1.895 1.210 2.001 1.00 65.03 C ATOM 816 CG1 ILE A 50 3.425 1.052 2.289 1.00 4.11 C ATOM 817 CG2 ILE A 50 1.044 0.370 2.978 1.00 52.53 C ATOM 818 CD1 ILE A 50 3.878 1.528 3.653 1.00 61.22 C ATOM 0 H ILE A 50 2.087 2.629 -0.450 1.00 3.14 H new ATOM 0 HA ILE A 50 1.813 -0.216 0.364 1.00 12.30 H new ATOM 0 HB ILE A 50 1.629 2.255 2.160 1.00 65.03 H new ATOM 0 HG12 ILE A 50 3.692 0.001 2.182 1.00 4.11 H new ATOM 0 HG13 ILE A 50 3.980 1.601 1.528 1.00 4.11 H new ATOM 0 HG21 ILE A 50 1.287 0.648 4.004 1.00 52.53 H new ATOM 0 HG22 ILE A 50 -0.014 0.557 2.792 1.00 52.53 H new ATOM 0 HG23 ILE A 50 1.257 -0.688 2.829 1.00 52.53 H new ATOM 0 HD11 ILE A 50 4.953 1.375 3.753 1.00 61.22 H new ATOM 0 HD12 ILE A 50 3.650 2.588 3.762 1.00 61.22 H new ATOM 0 HD13 ILE A 50 3.358 0.963 4.427 1.00 61.22 H new ATOM 830 N VAL A 51 -0.608 0.053 -0.306 1.00 64.34 N ATOM 831 CA VAL A 51 -2.013 0.146 -0.732 1.00 1.12 C ATOM 832 C VAL A 51 -2.910 -0.605 0.260 1.00 63.01 C ATOM 833 O VAL A 51 -2.838 -1.835 0.355 1.00 54.22 O ATOM 834 CB VAL A 51 -2.210 -0.442 -2.181 1.00 72.54 C ATOM 835 CG1 VAL A 51 -3.669 -0.273 -2.663 1.00 51.21 C ATOM 836 CG2 VAL A 51 -1.217 0.198 -3.171 1.00 23.44 C ATOM 0 H VAL A 51 -0.209 -0.878 -0.425 1.00 64.34 H new ATOM 0 HA VAL A 51 -2.292 1.199 -0.751 1.00 1.12 H new ATOM 0 HB VAL A 51 -2.002 -1.511 -2.140 1.00 72.54 H new ATOM 0 HG11 VAL A 51 -3.771 -0.689 -3.665 1.00 51.21 H new ATOM 0 HG12 VAL A 51 -4.340 -0.797 -1.983 1.00 51.21 H new ATOM 0 HG13 VAL A 51 -3.926 0.786 -2.681 1.00 51.21 H new ATOM 0 HG21 VAL A 51 -1.371 -0.223 -4.164 1.00 23.44 H new ATOM 0 HG22 VAL A 51 -1.380 1.275 -3.204 1.00 23.44 H new ATOM 0 HG23 VAL A 51 -0.197 -0.005 -2.845 1.00 23.44 H new ATOM 846 N LYS A 52 -3.732 0.146 1.010 1.00 31.12 N ATOM 847 CA LYS A 52 -4.742 -0.411 1.910 1.00 33.14 C ATOM 848 C LYS A 52 -6.116 -0.320 1.230 1.00 22.35 C ATOM 849 O LYS A 52 -6.671 0.763 1.051 1.00 24.52 O ATOM 850 CB LYS A 52 -4.734 0.332 3.272 1.00 12.10 C ATOM 851 CG LYS A 52 -5.885 -0.043 4.233 1.00 3.34 C ATOM 852 CD LYS A 52 -5.965 -1.550 4.544 1.00 44.34 C ATOM 853 CE LYS A 52 -7.192 -1.886 5.393 1.00 72.43 C ATOM 854 NZ LYS A 52 -8.453 -1.485 4.724 1.00 71.22 N ATOM 0 H LYS A 52 -3.710 1.166 1.005 1.00 31.12 H new ATOM 0 HA LYS A 52 -4.515 -1.457 2.115 1.00 33.14 H new ATOM 0 HB2 LYS A 52 -3.786 0.132 3.771 1.00 12.10 H new ATOM 0 HB3 LYS A 52 -4.775 1.405 3.083 1.00 12.10 H new ATOM 0 HG2 LYS A 52 -5.761 0.506 5.167 1.00 3.34 H new ATOM 0 HG3 LYS A 52 -6.830 0.280 3.797 1.00 3.34 H new ATOM 0 HD2 LYS A 52 -6.002 -2.113 3.611 1.00 44.34 H new ATOM 0 HD3 LYS A 52 -5.062 -1.862 5.069 1.00 44.34 H new ATOM 0 HE2 LYS A 52 -7.212 -2.957 5.594 1.00 72.43 H new ATOM 0 HE3 LYS A 52 -7.116 -1.382 6.357 1.00 72.43 H new ATOM 0 HZ1 LYS A 52 -9.165 -2.232 4.850 1.00 71.22 H new ATOM 0 HZ2 LYS A 52 -8.802 -0.600 5.143 1.00 71.22 H new ATOM 0 HZ3 LYS A 52 -8.277 -1.342 3.709 1.00 71.22 H new ATOM 868 N THR A 53 -6.637 -1.476 0.846 1.00 71.21 N ATOM 869 CA THR A 53 -7.933 -1.607 0.175 1.00 61.22 C ATOM 870 C THR A 53 -8.479 -3.018 0.443 1.00 64.14 C ATOM 871 O THR A 53 -7.881 -3.775 1.212 1.00 43.32 O ATOM 872 CB THR A 53 -7.803 -1.302 -1.366 1.00 74.35 C ATOM 873 OG1 THR A 53 -9.069 -1.434 -2.034 1.00 15.44 O ATOM 874 CG2 THR A 53 -6.770 -2.197 -2.053 1.00 73.03 C ATOM 0 H THR A 53 -6.166 -2.369 0.992 1.00 71.21 H new ATOM 0 HA THR A 53 -8.637 -0.876 0.572 1.00 61.22 H new ATOM 0 HB THR A 53 -7.462 -0.270 -1.442 1.00 74.35 H new ATOM 0 HG1 THR A 53 -9.479 -0.550 -2.135 1.00 15.44 H new ATOM 0 HG21 THR A 53 -6.719 -1.947 -3.113 1.00 73.03 H new ATOM 0 HG22 THR A 53 -5.793 -2.042 -1.596 1.00 73.03 H new ATOM 0 HG23 THR A 53 -7.061 -3.241 -1.941 1.00 73.03 H new ATOM 882 N GLU A 54 -9.628 -3.359 -0.151 1.00 34.14 N ATOM 883 CA GLU A 54 -10.243 -4.693 -0.009 1.00 10.31 C ATOM 884 C GLU A 54 -10.829 -5.156 -1.367 1.00 65.31 C ATOM 885 O GLU A 54 -11.704 -6.024 -1.417 1.00 52.14 O ATOM 886 CB GLU A 54 -11.335 -4.646 1.105 1.00 52.34 C ATOM 887 CG GLU A 54 -11.700 -6.023 1.718 1.00 32.45 C ATOM 888 CD GLU A 54 -13.009 -6.001 2.531 1.00 11.51 C ATOM 889 OE1 GLU A 54 -13.010 -5.503 3.675 1.00 2.23 O ATOM 890 OE2 GLU A 54 -14.043 -6.488 2.023 1.00 62.34 O ATOM 0 H GLU A 54 -10.161 -2.722 -0.744 1.00 34.14 H new ATOM 0 HA GLU A 54 -9.487 -5.420 0.287 1.00 10.31 H new ATOM 0 HB2 GLU A 54 -10.991 -3.989 1.903 1.00 52.34 H new ATOM 0 HB3 GLU A 54 -12.238 -4.198 0.690 1.00 52.34 H new ATOM 0 HG2 GLU A 54 -11.790 -6.757 0.917 1.00 32.45 H new ATOM 0 HG3 GLU A 54 -10.886 -6.353 2.363 1.00 32.45 H new ATOM 897 N ASP A 55 -10.325 -4.585 -2.479 1.00 70.10 N ATOM 898 CA ASP A 55 -10.746 -4.986 -3.840 1.00 2.14 C ATOM 899 C ASP A 55 -9.530 -5.531 -4.603 1.00 61.33 C ATOM 900 O ASP A 55 -8.587 -4.785 -4.882 1.00 64.41 O ATOM 901 CB ASP A 55 -11.387 -3.805 -4.611 1.00 40.34 C ATOM 902 CG ASP A 55 -11.992 -4.255 -5.959 1.00 43.45 C ATOM 903 OD1 ASP A 55 -11.289 -4.222 -6.998 1.00 31.11 O ATOM 904 OD2 ASP A 55 -13.168 -4.671 -5.980 1.00 4.01 O ATOM 0 H ASP A 55 -9.625 -3.843 -2.463 1.00 70.10 H new ATOM 0 HA ASP A 55 -11.505 -5.763 -3.754 1.00 2.14 H new ATOM 0 HB2 ASP A 55 -12.165 -3.351 -3.998 1.00 40.34 H new ATOM 0 HB3 ASP A 55 -10.634 -3.037 -4.790 1.00 40.34 H new ATOM 909 N LYS A 56 -9.580 -6.836 -4.926 1.00 50.12 N ATOM 910 CA LYS A 56 -8.480 -7.595 -5.563 1.00 73.34 C ATOM 911 C LYS A 56 -8.042 -7.017 -6.926 1.00 21.32 C ATOM 912 O LYS A 56 -6.856 -7.052 -7.261 1.00 42.43 O ATOM 913 CB LYS A 56 -8.903 -9.075 -5.751 1.00 73.41 C ATOM 914 CG LYS A 56 -9.341 -9.789 -4.453 1.00 24.20 C ATOM 915 CD LYS A 56 -9.666 -11.287 -4.656 1.00 72.32 C ATOM 916 CE LYS A 56 -10.795 -11.543 -5.674 1.00 71.44 C ATOM 917 NZ LYS A 56 -12.078 -10.905 -5.271 1.00 71.41 N ATOM 0 H LYS A 56 -10.405 -7.409 -4.748 1.00 50.12 H new ATOM 0 HA LYS A 56 -7.624 -7.516 -4.892 1.00 73.34 H new ATOM 0 HB2 LYS A 56 -9.724 -9.116 -6.467 1.00 73.41 H new ATOM 0 HB3 LYS A 56 -8.070 -9.624 -6.189 1.00 73.41 H new ATOM 0 HG2 LYS A 56 -8.549 -9.694 -3.710 1.00 24.20 H new ATOM 0 HG3 LYS A 56 -10.219 -9.286 -4.049 1.00 24.20 H new ATOM 0 HD2 LYS A 56 -8.765 -11.803 -4.988 1.00 72.32 H new ATOM 0 HD3 LYS A 56 -9.948 -11.722 -3.697 1.00 72.32 H new ATOM 0 HE2 LYS A 56 -10.494 -11.162 -6.650 1.00 71.44 H new ATOM 0 HE3 LYS A 56 -10.945 -12.617 -5.783 1.00 71.44 H new ATOM 0 HZ1 LYS A 56 -12.814 -11.134 -5.969 1.00 71.41 H new ATOM 0 HZ2 LYS A 56 -12.364 -11.261 -4.337 1.00 71.41 H new ATOM 0 HZ3 LYS A 56 -11.953 -9.874 -5.225 1.00 71.41 H new ATOM 931 N GLU A 57 -9.011 -6.514 -7.707 1.00 44.52 N ATOM 932 CA GLU A 57 -8.748 -5.965 -9.051 1.00 33.33 C ATOM 933 C GLU A 57 -8.083 -4.577 -8.963 1.00 32.22 C ATOM 934 O GLU A 57 -7.284 -4.218 -9.839 1.00 10.03 O ATOM 935 CB GLU A 57 -10.058 -5.922 -9.876 1.00 72.31 C ATOM 936 CG GLU A 57 -10.666 -7.316 -10.135 1.00 11.53 C ATOM 937 CD GLU A 57 -11.873 -7.289 -11.086 1.00 3.21 C ATOM 938 OE1 GLU A 57 -12.989 -6.947 -10.642 1.00 71.11 O ATOM 939 OE2 GLU A 57 -11.711 -7.616 -12.280 1.00 63.05 O ATOM 0 H GLU A 57 -9.992 -6.475 -7.430 1.00 44.52 H new ATOM 0 HA GLU A 57 -8.047 -6.622 -9.566 1.00 33.33 H new ATOM 0 HB2 GLU A 57 -10.789 -5.307 -9.351 1.00 72.31 H new ATOM 0 HB3 GLU A 57 -9.861 -5.437 -10.832 1.00 72.31 H new ATOM 0 HG2 GLU A 57 -9.898 -7.967 -10.553 1.00 11.53 H new ATOM 0 HG3 GLU A 57 -10.972 -7.753 -9.184 1.00 11.53 H new ATOM 946 N SER A 58 -8.402 -3.820 -7.892 1.00 73.02 N ATOM 947 CA SER A 58 -7.756 -2.524 -7.602 1.00 45.44 C ATOM 948 C SER A 58 -6.283 -2.752 -7.206 1.00 40.34 C ATOM 949 O SER A 58 -5.378 -2.066 -7.697 1.00 0.53 O ATOM 950 CB SER A 58 -8.511 -1.800 -6.466 1.00 62.23 C ATOM 951 OG SER A 58 -9.877 -1.599 -6.803 1.00 63.35 O ATOM 0 H SER A 58 -9.110 -4.088 -7.209 1.00 73.02 H new ATOM 0 HA SER A 58 -7.788 -1.900 -8.495 1.00 45.44 H new ATOM 0 HB2 SER A 58 -8.442 -2.386 -5.549 1.00 62.23 H new ATOM 0 HB3 SER A 58 -8.038 -0.839 -6.266 1.00 62.23 H new ATOM 0 HG SER A 58 -10.326 -2.467 -6.881 1.00 63.35 H new ATOM 957 N ILE A 59 -6.086 -3.763 -6.333 1.00 72.12 N ATOM 958 CA ILE A 59 -4.763 -4.226 -5.872 1.00 2.12 C ATOM 959 C ILE A 59 -3.888 -4.620 -7.076 1.00 70.22 C ATOM 960 O ILE A 59 -2.750 -4.152 -7.213 1.00 54.40 O ATOM 961 CB ILE A 59 -4.927 -5.475 -4.908 1.00 23.23 C ATOM 962 CG1 ILE A 59 -5.658 -5.073 -3.592 1.00 45.13 C ATOM 963 CG2 ILE A 59 -3.578 -6.157 -4.607 1.00 62.11 C ATOM 964 CD1 ILE A 59 -6.002 -6.226 -2.667 1.00 45.35 C ATOM 0 H ILE A 59 -6.857 -4.289 -5.922 1.00 72.12 H new ATOM 0 HA ILE A 59 -4.282 -3.412 -5.329 1.00 2.12 H new ATOM 0 HB ILE A 59 -5.544 -6.205 -5.431 1.00 23.23 H new ATOM 0 HG12 ILE A 59 -5.031 -4.366 -3.048 1.00 45.13 H new ATOM 0 HG13 ILE A 59 -6.578 -4.549 -3.851 1.00 45.13 H new ATOM 0 HG21 ILE A 59 -3.740 -7.006 -3.943 1.00 62.11 H new ATOM 0 HG22 ILE A 59 -3.130 -6.504 -5.538 1.00 62.11 H new ATOM 0 HG23 ILE A 59 -2.909 -5.443 -4.126 1.00 62.11 H new ATOM 0 HD11 ILE A 59 -6.508 -5.843 -1.781 1.00 45.35 H new ATOM 0 HD12 ILE A 59 -6.658 -6.925 -3.185 1.00 45.35 H new ATOM 0 HD13 ILE A 59 -5.088 -6.739 -2.370 1.00 45.35 H new ATOM 976 N SER A 60 -4.484 -5.452 -7.952 1.00 5.00 N ATOM 977 CA SER A 60 -3.811 -6.066 -9.100 1.00 3.20 C ATOM 978 C SER A 60 -3.212 -5.008 -10.042 1.00 45.22 C ATOM 979 O SER A 60 -2.068 -5.149 -10.465 1.00 31.52 O ATOM 980 CB SER A 60 -4.801 -6.987 -9.857 1.00 63.44 C ATOM 981 OG SER A 60 -4.182 -7.651 -10.947 1.00 63.05 O ATOM 0 H SER A 60 -5.466 -5.718 -7.875 1.00 5.00 H new ATOM 0 HA SER A 60 -2.981 -6.666 -8.728 1.00 3.20 H new ATOM 0 HB2 SER A 60 -5.209 -7.726 -9.167 1.00 63.44 H new ATOM 0 HB3 SER A 60 -5.640 -6.395 -10.222 1.00 63.44 H new ATOM 0 HG SER A 60 -4.838 -8.223 -11.397 1.00 63.05 H new ATOM 987 N GLU A 61 -3.980 -3.925 -10.313 1.00 45.33 N ATOM 988 CA GLU A 61 -3.551 -2.843 -11.226 1.00 14.11 C ATOM 989 C GLU A 61 -2.272 -2.153 -10.731 1.00 54.44 C ATOM 990 O GLU A 61 -1.314 -1.982 -11.507 1.00 34.21 O ATOM 991 CB GLU A 61 -4.686 -1.807 -11.436 1.00 33.52 C ATOM 992 CG GLU A 61 -5.911 -2.373 -12.181 1.00 13.21 C ATOM 993 CD GLU A 61 -5.548 -3.081 -13.504 1.00 1.15 C ATOM 994 OE1 GLU A 61 -5.611 -4.326 -13.577 1.00 73.21 O ATOM 995 OE2 GLU A 61 -5.169 -2.397 -14.470 1.00 64.45 O ATOM 0 H GLU A 61 -4.905 -3.779 -9.908 1.00 45.33 H new ATOM 0 HA GLU A 61 -3.325 -3.304 -12.187 1.00 14.11 H new ATOM 0 HB2 GLU A 61 -5.005 -1.429 -10.465 1.00 33.52 H new ATOM 0 HB3 GLU A 61 -4.292 -0.958 -11.995 1.00 33.52 H new ATOM 0 HG2 GLU A 61 -6.430 -3.077 -11.531 1.00 13.21 H new ATOM 0 HG3 GLU A 61 -6.607 -1.561 -12.391 1.00 13.21 H new ATOM 1002 N ILE A 62 -2.251 -1.792 -9.432 1.00 43.25 N ATOM 1003 CA ILE A 62 -1.076 -1.171 -8.809 1.00 0.23 C ATOM 1004 C ILE A 62 0.134 -2.136 -8.881 1.00 15.12 C ATOM 1005 O ILE A 62 1.203 -1.725 -9.337 1.00 13.41 O ATOM 1006 CB ILE A 62 -1.343 -0.694 -7.318 1.00 20.44 C ATOM 1007 CG1 ILE A 62 -2.174 0.647 -7.260 1.00 1.10 C ATOM 1008 CG2 ILE A 62 -0.013 -0.523 -6.532 1.00 20.04 C ATOM 1009 CD1 ILE A 62 -3.592 0.598 -7.821 1.00 61.33 C ATOM 0 H ILE A 62 -3.039 -1.922 -8.797 1.00 43.25 H new ATOM 0 HA ILE A 62 -0.849 -0.268 -9.376 1.00 0.23 H new ATOM 0 HB ILE A 62 -1.935 -1.478 -6.846 1.00 20.44 H new ATOM 0 HG12 ILE A 62 -2.230 0.968 -6.220 1.00 1.10 H new ATOM 0 HG13 ILE A 62 -1.620 1.414 -7.801 1.00 1.10 H new ATOM 0 HG21 ILE A 62 -0.231 -0.196 -5.515 1.00 20.04 H new ATOM 0 HG22 ILE A 62 0.516 -1.475 -6.501 1.00 20.04 H new ATOM 0 HG23 ILE A 62 0.609 0.222 -7.028 1.00 20.04 H new ATOM 0 HD11 ILE A 62 -4.056 1.579 -7.723 1.00 61.33 H new ATOM 0 HD12 ILE A 62 -3.557 0.316 -8.873 1.00 61.33 H new ATOM 0 HD13 ILE A 62 -4.177 -0.137 -7.268 1.00 61.33 H new ATOM 1021 N ILE A 63 -0.077 -3.423 -8.492 1.00 43.24 N ATOM 1022 CA ILE A 63 0.992 -4.449 -8.498 1.00 22.55 C ATOM 1023 C ILE A 63 1.636 -4.560 -9.894 1.00 71.31 C ATOM 1024 O ILE A 63 2.852 -4.499 -10.006 1.00 30.22 O ATOM 1025 CB ILE A 63 0.477 -5.872 -8.046 1.00 64.21 C ATOM 1026 CG1 ILE A 63 -0.035 -5.849 -6.574 1.00 32.41 C ATOM 1027 CG2 ILE A 63 1.579 -6.955 -8.213 1.00 3.24 C ATOM 1028 CD1 ILE A 63 -0.501 -7.200 -6.057 1.00 71.24 C ATOM 0 H ILE A 63 -0.980 -3.771 -8.171 1.00 43.24 H new ATOM 0 HA ILE A 63 1.735 -4.118 -7.772 1.00 22.55 H new ATOM 0 HB ILE A 63 -0.358 -6.131 -8.697 1.00 64.21 H new ATOM 0 HG12 ILE A 63 0.763 -5.481 -5.929 1.00 32.41 H new ATOM 0 HG13 ILE A 63 -0.859 -5.139 -6.498 1.00 32.41 H new ATOM 0 HG21 ILE A 63 1.191 -7.922 -7.893 1.00 3.24 H new ATOM 0 HG22 ILE A 63 1.877 -7.012 -9.260 1.00 3.24 H new ATOM 0 HG23 ILE A 63 2.443 -6.691 -7.604 1.00 3.24 H new ATOM 0 HD11 ILE A 63 -0.841 -7.098 -5.027 1.00 71.24 H new ATOM 0 HD12 ILE A 63 -1.322 -7.563 -6.676 1.00 71.24 H new ATOM 0 HD13 ILE A 63 0.325 -7.910 -6.097 1.00 71.24 H new ATOM 1040 N LYS A 64 0.787 -4.648 -10.942 1.00 61.41 N ATOM 1041 CA LYS A 64 1.219 -4.768 -12.354 1.00 11.13 C ATOM 1042 C LYS A 64 2.177 -3.628 -12.752 1.00 50.02 C ATOM 1043 O LYS A 64 3.233 -3.875 -13.349 1.00 2.30 O ATOM 1044 CB LYS A 64 -0.028 -4.757 -13.278 1.00 2.21 C ATOM 1045 CG LYS A 64 -0.890 -6.043 -13.238 1.00 2.03 C ATOM 1046 CD LYS A 64 -2.313 -5.817 -13.816 1.00 41.31 C ATOM 1047 CE LYS A 64 -2.308 -5.145 -15.202 1.00 71.22 C ATOM 1048 NZ LYS A 64 -3.687 -4.964 -15.732 1.00 1.21 N ATOM 0 H LYS A 64 -0.227 -4.638 -10.831 1.00 61.41 H new ATOM 0 HA LYS A 64 1.757 -5.709 -12.467 1.00 11.13 H new ATOM 0 HB2 LYS A 64 -0.656 -3.909 -13.004 1.00 2.21 H new ATOM 0 HB3 LYS A 64 0.301 -4.591 -14.304 1.00 2.21 H new ATOM 0 HG2 LYS A 64 -0.391 -6.830 -13.804 1.00 2.03 H new ATOM 0 HG3 LYS A 64 -0.970 -6.392 -12.209 1.00 2.03 H new ATOM 0 HD2 LYS A 64 -2.825 -6.776 -13.887 1.00 41.31 H new ATOM 0 HD3 LYS A 64 -2.885 -5.200 -13.123 1.00 41.31 H new ATOM 0 HE2 LYS A 64 -1.814 -4.176 -15.134 1.00 71.22 H new ATOM 0 HE3 LYS A 64 -1.727 -5.751 -15.898 1.00 71.22 H new ATOM 0 HZ1 LYS A 64 -3.728 -4.096 -16.303 1.00 1.21 H new ATOM 0 HZ2 LYS A 64 -3.941 -5.780 -16.324 1.00 1.21 H new ATOM 0 HZ3 LYS A 64 -4.356 -4.890 -14.940 1.00 1.21 H new ATOM 1062 N GLN A 65 1.788 -2.389 -12.391 1.00 75.03 N ATOM 1063 CA GLN A 65 2.596 -1.184 -12.644 1.00 1.11 C ATOM 1064 C GLN A 65 3.932 -1.226 -11.865 1.00 53.31 C ATOM 1065 O GLN A 65 4.986 -0.868 -12.396 1.00 20.32 O ATOM 1066 CB GLN A 65 1.786 0.073 -12.247 1.00 52.02 C ATOM 1067 CG GLN A 65 0.455 0.260 -12.993 1.00 54.45 C ATOM 1068 CD GLN A 65 0.627 0.391 -14.503 1.00 1.25 C ATOM 1069 OE1 GLN A 65 0.588 -0.597 -15.239 1.00 12.24 O ATOM 1070 NE2 GLN A 65 0.819 1.611 -14.975 1.00 50.45 N ATOM 0 H GLN A 65 0.906 -2.198 -11.917 1.00 75.03 H new ATOM 0 HA GLN A 65 2.834 -1.146 -13.707 1.00 1.11 H new ATOM 0 HB2 GLN A 65 1.581 0.030 -11.177 1.00 52.02 H new ATOM 0 HB3 GLN A 65 2.406 0.953 -12.418 1.00 52.02 H new ATOM 0 HG2 GLN A 65 -0.196 -0.588 -12.780 1.00 54.45 H new ATOM 0 HG3 GLN A 65 -0.046 1.150 -12.612 1.00 54.45 H new ATOM 0 HE21 GLN A 65 0.846 2.406 -14.337 1.00 50.45 H new ATOM 0 HE22 GLN A 65 0.940 1.757 -15.977 1.00 50.45 H new ATOM 1079 N VAL A 66 3.860 -1.691 -10.608 1.00 55.12 N ATOM 1080 CA VAL A 66 5.017 -1.778 -9.703 1.00 21.54 C ATOM 1081 C VAL A 66 6.016 -2.868 -10.164 1.00 73.04 C ATOM 1082 O VAL A 66 7.232 -2.682 -10.035 1.00 11.03 O ATOM 1083 CB VAL A 66 4.552 -2.038 -8.220 1.00 64.43 C ATOM 1084 CG1 VAL A 66 5.742 -2.336 -7.293 1.00 54.33 C ATOM 1085 CG2 VAL A 66 3.731 -0.842 -7.677 1.00 10.52 C ATOM 0 H VAL A 66 2.991 -2.020 -10.188 1.00 55.12 H new ATOM 0 HA VAL A 66 5.534 -0.819 -9.737 1.00 21.54 H new ATOM 0 HB VAL A 66 3.912 -2.920 -8.235 1.00 64.43 H new ATOM 0 HG11 VAL A 66 5.379 -2.509 -6.280 1.00 54.33 H new ATOM 0 HG12 VAL A 66 6.266 -3.223 -7.648 1.00 54.33 H new ATOM 0 HG13 VAL A 66 6.425 -1.487 -7.293 1.00 54.33 H new ATOM 0 HG21 VAL A 66 3.423 -1.048 -6.652 1.00 10.52 H new ATOM 0 HG22 VAL A 66 4.344 0.059 -7.698 1.00 10.52 H new ATOM 0 HG23 VAL A 66 2.848 -0.695 -8.299 1.00 10.52 H new ATOM 1095 N LEU A 67 5.496 -3.977 -10.737 1.00 73.40 N ATOM 1096 CA LEU A 67 6.336 -5.082 -11.250 1.00 22.13 C ATOM 1097 C LEU A 67 7.190 -4.568 -12.416 1.00 31.42 C ATOM 1098 O LEU A 67 8.382 -4.868 -12.514 1.00 45.32 O ATOM 1099 CB LEU A 67 5.474 -6.289 -11.727 1.00 25.33 C ATOM 1100 CG LEU A 67 4.610 -7.019 -10.646 1.00 52.32 C ATOM 1101 CD1 LEU A 67 3.856 -8.220 -11.256 1.00 24.13 C ATOM 1102 CD2 LEU A 67 5.447 -7.444 -9.418 1.00 73.32 C ATOM 0 H LEU A 67 4.495 -4.130 -10.856 1.00 73.40 H new ATOM 0 HA LEU A 67 6.974 -5.429 -10.437 1.00 22.13 H new ATOM 0 HB2 LEU A 67 4.806 -5.938 -12.513 1.00 25.33 H new ATOM 0 HB3 LEU A 67 6.141 -7.023 -12.179 1.00 25.33 H new ATOM 0 HG LEU A 67 3.870 -6.302 -10.290 1.00 52.32 H new ATOM 0 HD11 LEU A 67 3.264 -8.709 -10.482 1.00 24.13 H new ATOM 0 HD12 LEU A 67 3.197 -7.870 -12.051 1.00 24.13 H new ATOM 0 HD13 LEU A 67 4.574 -8.930 -11.666 1.00 24.13 H new ATOM 0 HD21 LEU A 67 4.804 -7.946 -8.696 1.00 73.32 H new ATOM 0 HD22 LEU A 67 6.238 -8.124 -9.734 1.00 73.32 H new ATOM 0 HD23 LEU A 67 5.890 -6.562 -8.957 1.00 73.32 H new ATOM 1114 N ASP A 68 6.538 -3.755 -13.267 1.00 75.23 N ATOM 1115 CA ASP A 68 7.154 -3.112 -14.438 1.00 54.22 C ATOM 1116 C ASP A 68 8.227 -2.087 -14.015 1.00 4.41 C ATOM 1117 O ASP A 68 9.305 -2.015 -14.622 1.00 33.03 O ATOM 1118 CB ASP A 68 6.052 -2.434 -15.305 1.00 31.03 C ATOM 1119 CG ASP A 68 6.614 -1.616 -16.489 1.00 71.14 C ATOM 1120 OD1 ASP A 68 6.998 -2.213 -17.520 1.00 64.33 O ATOM 1121 OD2 ASP A 68 6.655 -0.373 -16.400 1.00 15.12 O ATOM 0 H ASP A 68 5.551 -3.524 -13.157 1.00 75.23 H new ATOM 0 HA ASP A 68 7.652 -3.878 -15.032 1.00 54.22 H new ATOM 0 HB2 ASP A 68 5.381 -3.202 -15.690 1.00 31.03 H new ATOM 0 HB3 ASP A 68 5.455 -1.778 -14.671 1.00 31.03 H new ATOM 1126 N SER A 69 7.928 -1.313 -12.948 1.00 11.43 N ATOM 1127 CA SER A 69 8.807 -0.221 -12.479 1.00 2.10 C ATOM 1128 C SER A 69 9.874 -0.724 -11.476 1.00 1.41 C ATOM 1129 O SER A 69 10.832 0.005 -11.174 1.00 12.14 O ATOM 1130 CB SER A 69 7.963 0.922 -11.868 1.00 72.21 C ATOM 1131 OG SER A 69 6.957 1.343 -12.771 1.00 4.11 O ATOM 0 H SER A 69 7.079 -1.426 -12.393 1.00 11.43 H new ATOM 0 HA SER A 69 9.345 0.166 -13.344 1.00 2.10 H new ATOM 0 HB2 SER A 69 7.505 0.585 -10.938 1.00 72.21 H new ATOM 0 HB3 SER A 69 8.609 1.764 -11.618 1.00 72.21 H new ATOM 0 HG SER A 69 6.709 2.271 -12.575 1.00 4.11 H new ATOM 1137 N GLY A 70 9.695 -1.964 -10.979 1.00 43.24 N ATOM 1138 CA GLY A 70 10.612 -2.580 -10.010 1.00 61.03 C ATOM 1139 C GLY A 70 10.639 -1.871 -8.658 1.00 42.21 C ATOM 1140 O GLY A 70 11.673 -1.856 -7.975 1.00 73.22 O ATOM 0 H GLY A 70 8.911 -2.562 -11.240 1.00 43.24 H new ATOM 0 HA2 GLY A 70 10.323 -3.620 -9.860 1.00 61.03 H new ATOM 0 HA3 GLY A 70 11.619 -2.586 -10.428 1.00 61.03 H new ATOM 1144 N ALA A 71 9.494 -1.270 -8.281 1.00 5.20 N ATOM 1145 CA ALA A 71 9.339 -0.551 -6.997 1.00 42.12 C ATOM 1146 C ALA A 71 9.029 -1.545 -5.858 1.00 13.43 C ATOM 1147 O ALA A 71 8.719 -2.717 -6.121 1.00 41.15 O ATOM 1148 CB ALA A 71 8.239 0.529 -7.113 1.00 43.14 C ATOM 0 H ALA A 71 8.651 -1.268 -8.855 1.00 5.20 H new ATOM 0 HA ALA A 71 10.277 -0.050 -6.759 1.00 42.12 H new ATOM 0 HB1 ALA A 71 8.137 1.049 -6.160 1.00 43.14 H new ATOM 0 HB2 ALA A 71 8.512 1.244 -7.889 1.00 43.14 H new ATOM 0 HB3 ALA A 71 7.291 0.057 -7.372 1.00 43.14 H new ATOM 1154 N LYS A 72 9.144 -1.086 -4.597 1.00 62.22 N ATOM 1155 CA LYS A 72 8.734 -1.883 -3.415 1.00 30.33 C ATOM 1156 C LYS A 72 7.238 -1.643 -3.176 1.00 32.11 C ATOM 1157 O LYS A 72 6.776 -0.508 -3.291 1.00 13.32 O ATOM 1158 CB LYS A 72 9.551 -1.512 -2.134 1.00 45.21 C ATOM 1159 CG LYS A 72 11.021 -2.003 -2.102 1.00 72.24 C ATOM 1160 CD LYS A 72 11.927 -1.339 -3.170 1.00 0.10 C ATOM 1161 CE LYS A 72 12.026 0.186 -2.997 1.00 12.12 C ATOM 1162 NZ LYS A 72 12.904 0.813 -4.024 1.00 22.10 N ATOM 0 H LYS A 72 9.518 -0.166 -4.366 1.00 62.22 H new ATOM 0 HA LYS A 72 8.934 -2.935 -3.616 1.00 30.33 H new ATOM 0 HB2 LYS A 72 9.548 -0.427 -2.027 1.00 45.21 H new ATOM 0 HB3 LYS A 72 9.033 -1.920 -1.266 1.00 45.21 H new ATOM 0 HG2 LYS A 72 11.438 -1.808 -1.114 1.00 72.24 H new ATOM 0 HG3 LYS A 72 11.036 -3.083 -2.247 1.00 72.24 H new ATOM 0 HD2 LYS A 72 12.925 -1.773 -3.114 1.00 0.10 H new ATOM 0 HD3 LYS A 72 11.537 -1.564 -4.163 1.00 0.10 H new ATOM 0 HE2 LYS A 72 11.029 0.622 -3.058 1.00 12.12 H new ATOM 0 HE3 LYS A 72 12.413 0.413 -2.003 1.00 12.12 H new ATOM 0 HZ1 LYS A 72 13.364 1.654 -3.621 1.00 22.10 H new ATOM 0 HZ2 LYS A 72 13.630 0.131 -4.323 1.00 22.10 H new ATOM 0 HZ3 LYS A 72 12.332 1.092 -4.846 1.00 22.10 H new ATOM 1176 N VAL A 73 6.483 -2.704 -2.858 1.00 31.33 N ATOM 1177 CA VAL A 73 5.025 -2.604 -2.652 1.00 72.40 C ATOM 1178 C VAL A 73 4.568 -3.481 -1.473 1.00 41.44 C ATOM 1179 O VAL A 73 5.004 -4.630 -1.321 1.00 72.20 O ATOM 1180 CB VAL A 73 4.236 -2.963 -3.970 1.00 1.52 C ATOM 1181 CG1 VAL A 73 4.657 -4.335 -4.539 1.00 12.14 C ATOM 1182 CG2 VAL A 73 2.699 -2.849 -3.776 1.00 11.42 C ATOM 0 H VAL A 73 6.856 -3.645 -2.737 1.00 31.33 H new ATOM 0 HA VAL A 73 4.797 -1.568 -2.402 1.00 72.40 H new ATOM 0 HB VAL A 73 4.510 -2.220 -4.719 1.00 1.52 H new ATOM 0 HG11 VAL A 73 4.089 -4.542 -5.446 1.00 12.14 H new ATOM 0 HG12 VAL A 73 5.722 -4.321 -4.773 1.00 12.14 H new ATOM 0 HG13 VAL A 73 4.458 -5.112 -3.801 1.00 12.14 H new ATOM 0 HG21 VAL A 73 2.195 -3.105 -4.708 1.00 11.42 H new ATOM 0 HG22 VAL A 73 2.380 -3.534 -2.991 1.00 11.42 H new ATOM 0 HG23 VAL A 73 2.443 -1.828 -3.493 1.00 11.42 H new ATOM 1192 N LEU A 74 3.709 -2.892 -0.633 1.00 11.23 N ATOM 1193 CA LEU A 74 3.022 -3.564 0.464 1.00 10.33 C ATOM 1194 C LEU A 74 1.516 -3.517 0.193 1.00 50.01 C ATOM 1195 O LEU A 74 0.927 -2.437 0.078 1.00 24.01 O ATOM 1196 CB LEU A 74 3.367 -2.896 1.822 1.00 73.41 C ATOM 1197 CG LEU A 74 2.487 -3.308 3.054 1.00 12.54 C ATOM 1198 CD1 LEU A 74 2.439 -4.841 3.273 1.00 22.43 C ATOM 1199 CD2 LEU A 74 2.936 -2.557 4.328 1.00 3.15 C ATOM 0 H LEU A 74 3.469 -1.903 -0.705 1.00 11.23 H new ATOM 0 HA LEU A 74 3.349 -4.602 0.525 1.00 10.33 H new ATOM 0 HB2 LEU A 74 4.407 -3.120 2.057 1.00 73.41 H new ATOM 0 HB3 LEU A 74 3.294 -1.816 1.698 1.00 73.41 H new ATOM 0 HG LEU A 74 1.464 -3.007 2.829 1.00 12.54 H new ATOM 0 HD11 LEU A 74 1.816 -5.066 4.139 1.00 22.43 H new ATOM 0 HD12 LEU A 74 2.019 -5.322 2.389 1.00 22.43 H new ATOM 0 HD13 LEU A 74 3.448 -5.216 3.445 1.00 22.43 H new ATOM 0 HD21 LEU A 74 2.311 -2.860 5.168 1.00 3.15 H new ATOM 0 HD22 LEU A 74 3.977 -2.798 4.545 1.00 3.15 H new ATOM 0 HD23 LEU A 74 2.838 -1.483 4.171 1.00 3.15 H new ATOM 1211 N ILE A 75 0.917 -4.698 0.046 1.00 75.44 N ATOM 1212 CA ILE A 75 -0.523 -4.871 -0.111 1.00 3.45 C ATOM 1213 C ILE A 75 -1.147 -5.200 1.251 1.00 63.42 C ATOM 1214 O ILE A 75 -0.876 -6.259 1.837 1.00 54.42 O ATOM 1215 CB ILE A 75 -0.843 -6.004 -1.153 1.00 33.14 C ATOM 1216 CG1 ILE A 75 -0.279 -5.631 -2.563 1.00 63.42 C ATOM 1217 CG2 ILE A 75 -2.357 -6.327 -1.217 1.00 43.33 C ATOM 1218 CD1 ILE A 75 -0.745 -4.287 -3.122 1.00 25.21 C ATOM 0 H ILE A 75 1.432 -5.578 0.033 1.00 75.44 H new ATOM 0 HA ILE A 75 -0.951 -3.943 -0.489 1.00 3.45 H new ATOM 0 HB ILE A 75 -0.344 -6.912 -0.814 1.00 33.14 H new ATOM 0 HG12 ILE A 75 0.810 -5.625 -2.510 1.00 63.42 H new ATOM 0 HG13 ILE A 75 -0.560 -6.415 -3.267 1.00 63.42 H new ATOM 0 HG21 ILE A 75 -2.530 -7.115 -1.950 1.00 43.33 H new ATOM 0 HG22 ILE A 75 -2.700 -6.661 -0.238 1.00 43.33 H new ATOM 0 HG23 ILE A 75 -2.908 -5.433 -1.509 1.00 43.33 H new ATOM 0 HD11 ILE A 75 -0.297 -4.125 -4.102 1.00 25.21 H new ATOM 0 HD12 ILE A 75 -1.831 -4.289 -3.216 1.00 25.21 H new ATOM 0 HD13 ILE A 75 -0.440 -3.487 -2.447 1.00 25.21 H new ATOM 1230 N LEU A 76 -1.936 -4.255 1.765 1.00 61.20 N ATOM 1231 CA LEU A 76 -2.735 -4.427 2.976 1.00 61.44 C ATOM 1232 C LEU A 76 -4.199 -4.605 2.575 1.00 4.23 C ATOM 1233 O LEU A 76 -4.744 -3.796 1.809 1.00 72.02 O ATOM 1234 CB LEU A 76 -2.560 -3.200 3.911 1.00 44.44 C ATOM 1235 CG LEU A 76 -1.110 -2.965 4.429 1.00 75.13 C ATOM 1236 CD1 LEU A 76 -0.997 -1.668 5.251 1.00 40.32 C ATOM 1237 CD2 LEU A 76 -0.620 -4.181 5.234 1.00 44.53 C ATOM 0 H LEU A 76 -2.038 -3.332 1.342 1.00 61.20 H new ATOM 0 HA LEU A 76 -2.402 -5.310 3.522 1.00 61.44 H new ATOM 0 HB2 LEU A 76 -2.888 -2.307 3.378 1.00 44.44 H new ATOM 0 HB3 LEU A 76 -3.221 -3.320 4.769 1.00 44.44 H new ATOM 0 HG LEU A 76 -0.463 -2.846 3.560 1.00 75.13 H new ATOM 0 HD11 LEU A 76 0.030 -1.542 5.593 1.00 40.32 H new ATOM 0 HD12 LEU A 76 -1.279 -0.818 4.630 1.00 40.32 H new ATOM 0 HD13 LEU A 76 -1.662 -1.724 6.113 1.00 40.32 H new ATOM 0 HD21 LEU A 76 0.395 -3.998 5.588 1.00 44.53 H new ATOM 0 HD22 LEU A 76 -1.278 -4.341 6.088 1.00 44.53 H new ATOM 0 HD23 LEU A 76 -0.629 -5.066 4.598 1.00 44.53 H new ATOM 1249 N SER A 77 -4.831 -5.671 3.070 1.00 54.43 N ATOM 1250 CA SER A 77 -6.235 -5.977 2.781 1.00 53.00 C ATOM 1251 C SER A 77 -6.935 -6.401 4.070 1.00 45.33 C ATOM 1252 O SER A 77 -6.346 -7.099 4.903 1.00 14.43 O ATOM 1253 CB SER A 77 -6.343 -7.083 1.708 1.00 5.13 C ATOM 1254 OG SER A 77 -5.628 -6.743 0.529 1.00 54.35 O ATOM 0 H SER A 77 -4.382 -6.350 3.685 1.00 54.43 H new ATOM 0 HA SER A 77 -6.723 -5.085 2.387 1.00 53.00 H new ATOM 0 HB2 SER A 77 -5.957 -8.019 2.111 1.00 5.13 H new ATOM 0 HB3 SER A 77 -7.392 -7.250 1.462 1.00 5.13 H new ATOM 0 HG SER A 77 -5.304 -7.560 0.096 1.00 54.35 H new ATOM 1260 N SER A 78 -8.209 -6.005 4.212 1.00 71.24 N ATOM 1261 CA SER A 78 -9.017 -6.279 5.411 1.00 5.23 C ATOM 1262 C SER A 78 -9.573 -7.728 5.422 1.00 1.20 C ATOM 1263 O SER A 78 -10.413 -8.059 6.260 1.00 75.21 O ATOM 1264 CB SER A 78 -10.177 -5.255 5.488 1.00 42.11 C ATOM 1265 OG SER A 78 -9.711 -3.918 5.476 1.00 1.13 O ATOM 0 H SER A 78 -8.711 -5.482 3.494 1.00 71.24 H new ATOM 0 HA SER A 78 -8.374 -6.179 6.285 1.00 5.23 H new ATOM 0 HB2 SER A 78 -10.853 -5.410 4.647 1.00 42.11 H new ATOM 0 HB3 SER A 78 -10.753 -5.429 6.397 1.00 42.11 H new ATOM 0 HG SER A 78 -10.452 -3.311 5.684 1.00 1.13 H new ATOM 1271 N ASP A 79 -9.076 -8.595 4.518 1.00 24.31 N ATOM 1272 CA ASP A 79 -9.593 -9.959 4.353 1.00 21.34 C ATOM 1273 C ASP A 79 -8.449 -10.950 4.040 1.00 20.23 C ATOM 1274 O ASP A 79 -7.588 -10.693 3.177 1.00 50.53 O ATOM 1275 CB ASP A 79 -10.674 -9.974 3.246 1.00 4.02 C ATOM 1276 CG ASP A 79 -11.256 -11.374 2.995 1.00 55.04 C ATOM 1277 OD1 ASP A 79 -10.773 -12.065 2.084 1.00 44.41 O ATOM 1278 OD2 ASP A 79 -12.186 -11.791 3.711 1.00 71.44 O ATOM 0 H ASP A 79 -8.308 -8.367 3.886 1.00 24.31 H new ATOM 0 HA ASP A 79 -10.050 -10.282 5.288 1.00 21.34 H new ATOM 0 HB2 ASP A 79 -11.481 -9.296 3.524 1.00 4.02 H new ATOM 0 HB3 ASP A 79 -10.243 -9.594 2.320 1.00 4.02 H new ATOM 1283 N GLU A 80 -8.486 -12.086 4.753 1.00 31.04 N ATOM 1284 CA GLU A 80 -7.453 -13.130 4.720 1.00 44.30 C ATOM 1285 C GLU A 80 -7.404 -13.856 3.365 1.00 51.22 C ATOM 1286 O GLU A 80 -6.322 -14.236 2.904 1.00 44.31 O ATOM 1287 CB GLU A 80 -7.690 -14.184 5.841 1.00 14.45 C ATOM 1288 CG GLU A 80 -7.769 -13.635 7.292 1.00 1.35 C ATOM 1289 CD GLU A 80 -9.137 -13.019 7.674 1.00 53.03 C ATOM 1290 OE1 GLU A 80 -9.304 -11.778 7.612 1.00 45.22 O ATOM 1291 OE2 GLU A 80 -10.057 -13.784 8.023 1.00 75.24 O ATOM 0 H GLU A 80 -9.255 -12.309 5.384 1.00 31.04 H new ATOM 0 HA GLU A 80 -6.501 -12.623 4.880 1.00 44.30 H new ATOM 0 HB2 GLU A 80 -8.618 -14.713 5.624 1.00 14.45 H new ATOM 0 HB3 GLU A 80 -6.886 -14.919 5.796 1.00 14.45 H new ATOM 0 HG2 GLU A 80 -7.544 -14.445 7.986 1.00 1.35 H new ATOM 0 HG3 GLU A 80 -6.995 -12.878 7.423 1.00 1.35 H new ATOM 1298 N ASN A 81 -8.586 -14.043 2.745 1.00 4.03 N ATOM 1299 CA ASN A 81 -8.723 -14.807 1.487 1.00 12.55 C ATOM 1300 C ASN A 81 -8.092 -14.004 0.339 1.00 14.15 C ATOM 1301 O ASN A 81 -7.437 -14.568 -0.543 1.00 72.01 O ATOM 1302 CB ASN A 81 -10.224 -15.119 1.173 1.00 61.42 C ATOM 1303 CG ASN A 81 -10.989 -15.718 2.364 1.00 5.54 C ATOM 1304 OD1 ASN A 81 -11.022 -16.933 2.558 1.00 15.25 O ATOM 1305 ND2 ASN A 81 -11.625 -14.867 3.164 1.00 62.02 N ATOM 0 H ASN A 81 -9.468 -13.672 3.099 1.00 4.03 H new ATOM 0 HA ASN A 81 -8.206 -15.760 1.597 1.00 12.55 H new ATOM 0 HB2 ASN A 81 -10.719 -14.201 0.858 1.00 61.42 H new ATOM 0 HB3 ASN A 81 -10.275 -15.812 0.333 1.00 61.42 H new ATOM 0 HD21 ASN A 81 -12.157 -15.217 3.961 1.00 62.02 H new ATOM 0 HD22 ASN A 81 -11.581 -13.865 2.980 1.00 62.02 H new ATOM 1312 N ILE A 82 -8.275 -12.666 0.396 1.00 35.33 N ATOM 1313 CA ILE A 82 -7.692 -11.723 -0.569 1.00 33.33 C ATOM 1314 C ILE A 82 -6.159 -11.764 -0.470 1.00 53.22 C ATOM 1315 O ILE A 82 -5.482 -11.919 -1.487 1.00 35.42 O ATOM 1316 CB ILE A 82 -8.223 -10.255 -0.347 1.00 14.24 C ATOM 1317 CG1 ILE A 82 -9.761 -10.186 -0.622 1.00 12.30 C ATOM 1318 CG2 ILE A 82 -7.446 -9.222 -1.207 1.00 20.33 C ATOM 1319 CD1 ILE A 82 -10.380 -8.813 -0.446 1.00 31.21 C ATOM 0 H ILE A 82 -8.835 -12.213 1.118 1.00 35.33 H new ATOM 0 HA ILE A 82 -7.999 -12.028 -1.569 1.00 33.33 H new ATOM 0 HB ILE A 82 -8.048 -9.990 0.696 1.00 14.24 H new ATOM 0 HG12 ILE A 82 -9.949 -10.525 -1.641 1.00 12.30 H new ATOM 0 HG13 ILE A 82 -10.266 -10.885 0.045 1.00 12.30 H new ATOM 0 HG21 ILE A 82 -7.844 -8.224 -1.024 1.00 20.33 H new ATOM 0 HG22 ILE A 82 -6.390 -9.247 -0.939 1.00 20.33 H new ATOM 0 HG23 ILE A 82 -7.559 -9.469 -2.263 1.00 20.33 H new ATOM 0 HD11 ILE A 82 -11.448 -8.865 -0.658 1.00 31.21 H new ATOM 0 HD12 ILE A 82 -10.230 -8.475 0.579 1.00 31.21 H new ATOM 0 HD13 ILE A 82 -9.908 -8.110 -1.132 1.00 31.21 H new ATOM 1331 N ILE A 83 -5.627 -11.671 0.770 1.00 23.44 N ATOM 1332 CA ILE A 83 -4.171 -11.776 1.015 1.00 5.01 C ATOM 1333 C ILE A 83 -3.615 -13.109 0.458 1.00 63.03 C ATOM 1334 O ILE A 83 -2.594 -13.107 -0.223 1.00 75.33 O ATOM 1335 CB ILE A 83 -3.829 -11.595 2.549 1.00 44.04 C ATOM 1336 CG1 ILE A 83 -4.142 -10.127 2.988 1.00 44.00 C ATOM 1337 CG2 ILE A 83 -2.362 -11.980 2.893 1.00 50.10 C ATOM 1338 CD1 ILE A 83 -3.294 -9.049 2.306 1.00 63.40 C ATOM 0 H ILE A 83 -6.182 -11.524 1.613 1.00 23.44 H new ATOM 0 HA ILE A 83 -3.680 -10.963 0.480 1.00 5.01 H new ATOM 0 HB ILE A 83 -4.460 -12.285 3.109 1.00 44.04 H new ATOM 0 HG12 ILE A 83 -5.193 -9.921 2.787 1.00 44.00 H new ATOM 0 HG13 ILE A 83 -4.002 -10.049 4.066 1.00 44.00 H new ATOM 0 HG21 ILE A 83 -2.188 -11.835 3.959 1.00 50.10 H new ATOM 0 HG22 ILE A 83 -2.191 -13.025 2.637 1.00 50.10 H new ATOM 0 HG23 ILE A 83 -1.678 -11.350 2.325 1.00 50.10 H new ATOM 0 HD11 ILE A 83 -3.587 -8.067 2.677 1.00 63.40 H new ATOM 0 HD12 ILE A 83 -2.241 -9.221 2.527 1.00 63.40 H new ATOM 0 HD13 ILE A 83 -3.451 -9.091 1.228 1.00 63.40 H new ATOM 1350 N GLU A 84 -4.363 -14.213 0.679 1.00 21.12 N ATOM 1351 CA GLU A 84 -3.991 -15.562 0.199 1.00 33.00 C ATOM 1352 C GLU A 84 -3.854 -15.606 -1.337 1.00 12.15 C ATOM 1353 O GLU A 84 -2.864 -16.144 -1.865 1.00 71.42 O ATOM 1354 CB GLU A 84 -5.038 -16.607 0.672 1.00 40.34 C ATOM 1355 CG GLU A 84 -4.737 -18.062 0.243 1.00 74.34 C ATOM 1356 CD GLU A 84 -5.848 -19.042 0.637 1.00 43.31 C ATOM 1357 OE1 GLU A 84 -5.734 -19.710 1.691 1.00 31.41 O ATOM 1358 OE2 GLU A 84 -6.847 -19.141 -0.102 1.00 62.24 O ATOM 0 H GLU A 84 -5.242 -14.193 1.196 1.00 21.12 H new ATOM 0 HA GLU A 84 -3.018 -15.807 0.625 1.00 33.00 H new ATOM 0 HB2 GLU A 84 -5.103 -16.569 1.759 1.00 40.34 H new ATOM 0 HB3 GLU A 84 -6.016 -16.323 0.284 1.00 40.34 H new ATOM 0 HG2 GLU A 84 -4.596 -18.095 -0.837 1.00 74.34 H new ATOM 0 HG3 GLU A 84 -3.799 -18.383 0.696 1.00 74.34 H new ATOM 1365 N SER A 85 -4.838 -15.017 -2.040 1.00 3.53 N ATOM 1366 CA SER A 85 -4.869 -15.014 -3.508 1.00 11.01 C ATOM 1367 C SER A 85 -3.740 -14.143 -4.089 1.00 14.12 C ATOM 1368 O SER A 85 -3.143 -14.500 -5.110 1.00 22.32 O ATOM 1369 CB SER A 85 -6.256 -14.567 -4.022 1.00 22.52 C ATOM 1370 OG SER A 85 -6.649 -13.318 -3.483 1.00 13.24 O ATOM 0 H SER A 85 -5.626 -14.535 -1.608 1.00 3.53 H new ATOM 0 HA SER A 85 -4.698 -16.033 -3.854 1.00 11.01 H new ATOM 0 HB2 SER A 85 -6.234 -14.501 -5.110 1.00 22.52 H new ATOM 0 HB3 SER A 85 -6.998 -15.322 -3.763 1.00 22.52 H new ATOM 0 HG SER A 85 -5.988 -13.024 -2.822 1.00 13.24 H new ATOM 1376 N ILE A 86 -3.430 -13.019 -3.416 1.00 5.43 N ATOM 1377 CA ILE A 86 -2.336 -12.120 -3.836 1.00 74.54 C ATOM 1378 C ILE A 86 -0.955 -12.782 -3.569 1.00 54.23 C ATOM 1379 O ILE A 86 -0.007 -12.541 -4.312 1.00 73.43 O ATOM 1380 CB ILE A 86 -2.451 -10.698 -3.146 1.00 14.24 C ATOM 1381 CG1 ILE A 86 -3.848 -10.041 -3.433 1.00 2.33 C ATOM 1382 CG2 ILE A 86 -1.315 -9.742 -3.588 1.00 52.11 C ATOM 1383 CD1 ILE A 86 -4.183 -9.814 -4.906 1.00 40.44 C ATOM 0 H ILE A 86 -3.922 -12.711 -2.578 1.00 5.43 H new ATOM 0 HA ILE A 86 -2.426 -11.955 -4.910 1.00 74.54 H new ATOM 0 HB ILE A 86 -2.351 -10.862 -2.073 1.00 14.24 H new ATOM 0 HG12 ILE A 86 -4.622 -10.672 -2.996 1.00 2.33 H new ATOM 0 HG13 ILE A 86 -3.890 -9.081 -2.918 1.00 2.33 H new ATOM 0 HG21 ILE A 86 -1.435 -8.780 -3.090 1.00 52.11 H new ATOM 0 HG22 ILE A 86 -0.351 -10.173 -3.318 1.00 52.11 H new ATOM 0 HG23 ILE A 86 -1.359 -9.599 -4.668 1.00 52.11 H new ATOM 0 HD11 ILE A 86 -5.169 -9.356 -4.989 1.00 40.44 H new ATOM 0 HD12 ILE A 86 -3.438 -9.154 -5.351 1.00 40.44 H new ATOM 0 HD13 ILE A 86 -4.181 -10.769 -5.431 1.00 40.44 H new ATOM 1395 N ARG A 87 -0.867 -13.651 -2.529 1.00 13.42 N ATOM 1396 CA ARG A 87 0.371 -14.410 -2.217 1.00 43.24 C ATOM 1397 C ARG A 87 0.675 -15.471 -3.294 1.00 21.14 C ATOM 1398 O ARG A 87 1.825 -15.618 -3.715 1.00 33.40 O ATOM 1399 CB ARG A 87 0.291 -15.110 -0.826 1.00 33.41 C ATOM 1400 CG ARG A 87 0.271 -14.168 0.397 1.00 70.11 C ATOM 1401 CD ARG A 87 0.385 -14.935 1.733 1.00 11.44 C ATOM 1402 NE ARG A 87 -0.587 -16.047 1.833 1.00 15.43 N ATOM 1403 CZ ARG A 87 -1.533 -16.188 2.782 1.00 25.13 C ATOM 1404 NH1 ARG A 87 -1.670 -15.289 3.748 1.00 32.20 N ATOM 1405 NH2 ARG A 87 -2.339 -17.242 2.757 1.00 51.13 N ATOM 0 H ARG A 87 -1.640 -13.843 -1.892 1.00 13.42 H new ATOM 0 HA ARG A 87 1.177 -13.676 -2.198 1.00 43.24 H new ATOM 0 HB2 ARG A 87 -0.607 -15.727 -0.801 1.00 33.41 H new ATOM 0 HB3 ARG A 87 1.143 -15.783 -0.729 1.00 33.41 H new ATOM 0 HG2 ARG A 87 1.093 -13.457 0.318 1.00 70.11 H new ATOM 0 HG3 ARG A 87 -0.653 -13.589 0.391 1.00 70.11 H new ATOM 0 HD2 ARG A 87 1.396 -15.330 1.836 1.00 11.44 H new ATOM 0 HD3 ARG A 87 0.227 -14.243 2.560 1.00 11.44 H new ATOM 0 HE ARG A 87 -0.536 -16.773 1.118 1.00 15.43 H new ATOM 0 HH11 ARG A 87 -1.054 -14.477 3.780 1.00 32.20 H new ATOM 0 HH12 ARG A 87 -2.391 -15.410 4.459 1.00 32.20 H new ATOM 0 HH21 ARG A 87 -2.241 -17.942 2.021 1.00 51.13 H new ATOM 0 HH22 ARG A 87 -3.056 -17.352 3.474 1.00 51.13 H new ATOM 1419 N LYS A 88 -0.355 -16.228 -3.716 1.00 41.43 N ATOM 1420 CA LYS A 88 -0.165 -17.340 -4.674 1.00 43.54 C ATOM 1421 C LYS A 88 0.121 -16.818 -6.098 1.00 13.40 C ATOM 1422 O LYS A 88 0.925 -17.409 -6.825 1.00 61.21 O ATOM 1423 CB LYS A 88 -1.375 -18.316 -4.661 1.00 40.45 C ATOM 1424 CG LYS A 88 -2.711 -17.720 -5.139 1.00 53.43 C ATOM 1425 CD LYS A 88 -3.852 -18.759 -5.161 1.00 22.23 C ATOM 1426 CE LYS A 88 -5.161 -18.182 -5.713 1.00 13.45 C ATOM 1427 NZ LYS A 88 -6.212 -19.223 -5.820 1.00 53.14 N ATOM 0 H LYS A 88 -1.320 -16.094 -3.414 1.00 41.43 H new ATOM 0 HA LYS A 88 0.711 -17.901 -4.350 1.00 43.54 H new ATOM 0 HB2 LYS A 88 -1.134 -19.174 -5.289 1.00 40.45 H new ATOM 0 HB3 LYS A 88 -1.507 -18.691 -3.646 1.00 40.45 H new ATOM 0 HG2 LYS A 88 -2.990 -16.894 -4.485 1.00 53.43 H new ATOM 0 HG3 LYS A 88 -2.583 -17.306 -6.139 1.00 53.43 H new ATOM 0 HD2 LYS A 88 -3.550 -19.612 -5.768 1.00 22.23 H new ATOM 0 HD3 LYS A 88 -4.020 -19.131 -4.150 1.00 22.23 H new ATOM 0 HE2 LYS A 88 -5.508 -17.379 -5.063 1.00 13.45 H new ATOM 0 HE3 LYS A 88 -4.981 -17.743 -6.694 1.00 13.45 H new ATOM 0 HZ1 LYS A 88 -7.084 -18.799 -6.197 1.00 53.14 H new ATOM 0 HZ2 LYS A 88 -5.890 -19.977 -6.459 1.00 53.14 H new ATOM 0 HZ3 LYS A 88 -6.401 -19.624 -4.879 1.00 53.14 H new ATOM 1441 N GLN A 89 -0.538 -15.703 -6.483 1.00 42.14 N ATOM 1442 CA GLN A 89 -0.295 -15.050 -7.788 1.00 73.30 C ATOM 1443 C GLN A 89 1.060 -14.322 -7.793 1.00 75.43 C ATOM 1444 O GLN A 89 1.836 -14.418 -8.754 1.00 10.44 O ATOM 1445 CB GLN A 89 -1.434 -14.051 -8.117 1.00 43.14 C ATOM 1446 CG GLN A 89 -2.827 -14.688 -8.247 1.00 13.44 C ATOM 1447 CD GLN A 89 -3.916 -13.652 -8.524 1.00 64.21 C ATOM 1448 OE1 GLN A 89 -4.233 -13.357 -9.675 1.00 43.12 O ATOM 1449 NE2 GLN A 89 -4.474 -13.078 -7.471 1.00 51.40 N ATOM 0 H GLN A 89 -1.241 -15.237 -5.909 1.00 42.14 H new ATOM 0 HA GLN A 89 -0.274 -15.826 -8.553 1.00 73.30 H new ATOM 0 HB2 GLN A 89 -1.468 -13.290 -7.337 1.00 43.14 H new ATOM 0 HB3 GLN A 89 -1.194 -13.541 -9.050 1.00 43.14 H new ATOM 0 HG2 GLN A 89 -2.814 -15.422 -9.052 1.00 13.44 H new ATOM 0 HG3 GLN A 89 -3.065 -15.225 -7.329 1.00 13.44 H new ATOM 0 HE21 GLN A 89 -4.186 -13.348 -6.531 1.00 51.40 H new ATOM 0 HE22 GLN A 89 -5.192 -12.365 -7.599 1.00 51.40 H new ATOM 1458 N TYR A 90 1.324 -13.588 -6.703 1.00 35.30 N ATOM 1459 CA TYR A 90 2.533 -12.775 -6.543 1.00 3.00 C ATOM 1460 C TYR A 90 3.205 -13.143 -5.201 1.00 13.24 C ATOM 1461 O TYR A 90 2.825 -12.616 -4.154 1.00 15.05 O ATOM 1462 CB TYR A 90 2.167 -11.264 -6.572 1.00 23.35 C ATOM 1463 CG TYR A 90 1.254 -10.819 -7.726 1.00 23.14 C ATOM 1464 CD1 TYR A 90 1.761 -10.595 -9.005 1.00 55.14 C ATOM 1465 CD2 TYR A 90 -0.125 -10.615 -7.532 1.00 54.32 C ATOM 1466 CE1 TYR A 90 0.938 -10.188 -10.042 1.00 5.20 C ATOM 1467 CE2 TYR A 90 -0.948 -10.210 -8.569 1.00 22.13 C ATOM 1468 CZ TYR A 90 -0.412 -9.997 -9.821 1.00 63.13 C ATOM 1469 OH TYR A 90 -1.228 -9.593 -10.862 1.00 34.11 O ATOM 0 H TYR A 90 0.696 -13.543 -5.900 1.00 35.30 H new ATOM 0 HA TYR A 90 3.225 -12.973 -7.362 1.00 3.00 H new ATOM 0 HB2 TYR A 90 1.681 -11.009 -5.630 1.00 23.35 H new ATOM 0 HB3 TYR A 90 3.090 -10.687 -6.621 1.00 23.35 H new ATOM 0 HD1 TYR A 90 2.815 -10.741 -9.191 1.00 55.14 H new ATOM 0 HD2 TYR A 90 -0.550 -10.778 -6.553 1.00 54.32 H new ATOM 0 HE1 TYR A 90 1.352 -10.020 -11.025 1.00 5.20 H new ATOM 0 HE2 TYR A 90 -2.004 -10.062 -8.398 1.00 22.13 H new ATOM 0 HH TYR A 90 -2.150 -9.506 -10.540 1.00 34.11 H new ATOM 1479 N PRO A 91 4.159 -14.109 -5.185 1.00 74.13 N ATOM 1480 CA PRO A 91 4.858 -14.502 -3.936 1.00 42.41 C ATOM 1481 C PRO A 91 5.931 -13.477 -3.496 1.00 53.12 C ATOM 1482 O PRO A 91 6.330 -13.450 -2.327 1.00 62.34 O ATOM 1483 CB PRO A 91 5.472 -15.867 -4.311 1.00 44.03 C ATOM 1484 CG PRO A 91 5.719 -15.784 -5.790 1.00 31.01 C ATOM 1485 CD PRO A 91 4.601 -14.925 -6.353 1.00 42.03 C ATOM 0 HA PRO A 91 4.191 -14.548 -3.075 1.00 42.41 H new ATOM 0 HB2 PRO A 91 6.398 -16.048 -3.765 1.00 44.03 H new ATOM 0 HB3 PRO A 91 4.794 -16.686 -4.069 1.00 44.03 H new ATOM 0 HG2 PRO A 91 6.693 -15.342 -5.999 1.00 31.01 H new ATOM 0 HG3 PRO A 91 5.715 -16.776 -6.243 1.00 31.01 H new ATOM 0 HD2 PRO A 91 4.953 -14.296 -7.171 1.00 42.03 H new ATOM 0 HD3 PRO A 91 3.787 -15.534 -6.747 1.00 42.03 H new ATOM 1493 N LYS A 92 6.382 -12.640 -4.450 1.00 43.20 N ATOM 1494 CA LYS A 92 7.463 -11.657 -4.230 1.00 51.42 C ATOM 1495 C LYS A 92 6.960 -10.317 -3.647 1.00 4.21 C ATOM 1496 O LYS A 92 7.775 -9.529 -3.156 1.00 42.11 O ATOM 1497 CB LYS A 92 8.243 -11.430 -5.565 1.00 24.30 C ATOM 1498 CG LYS A 92 9.024 -12.672 -6.067 1.00 33.15 C ATOM 1499 CD LYS A 92 10.124 -13.141 -5.079 1.00 54.23 C ATOM 1500 CE LYS A 92 11.229 -12.084 -4.872 1.00 71.51 C ATOM 1501 NZ LYS A 92 12.219 -12.490 -3.832 1.00 75.11 N ATOM 0 H LYS A 92 6.006 -12.626 -5.398 1.00 43.20 H new ATOM 0 HA LYS A 92 8.133 -12.074 -3.478 1.00 51.42 H new ATOM 0 HB2 LYS A 92 7.537 -11.123 -6.337 1.00 24.30 H new ATOM 0 HB3 LYS A 92 8.943 -10.606 -5.427 1.00 24.30 H new ATOM 0 HG2 LYS A 92 8.324 -13.490 -6.236 1.00 33.15 H new ATOM 0 HG3 LYS A 92 9.482 -12.441 -7.029 1.00 33.15 H new ATOM 0 HD2 LYS A 92 9.667 -13.376 -4.118 1.00 54.23 H new ATOM 0 HD3 LYS A 92 10.573 -14.062 -5.452 1.00 54.23 H new ATOM 0 HE2 LYS A 92 11.747 -11.915 -5.816 1.00 71.51 H new ATOM 0 HE3 LYS A 92 10.772 -11.137 -4.585 1.00 71.51 H new ATOM 0 HZ1 LYS A 92 12.940 -11.747 -3.730 1.00 75.11 H new ATOM 0 HZ2 LYS A 92 11.732 -12.626 -2.923 1.00 75.11 H new ATOM 0 HZ3 LYS A 92 12.676 -13.380 -4.116 1.00 75.11 H new ATOM 1515 N VAL A 93 5.637 -10.050 -3.698 1.00 42.04 N ATOM 1516 CA VAL A 93 5.055 -8.828 -3.084 1.00 50.41 C ATOM 1517 C VAL A 93 4.926 -9.015 -1.561 1.00 52.44 C ATOM 1518 O VAL A 93 4.609 -10.116 -1.092 1.00 53.44 O ATOM 1519 CB VAL A 93 3.642 -8.456 -3.698 1.00 34.14 C ATOM 1520 CG1 VAL A 93 2.629 -9.598 -3.542 1.00 4.31 C ATOM 1521 CG2 VAL A 93 3.069 -7.151 -3.094 1.00 11.24 C ATOM 0 H VAL A 93 4.954 -10.656 -4.153 1.00 42.04 H new ATOM 0 HA VAL A 93 5.734 -8.004 -3.303 1.00 50.41 H new ATOM 0 HB VAL A 93 3.810 -8.292 -4.762 1.00 34.14 H new ATOM 0 HG11 VAL A 93 1.675 -9.300 -3.976 1.00 4.31 H new ATOM 0 HG12 VAL A 93 3.000 -10.486 -4.055 1.00 4.31 H new ATOM 0 HG13 VAL A 93 2.492 -9.821 -2.484 1.00 4.31 H new ATOM 0 HG21 VAL A 93 2.100 -6.936 -3.545 1.00 11.24 H new ATOM 0 HG22 VAL A 93 2.950 -7.270 -2.017 1.00 11.24 H new ATOM 0 HG23 VAL A 93 3.753 -6.326 -3.294 1.00 11.24 H new ATOM 1531 N GLU A 94 5.203 -7.954 -0.787 1.00 40.12 N ATOM 1532 CA GLU A 94 4.930 -7.945 0.653 1.00 5.24 C ATOM 1533 C GLU A 94 3.421 -7.794 0.881 1.00 74.14 C ATOM 1534 O GLU A 94 2.843 -6.778 0.514 1.00 70.33 O ATOM 1535 CB GLU A 94 5.705 -6.799 1.350 1.00 2.54 C ATOM 1536 CG GLU A 94 7.235 -6.973 1.350 1.00 70.32 C ATOM 1537 CD GLU A 94 7.694 -8.282 2.024 1.00 33.04 C ATOM 1538 OE1 GLU A 94 7.449 -8.455 3.236 1.00 33.30 O ATOM 1539 OE2 GLU A 94 8.309 -9.137 1.349 1.00 34.23 O ATOM 0 H GLU A 94 5.617 -7.091 -1.138 1.00 40.12 H new ATOM 0 HA GLU A 94 5.266 -8.886 1.087 1.00 5.24 H new ATOM 0 HB2 GLU A 94 5.459 -5.858 0.858 1.00 2.54 H new ATOM 0 HB3 GLU A 94 5.361 -6.719 2.381 1.00 2.54 H new ATOM 0 HG2 GLU A 94 7.597 -6.954 0.322 1.00 70.32 H new ATOM 0 HG3 GLU A 94 7.691 -6.127 1.864 1.00 70.32 H new ATOM 1546 N THR A 95 2.782 -8.830 1.436 1.00 62.21 N ATOM 1547 CA THR A 95 1.345 -8.811 1.765 1.00 32.32 C ATOM 1548 C THR A 95 1.157 -9.025 3.266 1.00 13.11 C ATOM 1549 O THR A 95 1.803 -9.899 3.852 1.00 4.14 O ATOM 1550 CB THR A 95 0.556 -9.916 0.983 1.00 5.10 C ATOM 1551 OG1 THR A 95 1.128 -11.209 1.241 1.00 51.42 O ATOM 1552 CG2 THR A 95 0.548 -9.666 -0.528 1.00 55.42 C ATOM 0 H THR A 95 3.244 -9.708 1.672 1.00 62.21 H new ATOM 0 HA THR A 95 0.951 -7.839 1.470 1.00 32.32 H new ATOM 0 HB THR A 95 -0.474 -9.880 1.337 1.00 5.10 H new ATOM 0 HG1 THR A 95 0.453 -11.790 1.651 1.00 51.42 H new ATOM 0 HG21 THR A 95 -0.011 -10.459 -1.025 1.00 55.42 H new ATOM 0 HG22 THR A 95 0.077 -8.705 -0.735 1.00 55.42 H new ATOM 0 HG23 THR A 95 1.572 -9.656 -0.901 1.00 55.42 H new ATOM 1560 N ARG A 96 0.261 -8.251 3.875 1.00 43.21 N ATOM 1561 CA ARG A 96 -0.108 -8.409 5.279 1.00 23.14 C ATOM 1562 C ARG A 96 -1.596 -8.082 5.436 1.00 33.44 C ATOM 1563 O ARG A 96 -2.072 -7.060 4.931 1.00 42.15 O ATOM 1564 CB ARG A 96 0.761 -7.506 6.200 1.00 20.53 C ATOM 1565 CG ARG A 96 0.443 -7.674 7.702 1.00 51.54 C ATOM 1566 CD ARG A 96 1.220 -6.709 8.608 1.00 34.30 C ATOM 1567 NE ARG A 96 0.907 -6.934 10.033 1.00 63.31 N ATOM 1568 CZ ARG A 96 0.724 -5.975 10.952 1.00 53.01 C ATOM 1569 NH1 ARG A 96 0.800 -4.690 10.631 1.00 3.43 N ATOM 1570 NH2 ARG A 96 0.486 -6.304 12.204 1.00 33.04 N ATOM 0 H ARG A 96 -0.232 -7.492 3.405 1.00 43.21 H new ATOM 0 HA ARG A 96 0.075 -9.439 5.584 1.00 23.14 H new ATOM 0 HB2 ARG A 96 1.813 -7.734 6.031 1.00 20.53 H new ATOM 0 HB3 ARG A 96 0.612 -6.463 5.919 1.00 20.53 H new ATOM 0 HG2 ARG A 96 -0.625 -7.524 7.857 1.00 51.54 H new ATOM 0 HG3 ARG A 96 0.667 -8.698 8.000 1.00 51.54 H new ATOM 0 HD2 ARG A 96 2.290 -6.837 8.445 1.00 34.30 H new ATOM 0 HD3 ARG A 96 0.977 -5.681 8.339 1.00 34.30 H new ATOM 0 HE ARG A 96 0.823 -7.901 10.345 1.00 63.31 H new ATOM 0 HH11 ARG A 96 1.001 -4.416 9.669 1.00 3.43 H new ATOM 0 HH12 ARG A 96 0.657 -3.976 11.346 1.00 3.43 H new ATOM 0 HH21 ARG A 96 0.441 -7.287 12.473 1.00 33.04 H new ATOM 0 HH22 ARG A 96 0.346 -5.576 12.905 1.00 33.04 H new ATOM 1584 N ARG A 97 -2.333 -8.984 6.089 1.00 1.32 N ATOM 1585 CA ARG A 97 -3.737 -8.782 6.418 1.00 63.41 C ATOM 1586 C ARG A 97 -3.842 -7.747 7.555 1.00 21.34 C ATOM 1587 O ARG A 97 -3.309 -7.956 8.653 1.00 32.41 O ATOM 1588 CB ARG A 97 -4.397 -10.138 6.800 1.00 11.22 C ATOM 1589 CG ARG A 97 -5.935 -10.061 7.061 1.00 63.11 C ATOM 1590 CD ARG A 97 -6.325 -10.499 8.478 1.00 24.41 C ATOM 1591 NE ARG A 97 -5.705 -9.656 9.505 1.00 62.24 N ATOM 1592 CZ ARG A 97 -6.315 -9.210 10.602 1.00 40.13 C ATOM 1593 NH1 ARG A 97 -7.589 -9.511 10.864 1.00 5.34 N ATOM 1594 NH2 ARG A 97 -5.653 -8.427 11.422 1.00 24.33 N ATOM 0 H ARG A 97 -1.964 -9.881 6.405 1.00 1.32 H new ATOM 0 HA ARG A 97 -4.276 -8.395 5.553 1.00 63.41 H new ATOM 0 HB2 ARG A 97 -4.213 -10.855 6.000 1.00 11.22 H new ATOM 0 HB3 ARG A 97 -3.909 -10.526 7.694 1.00 11.22 H new ATOM 0 HG2 ARG A 97 -6.275 -9.039 6.896 1.00 63.11 H new ATOM 0 HG3 ARG A 97 -6.453 -10.690 6.337 1.00 63.11 H new ATOM 0 HD2 ARG A 97 -7.409 -10.460 8.584 1.00 24.41 H new ATOM 0 HD3 ARG A 97 -6.026 -11.536 8.632 1.00 24.41 H new ATOM 0 HE ARG A 97 -4.730 -9.390 9.369 1.00 62.24 H new ATOM 0 HH11 ARG A 97 -8.118 -10.095 10.217 1.00 5.34 H new ATOM 0 HH12 ARG A 97 -8.033 -9.157 11.711 1.00 5.34 H new ATOM 0 HH21 ARG A 97 -4.688 -8.170 11.214 1.00 24.33 H new ATOM 0 HH22 ARG A 97 -6.104 -8.076 12.267 1.00 24.33 H new ATOM 1608 N ALA A 98 -4.535 -6.646 7.274 1.00 15.33 N ATOM 1609 CA ALA A 98 -4.654 -5.502 8.177 1.00 13.10 C ATOM 1610 C ALA A 98 -6.049 -4.915 7.992 1.00 20.51 C ATOM 1611 O ALA A 98 -6.405 -4.510 6.886 1.00 60.32 O ATOM 1612 CB ALA A 98 -3.562 -4.458 7.880 1.00 34.30 C ATOM 0 H ALA A 98 -5.039 -6.521 6.396 1.00 15.33 H new ATOM 0 HA ALA A 98 -4.516 -5.814 9.212 1.00 13.10 H new ATOM 0 HB1 ALA A 98 -3.669 -3.615 8.563 1.00 34.30 H new ATOM 0 HB2 ALA A 98 -2.580 -4.911 8.013 1.00 34.30 H new ATOM 0 HB3 ALA A 98 -3.663 -4.108 6.853 1.00 34.30 H new ATOM 1618 N GLN A 99 -6.843 -4.928 9.062 1.00 4.30 N ATOM 1619 CA GLN A 99 -8.240 -4.468 9.028 1.00 50.12 C ATOM 1620 C GLN A 99 -8.341 -3.098 9.695 1.00 51.42 C ATOM 1621 O GLN A 99 -8.723 -2.101 9.067 1.00 72.44 O ATOM 1622 CB GLN A 99 -9.178 -5.484 9.738 1.00 2.45 C ATOM 1623 CG GLN A 99 -9.099 -6.924 9.188 1.00 23.11 C ATOM 1624 CD GLN A 99 -10.152 -7.869 9.785 1.00 55.42 C ATOM 1625 OE1 GLN A 99 -10.595 -7.699 10.923 1.00 14.05 O ATOM 1626 NE2 GLN A 99 -10.530 -8.894 9.040 1.00 75.12 N ATOM 0 H GLN A 99 -6.541 -5.257 9.979 1.00 4.30 H new ATOM 0 HA GLN A 99 -8.558 -4.390 7.988 1.00 50.12 H new ATOM 0 HB2 GLN A 99 -8.936 -5.501 10.801 1.00 2.45 H new ATOM 0 HB3 GLN A 99 -10.206 -5.132 9.651 1.00 2.45 H new ATOM 0 HG2 GLN A 99 -9.219 -6.897 8.105 1.00 23.11 H new ATOM 0 HG3 GLN A 99 -8.106 -7.327 9.389 1.00 23.11 H new ATOM 0 HE21 GLN A 99 -10.148 -9.011 8.102 1.00 75.12 H new ATOM 0 HE22 GLN A 99 -11.204 -9.568 9.404 1.00 75.12 H new ATOM 1635 N ASP A 100 -7.940 -3.065 10.971 1.00 2.44 N ATOM 1636 CA ASP A 100 -8.102 -1.889 11.834 1.00 21.11 C ATOM 1637 C ASP A 100 -6.975 -0.879 11.573 1.00 11.32 C ATOM 1638 O ASP A 100 -5.893 -1.243 11.102 1.00 52.31 O ATOM 1639 CB ASP A 100 -8.142 -2.318 13.333 1.00 64.01 C ATOM 1640 CG ASP A 100 -8.624 -1.193 14.280 1.00 25.03 C ATOM 1641 OD1 ASP A 100 -9.848 -1.067 14.497 1.00 34.44 O ATOM 1642 OD2 ASP A 100 -7.790 -0.426 14.805 1.00 22.30 O ATOM 0 H ASP A 100 -7.493 -3.855 11.436 1.00 2.44 H new ATOM 0 HA ASP A 100 -9.050 -1.404 11.599 1.00 21.11 H new ATOM 0 HB2 ASP A 100 -8.801 -3.180 13.439 1.00 64.01 H new ATOM 0 HB3 ASP A 100 -7.146 -2.638 13.639 1.00 64.01 H new ATOM 1647 N LYS A 101 -7.259 0.380 11.913 1.00 13.40 N ATOM 1648 CA LYS A 101 -6.380 1.540 11.693 1.00 53.22 C ATOM 1649 C LYS A 101 -4.986 1.364 12.323 1.00 50.22 C ATOM 1650 O LYS A 101 -3.979 1.797 11.744 1.00 50.25 O ATOM 1651 CB LYS A 101 -7.094 2.790 12.255 1.00 12.51 C ATOM 1652 CG LYS A 101 -7.375 2.730 13.777 1.00 50.21 C ATOM 1653 CD LYS A 101 -8.338 3.830 14.265 1.00 44.00 C ATOM 1654 CE LYS A 101 -8.534 3.798 15.789 1.00 21.23 C ATOM 1655 NZ LYS A 101 -7.281 4.118 16.521 1.00 25.23 N ATOM 0 H LYS A 101 -8.137 0.633 12.365 1.00 13.40 H new ATOM 0 HA LYS A 101 -6.201 1.648 10.623 1.00 53.22 H new ATOM 0 HB2 LYS A 101 -6.484 3.669 12.044 1.00 12.51 H new ATOM 0 HB3 LYS A 101 -8.039 2.923 11.727 1.00 12.51 H new ATOM 0 HG2 LYS A 101 -7.794 1.755 14.023 1.00 50.21 H new ATOM 0 HG3 LYS A 101 -6.432 2.817 14.317 1.00 50.21 H new ATOM 0 HD2 LYS A 101 -7.951 4.806 13.971 1.00 44.00 H new ATOM 0 HD3 LYS A 101 -9.304 3.709 13.774 1.00 44.00 H new ATOM 0 HE2 LYS A 101 -9.309 4.511 16.069 1.00 21.23 H new ATOM 0 HE3 LYS A 101 -8.886 2.811 16.088 1.00 21.23 H new ATOM 0 HZ1 LYS A 101 -7.489 4.789 17.288 1.00 25.23 H new ATOM 0 HZ2 LYS A 101 -6.881 3.246 16.923 1.00 25.23 H new ATOM 0 HZ3 LYS A 101 -6.595 4.543 15.865 1.00 25.23 H new ATOM 1669 N GLU A 102 -4.945 0.684 13.488 1.00 73.42 N ATOM 1670 CA GLU A 102 -3.699 0.436 14.217 1.00 31.03 C ATOM 1671 C GLU A 102 -2.831 -0.584 13.471 1.00 50.34 C ATOM 1672 O GLU A 102 -1.623 -0.411 13.379 1.00 33.11 O ATOM 1673 CB GLU A 102 -3.973 -0.018 15.676 1.00 71.02 C ATOM 1674 CG GLU A 102 -4.790 -1.320 15.826 1.00 30.25 C ATOM 1675 CD GLU A 102 -4.870 -1.822 17.279 1.00 12.03 C ATOM 1676 OE1 GLU A 102 -3.957 -2.555 17.709 1.00 71.44 O ATOM 1677 OE2 GLU A 102 -5.832 -1.476 17.999 1.00 61.20 O ATOM 0 H GLU A 102 -5.773 0.297 13.941 1.00 73.42 H new ATOM 0 HA GLU A 102 -3.149 1.376 14.270 1.00 31.03 H new ATOM 0 HB2 GLU A 102 -3.017 -0.150 16.182 1.00 71.02 H new ATOM 0 HB3 GLU A 102 -4.501 0.783 16.194 1.00 71.02 H new ATOM 0 HG2 GLU A 102 -5.799 -1.153 15.450 1.00 30.25 H new ATOM 0 HG3 GLU A 102 -4.343 -2.096 15.205 1.00 30.25 H new ATOM 1684 N GLU A 103 -3.484 -1.611 12.907 1.00 3.33 N ATOM 1685 CA GLU A 103 -2.812 -2.706 12.190 1.00 1.23 C ATOM 1686 C GLU A 103 -2.175 -2.208 10.879 1.00 53.44 C ATOM 1687 O GLU A 103 -1.109 -2.680 10.475 1.00 54.53 O ATOM 1688 CB GLU A 103 -3.819 -3.856 11.911 1.00 63.35 C ATOM 1689 CG GLU A 103 -4.620 -4.313 13.154 1.00 3.43 C ATOM 1690 CD GLU A 103 -5.483 -5.560 12.910 1.00 41.40 C ATOM 1691 OE1 GLU A 103 -5.218 -6.619 13.531 1.00 51.34 O ATOM 1692 OE2 GLU A 103 -6.418 -5.500 12.086 1.00 55.32 O ATOM 0 H GLU A 103 -4.499 -1.706 12.935 1.00 3.33 H new ATOM 0 HA GLU A 103 -2.009 -3.086 12.821 1.00 1.23 H new ATOM 0 HB2 GLU A 103 -4.519 -3.532 11.141 1.00 63.35 H new ATOM 0 HB3 GLU A 103 -3.275 -4.711 11.509 1.00 63.35 H new ATOM 0 HG2 GLU A 103 -3.925 -4.517 13.968 1.00 3.43 H new ATOM 0 HG3 GLU A 103 -5.263 -3.496 13.481 1.00 3.43 H new ATOM 1699 N VAL A 104 -2.835 -1.232 10.240 1.00 10.15 N ATOM 1700 CA VAL A 104 -2.383 -0.667 8.968 1.00 15.21 C ATOM 1701 C VAL A 104 -1.178 0.260 9.176 1.00 3.24 C ATOM 1702 O VAL A 104 -0.151 0.086 8.517 1.00 63.24 O ATOM 1703 CB VAL A 104 -3.545 0.092 8.247 1.00 42.25 C ATOM 1704 CG1 VAL A 104 -3.077 0.706 6.907 1.00 72.22 C ATOM 1705 CG2 VAL A 104 -4.758 -0.847 8.054 1.00 4.42 C ATOM 0 H VAL A 104 -3.696 -0.815 10.593 1.00 10.15 H new ATOM 0 HA VAL A 104 -2.070 -1.493 8.329 1.00 15.21 H new ATOM 0 HB VAL A 104 -3.857 0.923 8.880 1.00 42.25 H new ATOM 0 HG11 VAL A 104 -3.910 1.225 6.434 1.00 72.22 H new ATOM 0 HG12 VAL A 104 -2.268 1.412 7.093 1.00 72.22 H new ATOM 0 HG13 VAL A 104 -2.722 -0.086 6.248 1.00 72.22 H new ATOM 0 HG21 VAL A 104 -5.560 -0.307 7.551 1.00 4.42 H new ATOM 0 HG22 VAL A 104 -4.462 -1.704 7.448 1.00 4.42 H new ATOM 0 HG23 VAL A 104 -5.108 -1.194 9.026 1.00 4.42 H new ATOM 1715 N LYS A 105 -1.301 1.225 10.113 1.00 73.20 N ATOM 1716 CA LYS A 105 -0.215 2.196 10.383 1.00 43.30 C ATOM 1717 C LYS A 105 1.045 1.490 10.945 1.00 42.21 C ATOM 1718 O LYS A 105 2.174 1.906 10.668 1.00 74.43 O ATOM 1719 CB LYS A 105 -0.696 3.332 11.328 1.00 73.13 C ATOM 1720 CG LYS A 105 -1.032 2.892 12.768 1.00 40.01 C ATOM 1721 CD LYS A 105 -1.580 4.045 13.643 1.00 72.41 C ATOM 1722 CE LYS A 105 -1.887 3.606 15.086 1.00 64.42 C ATOM 1723 NZ LYS A 105 -2.473 4.707 15.895 1.00 63.45 N ATOM 0 H LYS A 105 -2.132 1.353 10.691 1.00 73.20 H new ATOM 0 HA LYS A 105 0.061 2.654 9.433 1.00 43.30 H new ATOM 0 HB2 LYS A 105 0.078 4.099 11.371 1.00 73.13 H new ATOM 0 HB3 LYS A 105 -1.581 3.796 10.891 1.00 73.13 H new ATOM 0 HG2 LYS A 105 -1.768 2.089 12.734 1.00 40.01 H new ATOM 0 HG3 LYS A 105 -0.136 2.484 13.235 1.00 40.01 H new ATOM 0 HD2 LYS A 105 -0.853 4.857 13.662 1.00 72.41 H new ATOM 0 HD3 LYS A 105 -2.488 4.440 13.188 1.00 72.41 H new ATOM 0 HE2 LYS A 105 -2.578 2.763 15.068 1.00 64.42 H new ATOM 0 HE3 LYS A 105 -0.970 3.257 15.561 1.00 64.42 H new ATOM 0 HZ1 LYS A 105 -2.506 4.423 16.895 1.00 63.45 H new ATOM 0 HZ2 LYS A 105 -1.887 5.560 15.797 1.00 63.45 H new ATOM 0 HZ3 LYS A 105 -3.437 4.909 15.560 1.00 63.45 H new ATOM 1737 N ASP A 106 0.812 0.425 11.736 1.00 42.31 N ATOM 1738 CA ASP A 106 1.854 -0.505 12.231 1.00 42.22 C ATOM 1739 C ASP A 106 2.625 -1.163 11.068 1.00 73.10 C ATOM 1740 O ASP A 106 3.856 -1.265 11.108 1.00 64.23 O ATOM 1741 CB ASP A 106 1.163 -1.584 13.110 1.00 21.51 C ATOM 1742 CG ASP A 106 2.101 -2.673 13.645 1.00 43.22 C ATOM 1743 OD1 ASP A 106 2.712 -2.478 14.710 1.00 24.11 O ATOM 1744 OD2 ASP A 106 2.206 -3.747 13.023 1.00 62.12 O ATOM 0 H ASP A 106 -0.124 0.179 12.057 1.00 42.31 H new ATOM 0 HA ASP A 106 2.584 0.051 12.819 1.00 42.22 H new ATOM 0 HB2 ASP A 106 0.682 -1.091 13.955 1.00 21.51 H new ATOM 0 HB3 ASP A 106 0.374 -2.058 12.526 1.00 21.51 H new ATOM 1749 N ALA A 107 1.873 -1.594 10.036 1.00 22.23 N ATOM 1750 CA ALA A 107 2.430 -2.245 8.834 1.00 71.01 C ATOM 1751 C ALA A 107 3.279 -1.269 8.008 1.00 74.10 C ATOM 1752 O ALA A 107 4.314 -1.646 7.454 1.00 23.31 O ATOM 1753 CB ALA A 107 1.296 -2.810 7.972 1.00 62.21 C ATOM 0 H ALA A 107 0.858 -1.500 10.013 1.00 22.23 H new ATOM 0 HA ALA A 107 3.078 -3.058 9.163 1.00 71.01 H new ATOM 0 HB1 ALA A 107 1.715 -3.289 7.087 1.00 62.21 H new ATOM 0 HB2 ALA A 107 0.732 -3.543 8.548 1.00 62.21 H new ATOM 0 HB3 ALA A 107 0.633 -2.000 7.667 1.00 62.21 H new ATOM 1759 N VAL A 108 2.805 -0.016 7.938 1.00 24.42 N ATOM 1760 CA VAL A 108 3.485 1.081 7.232 1.00 23.55 C ATOM 1761 C VAL A 108 4.862 1.366 7.870 1.00 62.14 C ATOM 1762 O VAL A 108 5.906 1.280 7.199 1.00 12.42 O ATOM 1763 CB VAL A 108 2.571 2.371 7.225 1.00 72.35 C ATOM 1764 CG1 VAL A 108 3.301 3.609 6.661 1.00 31.51 C ATOM 1765 CG2 VAL A 108 1.264 2.092 6.437 1.00 13.21 C ATOM 0 H VAL A 108 1.928 0.268 8.375 1.00 24.42 H new ATOM 0 HA VAL A 108 3.658 0.784 6.198 1.00 23.55 H new ATOM 0 HB VAL A 108 2.322 2.602 8.261 1.00 72.35 H new ATOM 0 HG11 VAL A 108 2.629 4.467 6.679 1.00 31.51 H new ATOM 0 HG12 VAL A 108 4.179 3.823 7.271 1.00 31.51 H new ATOM 0 HG13 VAL A 108 3.611 3.412 5.635 1.00 31.51 H new ATOM 0 HG21 VAL A 108 0.641 2.986 6.438 1.00 13.21 H new ATOM 0 HG22 VAL A 108 1.509 1.821 5.410 1.00 13.21 H new ATOM 0 HG23 VAL A 108 0.723 1.272 6.909 1.00 13.21 H new ATOM 1775 N GLU A 109 4.832 1.623 9.190 1.00 14.22 N ATOM 1776 CA GLU A 109 6.025 1.889 10.017 1.00 22.43 C ATOM 1777 C GLU A 109 7.061 0.749 9.893 1.00 24.51 C ATOM 1778 O GLU A 109 8.265 1.002 9.766 1.00 54.12 O ATOM 1779 CB GLU A 109 5.576 2.050 11.494 1.00 62.21 C ATOM 1780 CG GLU A 109 6.718 2.254 12.505 1.00 12.40 C ATOM 1781 CD GLU A 109 6.251 2.298 13.970 1.00 54.34 C ATOM 1782 OE1 GLU A 109 5.510 1.384 14.393 1.00 45.21 O ATOM 1783 OE2 GLU A 109 6.658 3.213 14.720 1.00 33.23 O ATOM 0 H GLU A 109 3.963 1.652 9.722 1.00 14.22 H new ATOM 0 HA GLU A 109 6.505 2.803 9.668 1.00 22.43 H new ATOM 0 HB2 GLU A 109 4.897 2.900 11.560 1.00 62.21 H new ATOM 0 HB3 GLU A 109 5.009 1.165 11.784 1.00 62.21 H new ATOM 0 HG2 GLU A 109 7.442 1.448 12.388 1.00 12.40 H new ATOM 0 HG3 GLU A 109 7.236 3.184 12.271 1.00 12.40 H new ATOM 1790 N GLU A 110 6.548 -0.495 9.897 1.00 52.42 N ATOM 1791 CA GLU A 110 7.362 -1.721 9.843 1.00 42.24 C ATOM 1792 C GLU A 110 8.107 -1.845 8.498 1.00 34.53 C ATOM 1793 O GLU A 110 9.313 -2.110 8.464 1.00 72.24 O ATOM 1794 CB GLU A 110 6.452 -2.961 10.040 1.00 63.13 C ATOM 1795 CG GLU A 110 7.209 -4.284 10.266 1.00 71.54 C ATOM 1796 CD GLU A 110 8.014 -4.296 11.577 1.00 61.21 C ATOM 1797 OE1 GLU A 110 9.237 -4.062 11.559 1.00 44.43 O ATOM 1798 OE2 GLU A 110 7.413 -4.529 12.643 1.00 30.32 O ATOM 0 H GLU A 110 5.545 -0.678 9.938 1.00 52.42 H new ATOM 0 HA GLU A 110 8.102 -1.667 10.641 1.00 42.24 H new ATOM 0 HB2 GLU A 110 5.797 -2.782 10.893 1.00 63.13 H new ATOM 0 HB3 GLU A 110 5.813 -3.069 9.164 1.00 63.13 H new ATOM 0 HG2 GLU A 110 6.496 -5.108 10.276 1.00 71.54 H new ATOM 0 HG3 GLU A 110 7.885 -4.458 9.429 1.00 71.54 H new ATOM 1805 N PHE A 111 7.344 -1.633 7.406 1.00 71.43 N ATOM 1806 CA PHE A 111 7.828 -1.729 6.009 1.00 70.10 C ATOM 1807 C PHE A 111 8.993 -0.757 5.759 1.00 51.05 C ATOM 1808 O PHE A 111 9.950 -1.081 5.045 1.00 5.32 O ATOM 1809 CB PHE A 111 6.641 -1.417 5.048 1.00 32.21 C ATOM 1810 CG PHE A 111 6.909 -1.567 3.544 1.00 73.13 C ATOM 1811 CD1 PHE A 111 7.317 -2.784 3.006 1.00 2.33 C ATOM 1812 CD2 PHE A 111 6.697 -0.507 2.657 1.00 22.54 C ATOM 1813 CE1 PHE A 111 7.507 -2.940 1.648 1.00 50.13 C ATOM 1814 CE2 PHE A 111 6.895 -0.663 1.295 1.00 25.23 C ATOM 1815 CZ PHE A 111 7.298 -1.880 0.791 1.00 53.20 C ATOM 0 H PHE A 111 6.356 -1.386 7.469 1.00 71.43 H new ATOM 0 HA PHE A 111 8.199 -2.737 5.825 1.00 70.10 H new ATOM 0 HB2 PHE A 111 5.810 -2.071 5.312 1.00 32.21 H new ATOM 0 HB3 PHE A 111 6.313 -0.394 5.234 1.00 32.21 H new ATOM 0 HD1 PHE A 111 7.488 -3.623 3.664 1.00 2.33 H new ATOM 0 HD2 PHE A 111 6.373 0.449 3.040 1.00 22.54 H new ATOM 0 HE1 PHE A 111 7.821 -3.896 1.255 1.00 50.13 H new ATOM 0 HE2 PHE A 111 6.733 0.170 0.627 1.00 25.23 H new ATOM 0 HZ PHE A 111 7.450 -2.004 -0.271 1.00 53.20 H new ATOM 1825 N LEU A 112 8.881 0.429 6.373 1.00 2.43 N ATOM 1826 CA LEU A 112 9.865 1.513 6.234 1.00 24.42 C ATOM 1827 C LEU A 112 11.130 1.273 7.084 1.00 55.53 C ATOM 1828 O LEU A 112 12.249 1.476 6.594 1.00 23.44 O ATOM 1829 CB LEU A 112 9.185 2.855 6.598 1.00 15.22 C ATOM 1830 CG LEU A 112 7.944 3.203 5.717 1.00 31.51 C ATOM 1831 CD1 LEU A 112 7.219 4.460 6.207 1.00 73.34 C ATOM 1832 CD2 LEU A 112 8.331 3.328 4.236 1.00 51.32 C ATOM 0 H LEU A 112 8.100 0.665 6.985 1.00 2.43 H new ATOM 0 HA LEU A 112 10.204 1.543 5.199 1.00 24.42 H new ATOM 0 HB2 LEU A 112 8.877 2.822 7.643 1.00 15.22 H new ATOM 0 HB3 LEU A 112 9.918 3.657 6.507 1.00 15.22 H new ATOM 0 HG LEU A 112 7.244 2.374 5.815 1.00 31.51 H new ATOM 0 HD11 LEU A 112 6.363 4.661 5.562 1.00 73.34 H new ATOM 0 HD12 LEU A 112 6.875 4.306 7.230 1.00 73.34 H new ATOM 0 HD13 LEU A 112 7.902 5.309 6.178 1.00 73.34 H new ATOM 0 HD21 LEU A 112 7.446 3.571 3.648 1.00 51.32 H new ATOM 0 HD22 LEU A 112 9.072 4.118 4.119 1.00 51.32 H new ATOM 0 HD23 LEU A 112 8.750 2.384 3.888 1.00 51.32 H new ATOM 1844 N LYS A 113 10.963 0.836 8.351 1.00 44.02 N ATOM 1845 CA LYS A 113 12.112 0.605 9.265 1.00 13.34 C ATOM 1846 C LYS A 113 12.943 -0.623 8.847 1.00 3.03 C ATOM 1847 O LYS A 113 14.169 -0.625 9.016 1.00 5.55 O ATOM 1848 CB LYS A 113 11.637 0.495 10.748 1.00 52.13 C ATOM 1849 CG LYS A 113 11.117 1.835 11.302 1.00 31.11 C ATOM 1850 CD LYS A 113 10.643 1.781 12.771 1.00 33.53 C ATOM 1851 CE LYS A 113 10.171 3.166 13.257 1.00 45.21 C ATOM 1852 NZ LYS A 113 9.613 3.147 14.637 1.00 13.31 N ATOM 0 H LYS A 113 10.053 0.636 8.765 1.00 44.02 H new ATOM 0 HA LYS A 113 12.767 1.473 9.187 1.00 13.34 H new ATOM 0 HB2 LYS A 113 10.848 -0.254 10.819 1.00 52.13 H new ATOM 0 HB3 LYS A 113 12.464 0.147 11.366 1.00 52.13 H new ATOM 0 HG2 LYS A 113 11.908 2.580 11.216 1.00 31.11 H new ATOM 0 HG3 LYS A 113 10.290 2.175 10.679 1.00 31.11 H new ATOM 0 HD2 LYS A 113 9.829 1.062 12.867 1.00 33.53 H new ATOM 0 HD3 LYS A 113 11.456 1.428 13.405 1.00 33.53 H new ATOM 0 HE2 LYS A 113 11.010 3.861 13.221 1.00 45.21 H new ATOM 0 HE3 LYS A 113 9.413 3.545 12.571 1.00 45.21 H new ATOM 0 HZ1 LYS A 113 10.008 3.940 15.182 1.00 13.31 H new ATOM 0 HZ2 LYS A 113 8.578 3.238 14.594 1.00 13.31 H new ATOM 0 HZ3 LYS A 113 9.863 2.250 15.100 1.00 13.31 H new ATOM 1866 N GLU A 114 12.281 -1.648 8.272 1.00 1.13 N ATOM 1867 CA GLU A 114 12.965 -2.830 7.697 1.00 41.20 C ATOM 1868 C GLU A 114 13.297 -2.604 6.201 1.00 21.53 C ATOM 1869 O GLU A 114 13.482 -3.571 5.445 1.00 54.44 O ATOM 1870 CB GLU A 114 12.105 -4.117 7.885 1.00 3.15 C ATOM 1871 CG GLU A 114 11.849 -4.512 9.354 1.00 22.12 C ATOM 1872 CD GLU A 114 11.219 -5.911 9.517 1.00 43.44 C ATOM 1873 OE1 GLU A 114 11.874 -6.819 10.087 1.00 15.43 O ATOM 1874 OE2 GLU A 114 10.070 -6.112 9.083 1.00 55.12 O ATOM 0 H GLU A 114 11.265 -1.682 8.192 1.00 1.13 H new ATOM 0 HA GLU A 114 13.903 -2.969 8.234 1.00 41.20 H new ATOM 0 HB2 GLU A 114 11.145 -3.972 7.389 1.00 3.15 H new ATOM 0 HB3 GLU A 114 12.602 -4.946 7.381 1.00 3.15 H new ATOM 0 HG2 GLU A 114 12.792 -4.482 9.899 1.00 22.12 H new ATOM 0 HG3 GLU A 114 11.193 -3.772 9.811 1.00 22.12 H new ATOM 1881 N GLY A 115 13.380 -1.319 5.786 1.00 31.41 N ATOM 1882 CA GLY A 115 13.823 -0.955 4.442 1.00 65.44 C ATOM 1883 C GLY A 115 12.716 -1.097 3.412 1.00 75.43 C ATOM 1884 O GLY A 115 12.092 -0.108 3.029 1.00 70.53 O ATOM 0 H GLY A 115 13.142 -0.521 6.375 1.00 31.41 H new ATOM 0 HA2 GLY A 115 14.182 0.074 4.447 1.00 65.44 H new ATOM 0 HA3 GLY A 115 14.665 -1.585 4.156 1.00 65.44 H new ATOM 1888 N GLY A 116 12.462 -2.341 2.986 1.00 41.13 N ATOM 1889 CA GLY A 116 11.420 -2.639 2.005 1.00 42.02 C ATOM 1890 C GLY A 116 10.847 -4.027 2.207 1.00 73.33 C ATOM 1891 O GLY A 116 10.711 -4.797 1.243 1.00 44.30 O ATOM 0 H GLY A 116 12.972 -3.162 3.312 1.00 41.13 H new ATOM 0 HA2 GLY A 116 10.623 -1.900 2.084 1.00 42.02 H new ATOM 0 HA3 GLY A 116 11.832 -2.557 0.999 1.00 42.02 H new ATOM 1895 N SER A 117 10.493 -4.339 3.470 1.00 50.03 N ATOM 1896 CA SER A 117 9.929 -5.647 3.851 1.00 64.41 C ATOM 1897 C SER A 117 9.220 -5.576 5.213 1.00 65.41 C ATOM 1898 O SER A 117 9.489 -4.683 6.017 1.00 40.31 O ATOM 1899 CB SER A 117 11.047 -6.716 3.901 1.00 71.42 C ATOM 1900 OG SER A 117 12.086 -6.339 4.800 1.00 5.00 O ATOM 0 H SER A 117 10.590 -3.692 4.252 1.00 50.03 H new ATOM 0 HA SER A 117 9.193 -5.924 3.096 1.00 64.41 H new ATOM 0 HB2 SER A 117 10.625 -7.672 4.211 1.00 71.42 H new ATOM 0 HB3 SER A 117 11.461 -6.859 2.903 1.00 71.42 H new ATOM 0 HG SER A 117 12.777 -7.034 4.812 1.00 5.00 H new ATOM 1906 N LEU A 118 8.284 -6.517 5.420 1.00 45.13 N ATOM 1907 CA LEU A 118 7.708 -6.852 6.726 1.00 71.50 C ATOM 1908 C LEU A 118 7.995 -8.334 6.949 1.00 43.23 C ATOM 1909 O LEU A 118 7.213 -9.199 6.514 1.00 23.14 O ATOM 1910 CB LEU A 118 6.167 -6.611 6.810 1.00 62.35 C ATOM 1911 CG LEU A 118 5.630 -5.235 6.315 1.00 75.41 C ATOM 1912 CD1 LEU A 118 5.601 -5.166 4.778 1.00 41.42 C ATOM 1913 CD2 LEU A 118 4.242 -4.945 6.923 1.00 41.44 C ATOM 0 H LEU A 118 7.899 -7.079 4.661 1.00 45.13 H new ATOM 0 HA LEU A 118 8.153 -6.207 7.484 1.00 71.50 H new ATOM 0 HB2 LEU A 118 5.672 -7.393 6.234 1.00 62.35 H new ATOM 0 HB3 LEU A 118 5.862 -6.738 7.849 1.00 62.35 H new ATOM 0 HG LEU A 118 6.315 -4.459 6.657 1.00 75.41 H new ATOM 0 HD11 LEU A 118 5.221 -4.193 4.465 1.00 41.42 H new ATOM 0 HD12 LEU A 118 6.610 -5.305 4.388 1.00 41.42 H new ATOM 0 HD13 LEU A 118 4.951 -5.951 4.391 1.00 41.42 H new ATOM 0 HD21 LEU A 118 3.883 -3.980 6.566 1.00 41.44 H new ATOM 0 HD22 LEU A 118 3.543 -5.726 6.623 1.00 41.44 H new ATOM 0 HD23 LEU A 118 4.318 -4.924 8.010 1.00 41.44 H new ATOM 1925 N GLU A 119 9.146 -8.625 7.561 1.00 62.01 N ATOM 1926 CA GLU A 119 9.576 -10.002 7.813 1.00 74.25 C ATOM 1927 C GLU A 119 8.644 -10.621 8.874 1.00 24.02 C ATOM 1928 O GLU A 119 8.817 -10.383 10.058 1.00 11.01 O ATOM 1929 CB GLU A 119 11.066 -10.033 8.246 1.00 3.23 C ATOM 1930 CG GLU A 119 11.673 -11.450 8.339 1.00 25.00 C ATOM 1931 CD GLU A 119 13.184 -11.452 8.619 1.00 31.24 C ATOM 1932 OE1 GLU A 119 13.977 -11.452 7.652 1.00 53.13 O ATOM 1933 OE2 GLU A 119 13.592 -11.460 9.804 1.00 75.14 O ATOM 0 H GLU A 119 9.802 -7.918 7.894 1.00 62.01 H new ATOM 0 HA GLU A 119 9.505 -10.596 6.902 1.00 74.25 H new ATOM 0 HB2 GLU A 119 11.650 -9.446 7.537 1.00 3.23 H new ATOM 0 HB3 GLU A 119 11.160 -9.546 9.217 1.00 3.23 H new ATOM 0 HG2 GLU A 119 11.164 -12.003 9.128 1.00 25.00 H new ATOM 0 HG3 GLU A 119 11.484 -11.980 7.405 1.00 25.00 H new ATOM 1940 N HIS A 120 7.650 -11.407 8.401 1.00 54.43 N ATOM 1941 CA HIS A 120 6.476 -11.874 9.199 1.00 42.20 C ATOM 1942 C HIS A 120 6.888 -12.542 10.524 1.00 4.44 C ATOM 1943 O HIS A 120 6.201 -12.430 11.540 1.00 53.44 O ATOM 1944 CB HIS A 120 5.608 -12.840 8.348 1.00 3.30 C ATOM 1945 CG HIS A 120 5.240 -12.282 6.995 1.00 32.21 C ATOM 1946 ND1 HIS A 120 4.231 -11.366 6.808 1.00 5.11 N ATOM 1947 CD2 HIS A 120 5.773 -12.496 5.765 1.00 72.43 C ATOM 1948 CE1 HIS A 120 4.162 -11.042 5.535 1.00 63.34 C ATOM 1949 NE2 HIS A 120 5.081 -11.712 4.880 1.00 31.33 N ATOM 0 H HIS A 120 7.634 -11.744 7.439 1.00 54.43 H new ATOM 0 HA HIS A 120 5.890 -10.993 9.462 1.00 42.20 H new ATOM 0 HB2 HIS A 120 6.148 -13.777 8.212 1.00 3.30 H new ATOM 0 HB3 HIS A 120 4.696 -13.075 8.896 1.00 3.30 H new ATOM 0 HD2 HIS A 120 6.591 -13.161 5.528 1.00 72.43 H new ATOM 0 HE1 HIS A 120 3.465 -10.341 5.101 1.00 63.34 H new ATOM 0 HE2 HIS A 120 5.252 -11.658 3.876 1.00 31.33 H new ATOM 1958 N HIS A 121 8.017 -13.242 10.477 1.00 34.41 N ATOM 1959 CA HIS A 121 8.745 -13.695 11.660 1.00 23.51 C ATOM 1960 C HIS A 121 10.092 -12.976 11.649 1.00 63.41 C ATOM 1961 O HIS A 121 10.990 -13.339 10.884 1.00 20.10 O ATOM 1962 CB HIS A 121 8.906 -15.229 11.644 1.00 54.10 C ATOM 1963 CG HIS A 121 7.588 -15.957 11.752 1.00 4.14 C ATOM 1964 ND1 HIS A 121 6.964 -16.575 10.685 1.00 23.12 N ATOM 1965 CD2 HIS A 121 6.767 -16.134 12.811 1.00 74.20 C ATOM 1966 CE1 HIS A 121 5.821 -17.094 11.088 1.00 63.20 C ATOM 1967 NE2 HIS A 121 5.681 -16.840 12.372 1.00 43.13 N ATOM 0 H HIS A 121 8.461 -13.516 9.600 1.00 34.41 H new ATOM 0 HA HIS A 121 8.204 -13.458 12.576 1.00 23.51 H new ATOM 0 HB2 HIS A 121 9.406 -15.528 10.723 1.00 54.10 H new ATOM 0 HB3 HIS A 121 9.551 -15.531 12.469 1.00 54.10 H new ATOM 0 HD2 HIS A 121 6.937 -15.783 13.818 1.00 74.20 H new ATOM 0 HE1 HIS A 121 5.119 -17.635 10.470 1.00 63.20 H new ATOM 0 HE2 HIS A 121 4.889 -17.124 12.948 1.00 43.13 H new ATOM 1976 N HIS A 122 10.185 -11.920 12.473 1.00 71.32 N ATOM 1977 CA HIS A 122 11.291 -10.935 12.448 1.00 62.00 C ATOM 1978 C HIS A 122 12.603 -11.543 12.995 1.00 33.52 C ATOM 1979 O HIS A 122 12.766 -12.767 12.955 1.00 51.15 O ATOM 1980 CB HIS A 122 10.847 -9.675 13.244 1.00 4.44 C ATOM 1981 CG HIS A 122 9.591 -9.039 12.717 1.00 72.10 C ATOM 1982 ND1 HIS A 122 9.585 -8.042 11.762 1.00 34.24 N ATOM 1983 CD2 HIS A 122 8.289 -9.303 12.981 1.00 2.02 C ATOM 1984 CE1 HIS A 122 8.341 -7.733 11.460 1.00 72.11 C ATOM 1985 NE2 HIS A 122 7.542 -8.480 12.184 1.00 74.54 N ATOM 0 H HIS A 122 9.486 -11.719 13.188 1.00 71.32 H new ATOM 0 HA HIS A 122 11.505 -10.646 11.419 1.00 62.00 H new ATOM 0 HB2 HIS A 122 10.694 -9.951 14.287 1.00 4.44 H new ATOM 0 HB3 HIS A 122 11.652 -8.940 13.223 1.00 4.44 H new ATOM 0 HD1 HIS A 122 10.415 -7.612 11.354 1.00 34.24 H new ATOM 0 HD2 HIS A 122 7.912 -10.027 13.688 1.00 2.02 H new ATOM 0 HE1 HIS A 122 8.031 -6.991 10.739 1.00 72.11 H new ATOM 1994 N HIS A 123 13.535 -10.676 13.477 1.00 70.04 N ATOM 1995 CA HIS A 123 14.879 -11.081 13.955 1.00 33.24 C ATOM 1996 C HIS A 123 14.795 -12.214 15.007 1.00 74.22 C ATOM 1997 O HIS A 123 14.604 -11.974 16.202 1.00 54.20 O ATOM 1998 CB HIS A 123 15.640 -9.845 14.511 1.00 34.12 C ATOM 1999 CG HIS A 123 17.070 -10.092 14.918 1.00 74.34 C ATOM 2000 ND1 HIS A 123 17.586 -9.666 16.123 1.00 14.11 N ATOM 2001 CD2 HIS A 123 18.111 -10.657 14.253 1.00 61.32 C ATOM 2002 CE1 HIS A 123 18.867 -9.958 16.184 1.00 32.41 C ATOM 2003 NE2 HIS A 123 19.209 -10.557 15.065 1.00 74.52 N ATOM 0 H HIS A 123 13.370 -9.672 13.544 1.00 70.04 H new ATOM 0 HA HIS A 123 15.437 -11.480 13.108 1.00 33.24 H new ATOM 0 HB2 HIS A 123 15.626 -9.061 13.754 1.00 34.12 H new ATOM 0 HB3 HIS A 123 15.096 -9.463 15.375 1.00 34.12 H new ATOM 0 HD2 HIS A 123 18.079 -11.101 13.269 1.00 61.32 H new ATOM 0 HE1 HIS A 123 19.526 -9.742 17.012 1.00 32.41 H new ATOM 0 HE2 HIS A 123 20.144 -10.894 14.838 1.00 74.52 H new ATOM 2012 N HIS A 124 14.832 -13.454 14.491 1.00 75.31 N ATOM 2013 CA HIS A 124 14.841 -14.711 15.273 1.00 14.33 C ATOM 2014 C HIS A 124 15.762 -15.737 14.572 1.00 33.14 C ATOM 2015 O HIS A 124 15.712 -16.934 14.873 1.00 21.24 O ATOM 2016 CB HIS A 124 13.397 -15.291 15.431 1.00 75.25 C ATOM 2017 CG HIS A 124 12.467 -14.467 16.293 1.00 53.41 C ATOM 2018 ND1 HIS A 124 12.457 -14.539 17.671 1.00 64.33 N ATOM 2019 CD2 HIS A 124 11.537 -13.535 15.967 1.00 62.35 C ATOM 2020 CE1 HIS A 124 11.561 -13.702 18.148 1.00 61.05 C ATOM 2021 NE2 HIS A 124 10.998 -13.079 17.137 1.00 53.11 N ATOM 0 H HIS A 124 14.857 -13.619 13.485 1.00 75.31 H new ATOM 0 HA HIS A 124 15.220 -14.501 16.273 1.00 14.33 H new ATOM 0 HB2 HIS A 124 12.953 -15.395 14.441 1.00 75.25 H new ATOM 0 HB3 HIS A 124 13.469 -16.293 15.855 1.00 75.25 H new ATOM 0 HD2 HIS A 124 11.272 -13.214 14.970 1.00 62.35 H new ATOM 0 HE1 HIS A 124 11.328 -13.552 19.192 1.00 61.05 H new ATOM 0 HE2 HIS A 124 10.272 -12.366 17.214 1.00 53.11 H new ATOM 2030 N HIS A 125 16.598 -15.237 13.634 1.00 33.43 N ATOM 2031 CA HIS A 125 17.635 -16.023 12.942 1.00 75.11 C ATOM 2032 C HIS A 125 18.875 -16.143 13.860 1.00 13.53 C ATOM 2033 O HIS A 125 19.542 -15.118 14.112 1.00 53.42 O ATOM 2034 CB HIS A 125 18.002 -15.354 11.584 1.00 13.03 C ATOM 2035 CG HIS A 125 19.169 -15.986 10.846 1.00 4.02 C ATOM 2036 ND1 HIS A 125 20.371 -15.333 10.630 1.00 72.34 N ATOM 2037 CD2 HIS A 125 19.314 -17.208 10.273 1.00 0.44 C ATOM 2038 CE1 HIS A 125 21.186 -16.120 9.956 1.00 45.32 C ATOM 2039 NE2 HIS A 125 20.572 -17.259 9.730 1.00 15.21 N ATOM 2040 OXT HIS A 125 19.179 -17.259 14.326 1.00 37.98 O ATOM 0 H HIS A 125 16.568 -14.262 13.335 1.00 33.43 H new ATOM 0 HA HIS A 125 17.259 -17.023 12.726 1.00 75.11 H new ATOM 0 HB2 HIS A 125 17.126 -15.380 10.936 1.00 13.03 H new ATOM 0 HB3 HIS A 125 18.233 -14.304 11.765 1.00 13.03 H new ATOM 0 HD2 HIS A 125 18.575 -17.995 10.249 1.00 0.44 H new ATOM 0 HE1 HIS A 125 22.189 -15.870 9.643 1.00 45.32 H new ATOM 0 HE2 HIS A 125 20.968 -18.055 9.230 1.00 15.21 H new TER 2049 HIS A 125