USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 86 TYR OH : rot -1:sc= 0.726 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.377 K(o=1.1,f=-0.96) USER MOD Set 2.1: A 29 TYR OH : rot -171:sc= 1.19 USER MOD Set 2.2: A 97 THR OG1 : rot 124:sc= 0.727 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.367 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.0295 (180deg=-0.164) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.483 K(o=-0.48,f=-2.8!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-6.6!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.887 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 155:sc= 0.669 USER MOD Single : A 54 SER OG : rot -27:sc= 0.296 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 59 GLN : amide:sc= -0.385 X(o=-0.38,f=-0.38) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 65 GLN : amide:sc= -0.0428 X(o=-0.043,f=0) USER MOD Single : A 67 SER OG : rot 86:sc= 1.33 USER MOD Single : A 69 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.23) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.691 USER MOD Single : A 80 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.11) USER MOD Single : A 81 THR OG1 : rot 78:sc= 0.118 USER MOD Single : A 87 CYS SG : rot 70:sc= -1.47 USER MOD Single : A 89 HIS : +bothHN:sc= 0.106 K(o=0.11,f=-3.8!) USER MOD Single : A 95 LYS NZ :NH3+ -159:sc= -0.0276 (180deg=-0.206) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.21) USER MOD Single : A 109 ASN : amide:sc= -0.0521 K(o=-0.052,f=-1.3) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0519 K(o=-0.052,f=-0.59) USER MOD Single : A 117 GLN : amide:sc= -0.0367 K(o=-0.037,f=-0.8) USER MOD Single : A 122 THR OG1 : rot -84:sc= 0.338 USER MOD Single : A 124 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.02) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.0034) USER MOD Single : A 129 SER OG : rot -92:sc= 0.0678 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 3.022 8.401 -6.502 1.00 13.00 N ATOM 2 CA GLY A 2 2.097 7.726 -5.610 1.00 45.03 C ATOM 3 C GLY A 2 2.511 6.298 -5.316 1.00 35.13 C ATOM 4 O GLY A 2 3.689 6.021 -5.091 1.00 70.25 O ATOM 0 HA2 GLY A 2 2.029 8.281 -4.674 1.00 45.03 H new ATOM 0 HA3 GLY A 2 1.102 7.728 -6.055 1.00 45.03 H new ATOM 8 N ALA A 3 1.541 5.390 -5.317 1.00 64.24 N ATOM 9 CA ALA A 3 1.812 3.984 -5.049 1.00 63.45 C ATOM 10 C ALA A 3 2.913 3.452 -5.959 1.00 14.42 C ATOM 11 O ALA A 3 2.923 3.722 -7.161 1.00 64.23 O ATOM 12 CB ALA A 3 0.542 3.160 -5.218 1.00 52.33 C ATOM 0 H ALA A 3 0.561 5.603 -5.500 1.00 64.24 H new ATOM 0 HA ALA A 3 2.156 3.897 -4.018 1.00 63.45 H new ATOM 0 HB1 ALA A 3 0.759 2.111 -5.015 1.00 52.33 H new ATOM 0 HB2 ALA A 3 -0.217 3.515 -4.521 1.00 52.33 H new ATOM 0 HB3 ALA A 3 0.175 3.263 -6.239 1.00 52.33 H new ATOM 18 N ARG A 4 3.842 2.699 -5.380 1.00 62.13 N ATOM 19 CA ARG A 4 4.949 2.132 -6.139 1.00 74.11 C ATOM 20 C ARG A 4 5.151 0.660 -5.791 1.00 23.53 C ATOM 21 O ARG A 4 5.707 0.331 -4.744 1.00 63.24 O ATOM 22 CB ARG A 4 6.236 2.913 -5.865 1.00 51.42 C ATOM 23 CG ARG A 4 6.659 3.814 -7.014 1.00 44.50 C ATOM 24 CD ARG A 4 8.160 3.752 -7.247 1.00 30.12 C ATOM 25 NE ARG A 4 8.915 4.105 -6.047 1.00 31.35 N ATOM 26 CZ ARG A 4 8.989 5.340 -5.562 1.00 23.33 C ATOM 27 NH1 ARG A 4 8.357 6.334 -6.170 1.00 31.44 N1+ ATOM 28 NH2 ARG A 4 9.696 5.582 -4.466 1.00 13.12 N ATOM 0 H ARG A 4 3.850 2.467 -4.387 1.00 62.13 H new ATOM 0 HA ARG A 4 4.705 2.206 -7.199 1.00 74.11 H new ATOM 0 HB2 ARG A 4 6.099 3.520 -4.970 1.00 51.42 H new ATOM 0 HB3 ARG A 4 7.040 2.208 -5.652 1.00 51.42 H new ATOM 0 HG2 ARG A 4 6.136 3.516 -7.923 1.00 44.50 H new ATOM 0 HG3 ARG A 4 6.365 4.841 -6.799 1.00 44.50 H new ATOM 0 HD2 ARG A 4 8.436 2.747 -7.567 1.00 30.12 H new ATOM 0 HD3 ARG A 4 8.429 4.429 -8.057 1.00 30.12 H new ATOM 0 HE ARG A 4 9.412 3.363 -5.555 1.00 31.35 H new ATOM 0 HH11 ARG A 4 7.812 6.152 -7.013 1.00 31.44 H new ATOM 0 HH12 ARG A 4 8.416 7.281 -5.795 1.00 31.44 H new ATOM 0 HH21 ARG A 4 10.183 4.820 -3.995 1.00 13.12 H new ATOM 0 HH22 ARG A 4 9.752 6.530 -4.094 1.00 13.12 H new ATOM 42 N ALA A 5 4.696 -0.220 -6.677 1.00 64.53 N ATOM 43 CA ALA A 5 4.827 -1.656 -6.464 1.00 43.21 C ATOM 44 C ALA A 5 5.573 -2.316 -7.619 1.00 11.30 C ATOM 45 O ALA A 5 4.987 -2.616 -8.658 1.00 64.41 O ATOM 46 CB ALA A 5 3.456 -2.291 -6.287 1.00 1.21 C ATOM 0 H ALA A 5 4.233 0.037 -7.549 1.00 64.53 H new ATOM 0 HA ALA A 5 5.407 -1.812 -5.554 1.00 43.21 H new ATOM 0 HB1 ALA A 5 3.569 -3.363 -6.129 1.00 1.21 H new ATOM 0 HB2 ALA A 5 2.958 -1.848 -5.425 1.00 1.21 H new ATOM 0 HB3 ALA A 5 2.857 -2.117 -7.181 1.00 1.21 H new ATOM 52 N SER A 6 6.870 -2.538 -7.429 1.00 33.52 N ATOM 53 CA SER A 6 7.697 -3.159 -8.457 1.00 34.12 C ATOM 54 C SER A 6 8.642 -4.187 -7.846 1.00 73.54 C ATOM 55 O SER A 6 9.212 -3.968 -6.777 1.00 2.44 O ATOM 56 CB SER A 6 8.500 -2.094 -9.208 1.00 44.35 C ATOM 57 OG SER A 6 8.609 -0.905 -8.444 1.00 62.01 O ATOM 0 H SER A 6 7.370 -2.297 -6.573 1.00 33.52 H new ATOM 0 HA SER A 6 7.038 -3.669 -9.159 1.00 34.12 H new ATOM 0 HB2 SER A 6 9.495 -2.477 -9.435 1.00 44.35 H new ATOM 0 HB3 SER A 6 8.018 -1.875 -10.161 1.00 44.35 H new ATOM 0 HG SER A 6 9.128 -0.241 -8.944 1.00 62.01 H new ATOM 63 N VAL A 7 8.805 -5.314 -8.533 1.00 55.15 N ATOM 64 CA VAL A 7 9.682 -6.378 -8.060 1.00 60.24 C ATOM 65 C VAL A 7 11.049 -6.304 -8.731 1.00 60.02 C ATOM 66 O VAL A 7 12.064 -6.081 -8.072 1.00 15.42 O ATOM 67 CB VAL A 7 9.070 -7.768 -8.319 1.00 1.14 C ATOM 68 CG1 VAL A 7 10.000 -8.863 -7.823 1.00 53.12 C ATOM 69 CG2 VAL A 7 7.703 -7.879 -7.660 1.00 20.33 C ATOM 0 H VAL A 7 8.341 -5.513 -9.419 1.00 55.15 H new ATOM 0 HA VAL A 7 9.800 -6.235 -6.986 1.00 60.24 H new ATOM 0 HB VAL A 7 8.942 -7.894 -9.394 1.00 1.14 H new ATOM 0 HG11 VAL A 7 9.550 -9.837 -8.015 1.00 53.12 H new ATOM 0 HG12 VAL A 7 10.954 -8.795 -8.346 1.00 53.12 H new ATOM 0 HG13 VAL A 7 10.164 -8.744 -6.752 1.00 53.12 H new ATOM 0 HG21 VAL A 7 7.285 -8.867 -7.853 1.00 20.33 H new ATOM 0 HG22 VAL A 7 7.804 -7.732 -6.585 1.00 20.33 H new ATOM 0 HG23 VAL A 7 7.039 -7.118 -8.069 1.00 20.33 H new ATOM 79 N LEU A 8 11.066 -6.492 -10.046 1.00 75.24 N ATOM 80 CA LEU A 8 12.310 -6.446 -10.808 1.00 23.01 C ATOM 81 C LEU A 8 12.459 -5.109 -11.526 1.00 2.00 C ATOM 82 O LEU A 8 11.632 -4.746 -12.363 1.00 33.10 O ATOM 83 CB LEU A 8 12.351 -7.590 -11.823 1.00 32.21 C ATOM 84 CG LEU A 8 12.466 -8.999 -11.243 1.00 52.41 C ATOM 85 CD1 LEU A 8 12.303 -10.043 -12.337 1.00 11.42 C ATOM 86 CD2 LEU A 8 13.800 -9.175 -10.531 1.00 53.13 C ATOM 0 H LEU A 8 10.234 -6.677 -10.606 1.00 75.24 H new ATOM 0 HA LEU A 8 13.140 -6.557 -10.110 1.00 23.01 H new ATOM 0 HB2 LEU A 8 11.448 -7.542 -12.431 1.00 32.21 H new ATOM 0 HB3 LEU A 8 13.195 -7.425 -12.493 1.00 32.21 H new ATOM 0 HG LEU A 8 11.666 -9.137 -10.515 1.00 52.41 H new ATOM 0 HD11 LEU A 8 12.388 -11.040 -11.904 1.00 11.42 H new ATOM 0 HD12 LEU A 8 11.324 -9.932 -12.803 1.00 11.42 H new ATOM 0 HD13 LEU A 8 13.080 -9.906 -13.089 1.00 11.42 H new ATOM 0 HD21 LEU A 8 13.865 -10.184 -10.124 1.00 53.13 H new ATOM 0 HD22 LEU A 8 14.614 -9.016 -11.239 1.00 53.13 H new ATOM 0 HD23 LEU A 8 13.878 -8.451 -9.720 1.00 53.13 H new ATOM 98 N SER A 9 13.519 -4.379 -11.192 1.00 22.51 N ATOM 99 CA SER A 9 13.775 -3.080 -11.804 1.00 52.12 C ATOM 100 C SER A 9 14.051 -3.227 -13.296 1.00 35.52 C ATOM 101 O SER A 9 13.890 -4.306 -13.866 1.00 55.23 O ATOM 102 CB SER A 9 14.962 -2.397 -11.119 1.00 5.02 C ATOM 103 OG SER A 9 16.190 -2.835 -11.671 1.00 32.23 O ATOM 0 H SER A 9 14.214 -4.665 -10.502 1.00 22.51 H new ATOM 0 HA SER A 9 12.885 -2.463 -11.677 1.00 52.12 H new ATOM 0 HB2 SER A 9 14.876 -1.316 -11.228 1.00 5.02 H new ATOM 0 HB3 SER A 9 14.943 -2.612 -10.051 1.00 5.02 H new ATOM 0 HG SER A 9 16.932 -2.383 -11.218 1.00 32.23 H new ATOM 109 N GLY A 10 14.468 -2.133 -13.926 1.00 32.54 N ATOM 110 CA GLY A 10 14.760 -2.160 -15.348 1.00 44.02 C ATOM 111 C GLY A 10 15.832 -3.172 -15.700 1.00 74.22 C ATOM 112 O GLY A 10 15.652 -3.990 -16.601 1.00 22.43 O ATOM 0 H GLY A 10 14.609 -1.228 -13.477 1.00 32.54 H new ATOM 0 HA2 GLY A 10 13.849 -2.394 -15.899 1.00 44.02 H new ATOM 0 HA3 GLY A 10 15.081 -1.169 -15.669 1.00 44.02 H new ATOM 116 N GLY A 11 16.953 -3.117 -14.987 1.00 22.33 N ATOM 117 CA GLY A 11 18.043 -4.040 -15.247 1.00 62.43 C ATOM 118 C GLY A 11 17.671 -5.477 -14.938 1.00 23.32 C ATOM 119 O GLY A 11 18.019 -6.389 -15.688 1.00 33.33 O ATOM 0 H GLY A 11 17.126 -2.450 -14.235 1.00 22.33 H new ATOM 0 HA2 GLY A 11 18.340 -3.961 -16.293 1.00 62.43 H new ATOM 0 HA3 GLY A 11 18.908 -3.755 -14.648 1.00 62.43 H new ATOM 123 N GLU A 12 16.962 -5.679 -13.832 1.00 72.41 N ATOM 124 CA GLU A 12 16.545 -7.017 -13.427 1.00 13.30 C ATOM 125 C GLU A 12 15.527 -7.591 -14.407 1.00 5.15 C ATOM 126 O GLU A 12 15.527 -8.789 -14.691 1.00 14.24 O ATOM 127 CB GLU A 12 15.951 -6.984 -12.017 1.00 61.10 C ATOM 128 CG GLU A 12 16.769 -6.169 -11.030 1.00 14.01 C ATOM 129 CD GLU A 12 16.298 -6.342 -9.599 1.00 44.35 C ATOM 130 OE1 GLU A 12 15.317 -5.673 -9.213 1.00 3.32 O ATOM 131 OE2 GLU A 12 16.909 -7.146 -8.866 1.00 55.04 O1- ATOM 0 H GLU A 12 16.665 -4.935 -13.201 1.00 72.41 H new ATOM 0 HA GLU A 12 17.425 -7.660 -13.428 1.00 13.30 H new ATOM 0 HB2 GLU A 12 14.943 -6.573 -12.066 1.00 61.10 H new ATOM 0 HB3 GLU A 12 15.861 -8.005 -11.646 1.00 61.10 H new ATOM 0 HG2 GLU A 12 17.816 -6.463 -11.102 1.00 14.01 H new ATOM 0 HG3 GLU A 12 16.714 -5.115 -11.302 1.00 14.01 H new ATOM 138 N LEU A 13 14.659 -6.726 -14.922 1.00 64.31 N ATOM 139 CA LEU A 13 13.633 -7.146 -15.871 1.00 13.04 C ATOM 140 C LEU A 13 14.262 -7.778 -17.108 1.00 71.05 C ATOM 141 O LEU A 13 13.941 -8.910 -17.470 1.00 32.40 O ATOM 142 CB LEU A 13 12.769 -5.951 -16.279 1.00 61.11 C ATOM 143 CG LEU A 13 11.449 -6.285 -16.974 1.00 24.15 C ATOM 144 CD1 LEU A 13 10.569 -7.136 -16.071 1.00 2.51 C ATOM 145 CD2 LEU A 13 10.723 -5.010 -17.381 1.00 60.23 C ATOM 0 H LEU A 13 14.645 -5.731 -14.699 1.00 64.31 H new ATOM 0 HA LEU A 13 13.005 -7.892 -15.384 1.00 13.04 H new ATOM 0 HB2 LEU A 13 12.549 -5.366 -15.386 1.00 61.11 H new ATOM 0 HB3 LEU A 13 13.355 -5.314 -16.942 1.00 61.11 H new ATOM 0 HG LEU A 13 11.670 -6.858 -17.875 1.00 24.15 H new ATOM 0 HD11 LEU A 13 9.634 -7.363 -16.583 1.00 2.51 H new ATOM 0 HD12 LEU A 13 11.086 -8.065 -15.830 1.00 2.51 H new ATOM 0 HD13 LEU A 13 10.356 -6.590 -15.152 1.00 2.51 H new ATOM 0 HD21 LEU A 13 9.786 -5.267 -17.874 1.00 60.23 H new ATOM 0 HD22 LEU A 13 10.514 -4.411 -16.494 1.00 60.23 H new ATOM 0 HD23 LEU A 13 11.349 -4.438 -18.066 1.00 60.23 H new ATOM 157 N ASP A 14 15.162 -7.042 -17.751 1.00 41.31 N ATOM 158 CA ASP A 14 15.839 -7.531 -18.945 1.00 70.31 C ATOM 159 C ASP A 14 16.460 -8.903 -18.695 1.00 41.21 C ATOM 160 O ASP A 14 16.341 -9.809 -19.518 1.00 74.21 O ATOM 161 CB ASP A 14 16.919 -6.543 -19.387 1.00 3.40 C ATOM 162 CG ASP A 14 16.353 -5.388 -20.190 1.00 4.30 C ATOM 163 OD1 ASP A 14 15.299 -5.573 -20.833 1.00 51.51 O1- ATOM 164 OD2 ASP A 14 16.965 -4.299 -20.176 1.00 42.02 O ATOM 0 H ASP A 14 15.439 -6.103 -17.464 1.00 41.31 H new ATOM 0 HA ASP A 14 15.098 -7.626 -19.738 1.00 70.31 H new ATOM 0 HB2 ASP A 14 17.433 -6.153 -18.508 1.00 3.40 H new ATOM 0 HB3 ASP A 14 17.664 -7.067 -19.985 1.00 3.40 H new ATOM 169 N LYS A 15 17.123 -9.047 -17.552 1.00 3.45 N ATOM 170 CA LYS A 15 17.762 -10.306 -17.191 1.00 31.04 C ATOM 171 C LYS A 15 16.721 -11.395 -16.950 1.00 2.11 C ATOM 172 O LYS A 15 16.910 -12.545 -17.346 1.00 71.11 O ATOM 173 CB LYS A 15 18.625 -10.124 -15.941 1.00 51.01 C ATOM 174 CG LYS A 15 19.932 -9.397 -16.204 1.00 23.34 C ATOM 175 CD LYS A 15 20.560 -8.894 -14.915 1.00 75.50 C ATOM 176 CE LYS A 15 22.011 -9.334 -14.793 1.00 60.23 C ATOM 177 NZ LYS A 15 22.795 -8.422 -13.914 1.00 71.05 N1+ ATOM 0 H LYS A 15 17.231 -8.306 -16.860 1.00 3.45 H new ATOM 0 HA LYS A 15 18.398 -10.613 -18.021 1.00 31.04 H new ATOM 0 HB2 LYS A 15 18.055 -9.571 -15.194 1.00 51.01 H new ATOM 0 HB3 LYS A 15 18.843 -11.103 -15.515 1.00 51.01 H new ATOM 0 HG2 LYS A 15 20.626 -10.067 -16.711 1.00 23.34 H new ATOM 0 HG3 LYS A 15 19.753 -8.557 -16.875 1.00 23.34 H new ATOM 0 HD2 LYS A 15 20.505 -7.806 -14.883 1.00 75.50 H new ATOM 0 HD3 LYS A 15 19.993 -9.268 -14.063 1.00 75.50 H new ATOM 0 HE2 LYS A 15 22.051 -10.347 -14.393 1.00 60.23 H new ATOM 0 HE3 LYS A 15 22.466 -9.364 -15.783 1.00 60.23 H new ATOM 0 HZ1 LYS A 15 23.778 -8.756 -13.856 1.00 71.05 H new ATOM 0 HZ2 LYS A 15 22.778 -7.460 -14.309 1.00 71.05 H new ATOM 0 HZ3 LYS A 15 22.376 -8.413 -12.962 1.00 71.05 H new ATOM 191 N TRP A 16 15.625 -11.024 -16.300 1.00 62.12 N ATOM 192 CA TRP A 16 14.553 -11.970 -16.007 1.00 33.04 C ATOM 193 C TRP A 16 14.062 -12.648 -17.281 1.00 1.12 C ATOM 194 O TRP A 16 13.766 -13.842 -17.284 1.00 3.15 O ATOM 195 CB TRP A 16 13.391 -11.257 -15.313 1.00 72.41 C ATOM 196 CG TRP A 16 12.181 -12.125 -15.140 1.00 13.12 C ATOM 197 CD1 TRP A 16 11.042 -12.102 -15.893 1.00 22.45 C ATOM 198 CD2 TRP A 16 11.989 -13.141 -14.150 1.00 1.15 C ATOM 199 NE1 TRP A 16 10.154 -13.042 -15.431 1.00 61.55 N ATOM 200 CE2 TRP A 16 10.712 -13.694 -14.362 1.00 5.12 C ATOM 201 CE3 TRP A 16 12.774 -13.638 -13.106 1.00 63.52 C ATOM 202 CZ2 TRP A 16 10.202 -14.717 -13.568 1.00 71.15 C ATOM 203 CZ3 TRP A 16 12.267 -14.655 -12.319 1.00 44.33 C ATOM 204 CH2 TRP A 16 10.992 -15.185 -12.553 1.00 62.55 C ATOM 0 H TRP A 16 15.454 -10.076 -15.965 1.00 62.12 H new ATOM 0 HA TRP A 16 14.950 -12.736 -15.340 1.00 33.04 H new ATOM 0 HB2 TRP A 16 13.721 -10.906 -14.335 1.00 72.41 H new ATOM 0 HB3 TRP A 16 13.117 -10.375 -15.892 1.00 72.41 H new ATOM 0 HD1 TRP A 16 10.866 -11.442 -16.729 1.00 22.45 H new ATOM 0 HE1 TRP A 16 9.229 -13.225 -15.820 1.00 61.55 H new ATOM 0 HE3 TRP A 16 13.758 -13.235 -12.918 1.00 63.52 H new ATOM 0 HZ2 TRP A 16 9.219 -15.127 -13.746 1.00 71.15 H new ATOM 0 HZ3 TRP A 16 12.865 -15.048 -11.510 1.00 44.33 H new ATOM 0 HH2 TRP A 16 10.625 -15.979 -11.920 1.00 62.55 H new ATOM 215 N GLU A 17 13.980 -11.877 -18.362 1.00 61.24 N ATOM 216 CA GLU A 17 13.523 -12.406 -19.642 1.00 35.34 C ATOM 217 C GLU A 17 14.597 -13.278 -20.285 1.00 72.14 C ATOM 218 O GLU A 17 14.318 -14.056 -21.198 1.00 15.43 O ATOM 219 CB GLU A 17 13.149 -11.262 -20.587 1.00 44.40 C ATOM 220 CG GLU A 17 11.942 -10.463 -20.125 1.00 22.54 C ATOM 221 CD GLU A 17 11.466 -9.469 -21.168 1.00 71.53 C ATOM 222 OE1 GLU A 17 10.742 -9.884 -22.097 1.00 62.03 O1- ATOM 223 OE2 GLU A 17 11.819 -8.277 -21.055 1.00 63.31 O ATOM 0 H GLU A 17 14.224 -10.887 -18.377 1.00 61.24 H new ATOM 0 HA GLU A 17 12.642 -13.020 -19.458 1.00 35.34 H new ATOM 0 HB2 GLU A 17 14.002 -10.591 -20.687 1.00 44.40 H new ATOM 0 HB3 GLU A 17 12.947 -11.671 -21.577 1.00 44.40 H new ATOM 0 HG2 GLU A 17 11.129 -11.147 -19.883 1.00 22.54 H new ATOM 0 HG3 GLU A 17 12.193 -9.930 -19.208 1.00 22.54 H new ATOM 230 N LYS A 18 15.828 -13.144 -19.801 1.00 13.13 N ATOM 231 CA LYS A 18 16.945 -13.920 -20.326 1.00 54.45 C ATOM 232 C LYS A 18 17.187 -15.167 -19.480 1.00 1.34 C ATOM 233 O LYS A 18 18.323 -15.619 -19.336 1.00 11.53 O ATOM 234 CB LYS A 18 18.213 -13.064 -20.364 1.00 11.44 C ATOM 235 CG LYS A 18 19.210 -13.499 -21.425 1.00 3.04 C ATOM 236 CD LYS A 18 20.614 -13.020 -21.101 1.00 22.24 C ATOM 237 CE LYS A 18 21.429 -14.103 -20.411 1.00 23.30 C ATOM 238 NZ LYS A 18 21.202 -14.115 -18.940 1.00 4.55 N1+ ATOM 0 H LYS A 18 16.077 -12.505 -19.046 1.00 13.13 H new ATOM 0 HA LYS A 18 16.693 -14.233 -21.339 1.00 54.45 H new ATOM 0 HB2 LYS A 18 17.935 -12.025 -20.543 1.00 11.44 H new ATOM 0 HB3 LYS A 18 18.695 -13.101 -19.387 1.00 11.44 H new ATOM 0 HG2 LYS A 18 19.205 -14.586 -21.506 1.00 3.04 H new ATOM 0 HG3 LYS A 18 18.905 -13.106 -22.395 1.00 3.04 H new ATOM 0 HD2 LYS A 18 21.116 -12.715 -22.019 1.00 22.24 H new ATOM 0 HD3 LYS A 18 20.560 -12.140 -20.460 1.00 22.24 H new ATOM 0 HE2 LYS A 18 21.166 -15.076 -20.827 1.00 23.30 H new ATOM 0 HE3 LYS A 18 22.488 -13.945 -20.614 1.00 23.30 H new ATOM 0 HZ1 LYS A 18 21.964 -14.649 -18.475 1.00 4.55 H new ATOM 0 HZ2 LYS A 18 21.195 -13.139 -18.582 1.00 4.55 H new ATOM 0 HZ3 LYS A 18 20.288 -14.566 -18.733 1.00 4.55 H new ATOM 252 N ILE A 19 16.112 -15.717 -18.927 1.00 41.23 N ATOM 253 CA ILE A 19 16.208 -16.912 -18.098 1.00 71.34 C ATOM 254 C ILE A 19 15.268 -18.005 -18.599 1.00 14.40 C ATOM 255 O ILE A 19 14.090 -17.754 -18.854 1.00 74.13 O ATOM 256 CB ILE A 19 15.881 -16.605 -16.625 1.00 30.13 C ATOM 257 CG1 ILE A 19 16.838 -15.543 -16.079 1.00 63.45 C ATOM 258 CG2 ILE A 19 15.957 -17.874 -15.789 1.00 24.44 C ATOM 259 CD1 ILE A 19 16.333 -14.862 -14.826 1.00 50.15 C ATOM 0 H ILE A 19 15.165 -15.355 -19.038 1.00 41.23 H new ATOM 0 HA ILE A 19 17.238 -17.261 -18.167 1.00 71.34 H new ATOM 0 HB ILE A 19 14.864 -16.216 -16.567 1.00 30.13 H new ATOM 0 HG12 ILE A 19 17.801 -16.008 -15.867 1.00 63.45 H new ATOM 0 HG13 ILE A 19 17.009 -14.790 -16.848 1.00 63.45 H new ATOM 0 HG21 ILE A 19 15.723 -17.640 -14.750 1.00 24.44 H new ATOM 0 HG22 ILE A 19 15.240 -18.602 -16.167 1.00 24.44 H new ATOM 0 HG23 ILE A 19 16.963 -18.290 -15.850 1.00 24.44 H new ATOM 0 HD11 ILE A 19 17.062 -14.122 -14.495 1.00 50.15 H new ATOM 0 HD12 ILE A 19 15.385 -14.368 -15.037 1.00 50.15 H new ATOM 0 HD13 ILE A 19 16.188 -15.605 -14.041 1.00 50.15 H new ATOM 271 N ARG A 20 15.797 -19.216 -18.734 1.00 30.11 N ATOM 272 CA ARG A 20 15.005 -20.347 -19.202 1.00 35.54 C ATOM 273 C ARG A 20 14.195 -20.954 -18.061 1.00 50.30 C ATOM 274 O ARG A 20 14.652 -21.002 -16.918 1.00 21.33 O ATOM 275 CB ARG A 20 15.915 -21.412 -19.820 1.00 44.14 C ATOM 276 CG ARG A 20 16.325 -21.107 -21.251 1.00 30.30 C ATOM 277 CD ARG A 20 17.579 -21.872 -21.645 1.00 13.11 C ATOM 278 NE ARG A 20 18.740 -20.995 -21.765 1.00 14.45 N ATOM 279 CZ ARG A 20 19.994 -21.433 -21.795 1.00 72.34 C ATOM 280 NH1 ARG A 20 20.246 -22.732 -21.715 1.00 15.15 N1+ ATOM 281 NH2 ARG A 20 20.997 -20.572 -21.906 1.00 54.43 N ATOM 0 H ARG A 20 16.770 -19.439 -18.526 1.00 30.11 H new ATOM 0 HA ARG A 20 14.313 -19.984 -19.962 1.00 35.54 H new ATOM 0 HB2 ARG A 20 16.811 -21.512 -19.208 1.00 44.14 H new ATOM 0 HB3 ARG A 20 15.403 -22.374 -19.795 1.00 44.14 H new ATOM 0 HG2 ARG A 20 15.511 -21.367 -21.927 1.00 30.30 H new ATOM 0 HG3 ARG A 20 16.501 -20.037 -21.360 1.00 30.30 H new ATOM 0 HD2 ARG A 20 17.782 -22.643 -20.901 1.00 13.11 H new ATOM 0 HD3 ARG A 20 17.410 -22.381 -22.594 1.00 13.11 H new ATOM 0 HE ARG A 20 18.579 -19.990 -21.829 1.00 14.45 H new ATOM 0 HH11 ARG A 20 19.477 -23.396 -21.630 1.00 15.15 H new ATOM 0 HH12 ARG A 20 21.209 -23.067 -21.738 1.00 15.15 H new ATOM 0 HH21 ARG A 20 20.806 -19.572 -21.968 1.00 54.43 H new ATOM 0 HH22 ARG A 20 21.959 -20.910 -21.929 1.00 54.43 H new ATOM 295 N LEU A 21 12.990 -21.416 -18.379 1.00 55.45 N ATOM 296 CA LEU A 21 12.116 -22.020 -17.380 1.00 4.20 C ATOM 297 C LEU A 21 12.557 -23.444 -17.058 1.00 60.04 C ATOM 298 O LEU A 21 12.430 -23.901 -15.922 1.00 74.33 O ATOM 299 CB LEU A 21 10.668 -22.022 -17.876 1.00 53.25 C ATOM 300 CG LEU A 21 10.136 -20.688 -18.397 1.00 3.13 C ATOM 301 CD1 LEU A 21 9.208 -20.908 -19.582 1.00 73.34 C ATOM 302 CD2 LEU A 21 9.417 -19.931 -17.290 1.00 4.52 C ATOM 0 H LEU A 21 12.597 -21.384 -19.320 1.00 55.45 H new ATOM 0 HA LEU A 21 12.182 -21.425 -16.469 1.00 4.20 H new ATOM 0 HB2 LEU A 21 10.579 -22.762 -18.672 1.00 53.25 H new ATOM 0 HB3 LEU A 21 10.026 -22.353 -17.060 1.00 53.25 H new ATOM 0 HG LEU A 21 10.983 -20.088 -18.731 1.00 3.13 H new ATOM 0 HD11 LEU A 21 8.839 -19.946 -19.939 1.00 73.34 H new ATOM 0 HD12 LEU A 21 9.753 -21.408 -20.383 1.00 73.34 H new ATOM 0 HD13 LEU A 21 8.366 -21.528 -19.274 1.00 73.34 H new ATOM 0 HD21 LEU A 21 9.045 -18.983 -17.680 1.00 4.52 H new ATOM 0 HD22 LEU A 21 8.580 -20.527 -16.926 1.00 4.52 H new ATOM 0 HD23 LEU A 21 10.110 -19.739 -16.471 1.00 4.52 H new ATOM 314 N ARG A 22 13.077 -24.138 -18.065 1.00 51.44 N ATOM 315 CA ARG A 22 13.538 -25.510 -17.889 1.00 50.03 C ATOM 316 C ARG A 22 15.019 -25.634 -18.235 1.00 20.31 C ATOM 317 O ARG A 22 15.589 -24.800 -18.938 1.00 13.34 O ATOM 318 CB ARG A 22 12.718 -26.462 -18.761 1.00 53.00 C ATOM 319 CG ARG A 22 11.614 -27.182 -18.004 1.00 63.50 C ATOM 320 CD ARG A 22 10.887 -28.179 -18.894 1.00 40.31 C ATOM 321 NE ARG A 22 10.208 -27.524 -20.009 1.00 4.12 N ATOM 322 CZ ARG A 22 9.329 -28.134 -20.796 1.00 73.21 C ATOM 323 NH1 ARG A 22 9.024 -29.408 -20.590 1.00 31.51 N1+ ATOM 324 NH2 ARG A 22 8.754 -27.470 -21.790 1.00 3.22 N ATOM 0 H ARG A 22 13.190 -23.773 -19.011 1.00 51.44 H new ATOM 0 HA ARG A 22 13.403 -25.781 -16.842 1.00 50.03 H new ATOM 0 HB2 ARG A 22 12.276 -25.899 -19.583 1.00 53.00 H new ATOM 0 HB3 ARG A 22 13.385 -27.201 -19.204 1.00 53.00 H new ATOM 0 HG2 ARG A 22 12.039 -27.702 -17.145 1.00 63.50 H new ATOM 0 HG3 ARG A 22 10.903 -26.453 -17.615 1.00 63.50 H new ATOM 0 HD2 ARG A 22 11.600 -28.907 -19.281 1.00 40.31 H new ATOM 0 HD3 ARG A 22 10.159 -28.731 -18.300 1.00 40.31 H new ATOM 0 HE ARG A 22 10.421 -26.544 -20.194 1.00 4.12 H new ATOM 0 HH11 ARG A 22 9.465 -29.921 -19.826 1.00 31.51 H new ATOM 0 HH12 ARG A 22 8.349 -29.875 -21.195 1.00 31.51 H new ATOM 0 HH21 ARG A 22 8.987 -26.490 -21.951 1.00 3.22 H new ATOM 0 HH22 ARG A 22 8.079 -27.939 -22.394 1.00 3.22 H new ATOM 338 N PRO A 23 15.657 -26.701 -17.731 1.00 13.33 N ATOM 339 CA PRO A 23 17.080 -26.959 -17.974 1.00 40.43 C ATOM 340 C PRO A 23 17.360 -27.353 -19.420 1.00 65.10 C ATOM 341 O PRO A 23 18.393 -26.994 -19.983 1.00 64.34 O ATOM 342 CB PRO A 23 17.395 -28.124 -17.032 1.00 31.02 C ATOM 343 CG PRO A 23 16.089 -28.812 -16.832 1.00 62.10 C ATOM 344 CD PRO A 23 15.040 -27.736 -16.886 1.00 50.35 C ATOM 0 HA PRO A 23 17.690 -26.073 -17.798 1.00 40.43 H new ATOM 0 HB2 PRO A 23 18.134 -28.796 -17.467 1.00 31.02 H new ATOM 0 HB3 PRO A 23 17.805 -27.769 -16.086 1.00 31.02 H new ATOM 0 HG2 PRO A 23 15.920 -29.561 -17.606 1.00 62.10 H new ATOM 0 HG3 PRO A 23 16.065 -29.332 -15.875 1.00 62.10 H new ATOM 0 HD2 PRO A 23 14.109 -28.104 -17.317 1.00 50.35 H new ATOM 0 HD3 PRO A 23 14.803 -27.355 -15.892 1.00 50.35 H new ATOM 352 N GLY A 24 16.430 -28.093 -20.016 1.00 72.43 N ATOM 353 CA GLY A 24 16.595 -28.524 -21.393 1.00 52.42 C ATOM 354 C GLY A 24 15.589 -27.881 -22.326 1.00 11.12 C ATOM 355 O GLY A 24 15.280 -28.423 -23.385 1.00 24.45 O ATOM 0 H GLY A 24 15.566 -28.402 -19.571 1.00 72.43 H new ATOM 0 HA2 GLY A 24 17.603 -28.281 -21.728 1.00 52.42 H new ATOM 0 HA3 GLY A 24 16.494 -29.608 -21.446 1.00 52.42 H new ATOM 359 N GLY A 25 15.075 -26.719 -21.931 1.00 72.31 N ATOM 360 CA GLY A 25 14.102 -26.022 -22.750 1.00 24.04 C ATOM 361 C GLY A 25 14.644 -24.723 -23.315 1.00 44.42 C ATOM 362 O GLY A 25 15.707 -24.255 -22.906 1.00 60.21 O ATOM 0 H GLY A 25 15.316 -26.249 -21.058 1.00 72.31 H new ATOM 0 HA2 GLY A 25 13.791 -26.670 -23.570 1.00 24.04 H new ATOM 0 HA3 GLY A 25 13.213 -25.813 -22.154 1.00 24.04 H new ATOM 366 N LYS A 26 13.912 -24.139 -24.257 1.00 40.42 N ATOM 367 CA LYS A 26 14.324 -22.886 -24.879 1.00 4.22 C ATOM 368 C LYS A 26 13.471 -21.724 -24.380 1.00 1.23 C ATOM 369 O LYS A 26 13.910 -20.573 -24.379 1.00 43.02 O ATOM 370 CB LYS A 26 14.221 -22.991 -26.402 1.00 12.31 C ATOM 371 CG LYS A 26 12.793 -22.947 -26.919 1.00 34.05 C ATOM 372 CD LYS A 26 12.737 -23.182 -28.419 1.00 20.32 C ATOM 373 CE LYS A 26 12.034 -24.489 -28.752 1.00 72.25 C ATOM 374 NZ LYS A 26 10.552 -24.348 -28.716 1.00 10.21 N1+ ATOM 0 H LYS A 26 13.030 -24.513 -24.607 1.00 40.42 H new ATOM 0 HA LYS A 26 15.361 -22.696 -24.603 1.00 4.22 H new ATOM 0 HB2 LYS A 26 14.787 -22.176 -26.853 1.00 12.31 H new ATOM 0 HB3 LYS A 26 14.688 -23.921 -26.726 1.00 12.31 H new ATOM 0 HG2 LYS A 26 12.197 -23.703 -26.409 1.00 34.05 H new ATOM 0 HG3 LYS A 26 12.350 -21.979 -26.684 1.00 34.05 H new ATOM 0 HD2 LYS A 26 12.215 -22.354 -28.899 1.00 20.32 H new ATOM 0 HD3 LYS A 26 13.749 -23.198 -28.824 1.00 20.32 H new ATOM 0 HE2 LYS A 26 12.343 -24.825 -29.742 1.00 72.25 H new ATOM 0 HE3 LYS A 26 12.343 -25.258 -28.044 1.00 72.25 H new ATOM 0 HZ1 LYS A 26 10.111 -25.261 -28.949 1.00 10.21 H new ATOM 0 HZ2 LYS A 26 10.254 -24.052 -27.764 1.00 10.21 H new ATOM 0 HZ3 LYS A 26 10.254 -23.633 -29.410 1.00 10.21 H new ATOM 388 N LYS A 27 12.250 -22.032 -23.955 1.00 34.34 N ATOM 389 CA LYS A 27 11.336 -21.014 -23.451 1.00 61.41 C ATOM 390 C LYS A 27 12.002 -20.171 -22.369 1.00 75.03 C ATOM 391 O LYS A 27 12.759 -20.688 -21.546 1.00 32.34 O ATOM 392 CB LYS A 27 10.069 -21.668 -22.895 1.00 54.45 C ATOM 393 CG LYS A 27 9.166 -22.255 -23.966 1.00 13.11 C ATOM 394 CD LYS A 27 7.982 -21.348 -24.254 1.00 24.53 C ATOM 395 CE LYS A 27 7.054 -21.957 -25.295 1.00 4.45 C ATOM 396 NZ LYS A 27 5.674 -21.406 -25.198 1.00 5.23 N1+ ATOM 0 H LYS A 27 11.871 -22.979 -23.950 1.00 34.34 H new ATOM 0 HA LYS A 27 11.067 -20.361 -24.281 1.00 61.41 H new ATOM 0 HB2 LYS A 27 10.353 -22.457 -22.199 1.00 54.45 H new ATOM 0 HB3 LYS A 27 9.508 -20.927 -22.325 1.00 54.45 H new ATOM 0 HG2 LYS A 27 9.738 -22.410 -24.881 1.00 13.11 H new ATOM 0 HG3 LYS A 27 8.807 -23.233 -23.645 1.00 13.11 H new ATOM 0 HD2 LYS A 27 7.428 -21.167 -23.333 1.00 24.53 H new ATOM 0 HD3 LYS A 27 8.340 -20.381 -24.606 1.00 24.53 H new ATOM 0 HE2 LYS A 27 7.452 -21.767 -26.292 1.00 4.45 H new ATOM 0 HE3 LYS A 27 7.023 -23.039 -25.165 1.00 4.45 H new ATOM 0 HZ1 LYS A 27 5.073 -21.846 -25.924 1.00 5.23 H new ATOM 0 HZ2 LYS A 27 5.284 -21.610 -24.255 1.00 5.23 H new ATOM 0 HZ3 LYS A 27 5.700 -20.377 -25.347 1.00 5.23 H new ATOM 410 N GLN A 28 11.716 -18.874 -22.375 1.00 10.41 N ATOM 411 CA GLN A 28 12.289 -17.961 -21.393 1.00 44.13 C ATOM 412 C GLN A 28 11.242 -17.540 -20.366 1.00 60.22 C ATOM 413 O GLN A 28 10.100 -18.001 -20.404 1.00 55.40 O ATOM 414 CB GLN A 28 12.864 -16.726 -22.087 1.00 11.32 C ATOM 415 CG GLN A 28 13.693 -17.051 -23.319 1.00 72.03 C ATOM 416 CD GLN A 28 12.860 -17.108 -24.585 1.00 15.45 C ATOM 417 OE1 GLN A 28 11.701 -16.698 -24.597 1.00 24.34 O ATOM 418 NE2 GLN A 28 13.452 -17.618 -25.659 1.00 4.12 N ATOM 0 H GLN A 28 11.091 -18.431 -23.049 1.00 10.41 H new ATOM 0 HA GLN A 28 13.092 -18.484 -20.874 1.00 44.13 H new ATOM 0 HB2 GLN A 28 12.045 -16.067 -22.374 1.00 11.32 H new ATOM 0 HB3 GLN A 28 13.483 -16.176 -21.378 1.00 11.32 H new ATOM 0 HG2 GLN A 28 14.473 -16.299 -23.436 1.00 72.03 H new ATOM 0 HG3 GLN A 28 14.192 -18.009 -23.174 1.00 72.03 H new ATOM 0 HE21 GLN A 28 14.416 -17.946 -25.602 1.00 4.12 H new ATOM 0 HE22 GLN A 28 12.943 -17.682 -26.540 1.00 4.12 H new ATOM 427 N TYR A 29 11.638 -16.664 -19.450 1.00 51.34 N ATOM 428 CA TYR A 29 10.735 -16.183 -18.411 1.00 61.20 C ATOM 429 C TYR A 29 10.065 -14.879 -18.832 1.00 31.22 C ATOM 430 O TYR A 29 10.626 -14.099 -19.602 1.00 54.43 O ATOM 431 CB TYR A 29 11.496 -15.978 -17.099 1.00 64.45 C ATOM 432 CG TYR A 29 11.416 -17.162 -16.162 1.00 43.12 C ATOM 433 CD1 TYR A 29 10.298 -17.366 -15.362 1.00 24.44 C ATOM 434 CD2 TYR A 29 12.457 -18.076 -16.075 1.00 74.43 C ATOM 435 CE1 TYR A 29 10.219 -18.445 -14.504 1.00 73.24 C ATOM 436 CE2 TYR A 29 12.388 -19.160 -15.221 1.00 41.24 C ATOM 437 CZ TYR A 29 11.268 -19.340 -14.437 1.00 5.52 C ATOM 438 OH TYR A 29 11.195 -20.416 -13.583 1.00 64.14 O ATOM 0 H TYR A 29 12.579 -16.272 -19.406 1.00 51.34 H new ATOM 0 HA TYR A 29 9.961 -16.936 -18.261 1.00 61.20 H new ATOM 0 HB2 TYR A 29 12.543 -15.773 -17.324 1.00 64.45 H new ATOM 0 HB3 TYR A 29 11.101 -15.097 -16.593 1.00 64.45 H new ATOM 0 HD1 TYR A 29 9.476 -16.668 -15.412 1.00 24.44 H new ATOM 0 HD2 TYR A 29 13.337 -17.937 -16.686 1.00 74.43 H new ATOM 0 HE1 TYR A 29 9.342 -18.588 -13.889 1.00 73.24 H new ATOM 0 HE2 TYR A 29 13.207 -19.862 -15.168 1.00 41.24 H new ATOM 0 HH TYR A 29 12.065 -20.866 -13.549 1.00 64.14 H new ATOM 448 N LYS A 30 8.860 -14.649 -18.321 1.00 14.24 N ATOM 449 CA LYS A 30 8.112 -13.439 -18.641 1.00 64.24 C ATOM 450 C LYS A 30 7.359 -12.926 -17.417 1.00 65.32 C ATOM 451 O LYS A 30 7.171 -13.654 -16.440 1.00 31.55 O ATOM 452 CB LYS A 30 7.128 -13.709 -19.782 1.00 74.10 C ATOM 453 CG LYS A 30 7.520 -13.048 -21.092 1.00 75.14 C ATOM 454 CD LYS A 30 6.305 -12.527 -21.840 1.00 43.33 C ATOM 455 CE LYS A 30 5.673 -13.610 -22.700 1.00 74.50 C ATOM 456 NZ LYS A 30 4.281 -13.262 -23.099 1.00 51.44 N1+ ATOM 0 H LYS A 30 8.381 -15.285 -17.683 1.00 14.24 H new ATOM 0 HA LYS A 30 8.823 -12.675 -18.956 1.00 64.24 H new ATOM 0 HB2 LYS A 30 7.050 -14.785 -19.937 1.00 74.10 H new ATOM 0 HB3 LYS A 30 6.139 -13.357 -19.489 1.00 74.10 H new ATOM 0 HG2 LYS A 30 8.207 -12.225 -20.894 1.00 75.14 H new ATOM 0 HG3 LYS A 30 8.053 -13.765 -21.717 1.00 75.14 H new ATOM 0 HD2 LYS A 30 5.571 -12.152 -21.127 1.00 43.33 H new ATOM 0 HD3 LYS A 30 6.597 -11.686 -22.469 1.00 43.33 H new ATOM 0 HE2 LYS A 30 6.279 -13.764 -23.593 1.00 74.50 H new ATOM 0 HE3 LYS A 30 5.669 -14.552 -22.152 1.00 74.50 H new ATOM 0 HZ1 LYS A 30 3.886 -14.026 -23.684 1.00 51.44 H new ATOM 0 HZ2 LYS A 30 3.696 -13.140 -22.248 1.00 51.44 H new ATOM 0 HZ3 LYS A 30 4.287 -12.376 -23.644 1.00 51.44 H new ATOM 470 N LEU A 31 6.928 -11.671 -17.477 1.00 64.35 N ATOM 471 CA LEU A 31 6.193 -11.062 -16.373 1.00 13.14 C ATOM 472 C LEU A 31 5.014 -11.935 -15.955 1.00 34.13 C ATOM 473 O LEU A 31 4.626 -11.955 -14.788 1.00 53.32 O ATOM 474 CB LEU A 31 5.695 -9.672 -16.773 1.00 4.23 C ATOM 475 CG LEU A 31 6.757 -8.573 -16.847 1.00 74.21 C ATOM 476 CD1 LEU A 31 6.267 -7.413 -17.699 1.00 21.23 C ATOM 477 CD2 LEU A 31 7.125 -8.093 -15.450 1.00 74.01 C ATOM 0 H LEU A 31 7.074 -11.056 -18.277 1.00 64.35 H new ATOM 0 HA LEU A 31 6.871 -10.970 -15.525 1.00 13.14 H new ATOM 0 HB2 LEU A 31 5.211 -9.748 -17.747 1.00 4.23 H new ATOM 0 HB3 LEU A 31 4.930 -9.363 -16.060 1.00 4.23 H new ATOM 0 HG LEU A 31 7.650 -8.988 -17.315 1.00 74.21 H new ATOM 0 HD11 LEU A 31 7.036 -6.641 -17.740 1.00 21.23 H new ATOM 0 HD12 LEU A 31 6.054 -7.767 -18.708 1.00 21.23 H new ATOM 0 HD13 LEU A 31 5.359 -6.998 -17.261 1.00 21.23 H new ATOM 0 HD21 LEU A 31 7.881 -7.311 -15.521 1.00 74.01 H new ATOM 0 HD22 LEU A 31 6.238 -7.696 -14.956 1.00 74.01 H new ATOM 0 HD23 LEU A 31 7.519 -8.928 -14.871 1.00 74.01 H new ATOM 489 N LYS A 32 4.451 -12.659 -16.916 1.00 72.31 N ATOM 490 CA LYS A 32 3.320 -13.539 -16.649 1.00 42.22 C ATOM 491 C LYS A 32 3.622 -14.474 -15.482 1.00 23.51 C ATOM 492 O LYS A 32 2.736 -14.802 -14.692 1.00 72.42 O ATOM 493 CB LYS A 32 2.977 -14.356 -17.896 1.00 24.21 C ATOM 494 CG LYS A 32 1.508 -14.295 -18.279 1.00 44.32 C ATOM 495 CD LYS A 32 1.278 -14.803 -19.691 1.00 23.23 C ATOM 496 CE LYS A 32 -0.027 -14.275 -20.269 1.00 43.25 C ATOM 497 NZ LYS A 32 0.095 -13.958 -21.718 1.00 23.30 N1+ ATOM 0 H LYS A 32 4.760 -12.654 -17.888 1.00 72.31 H new ATOM 0 HA LYS A 32 2.464 -12.919 -16.383 1.00 42.22 H new ATOM 0 HB2 LYS A 32 3.577 -13.996 -18.732 1.00 24.21 H new ATOM 0 HB3 LYS A 32 3.257 -15.396 -17.727 1.00 24.21 H new ATOM 0 HG2 LYS A 32 0.923 -14.890 -17.578 1.00 44.32 H new ATOM 0 HG3 LYS A 32 1.153 -13.268 -18.199 1.00 44.32 H new ATOM 0 HD2 LYS A 32 2.109 -14.499 -20.328 1.00 23.23 H new ATOM 0 HD3 LYS A 32 1.261 -15.893 -19.688 1.00 23.23 H new ATOM 0 HE2 LYS A 32 -0.814 -15.015 -20.125 1.00 43.25 H new ATOM 0 HE3 LYS A 32 -0.328 -13.379 -19.726 1.00 43.25 H new ATOM 0 HZ1 LYS A 32 -0.815 -13.601 -22.073 1.00 23.30 H new ATOM 0 HZ2 LYS A 32 0.828 -13.233 -21.854 1.00 23.30 H new ATOM 0 HZ3 LYS A 32 0.358 -14.818 -22.241 1.00 23.30 H new ATOM 511 N HIS A 33 4.877 -14.898 -15.379 1.00 71.21 N ATOM 512 CA HIS A 33 5.296 -15.794 -14.307 1.00 10.21 C ATOM 513 C HIS A 33 5.518 -15.022 -13.009 1.00 21.13 C ATOM 514 O HIS A 33 5.136 -15.550 -11.965 1.00 15.01 O ATOM 515 CB HIS A 33 6.578 -16.530 -14.700 1.00 71.13 C ATOM 516 CG HIS A 33 6.538 -17.103 -16.083 1.00 32.41 C ATOM 517 ND1 HIS A 33 7.560 -16.941 -16.995 1.00 24.44 N ATOM 518 CD2 HIS A 33 5.593 -17.842 -16.709 1.00 71.54 C ATOM 519 CE1 HIS A 33 7.243 -17.554 -18.122 1.00 61.42 C ATOM 520 NE2 HIS A 33 6.054 -18.109 -17.974 1.00 71.42 N ATOM 0 H HIS A 33 5.622 -14.636 -16.025 1.00 71.21 H new ATOM 0 HA HIS A 33 4.502 -16.523 -14.146 1.00 10.21 H new ATOM 0 HB2 HIS A 33 7.420 -15.842 -14.625 1.00 71.13 H new ATOM 0 HB3 HIS A 33 6.759 -17.334 -13.987 1.00 71.13 H new ATOM 0 HD2 HIS A 33 4.650 -18.162 -16.291 1.00 71.54 H new ATOM 0 HE1 HIS A 33 7.853 -17.594 -19.013 1.00 61.42 H new ATOM 0 HE2 HIS A 33 5.559 -18.648 -18.684 1.00 71.42 H new ATOM 528 N ILE A 34 6.103 -13.829 -13.047 1.00 2.21 N ATOM 529 CA ILE A 34 6.334 -13.054 -11.833 1.00 20.31 C ATOM 530 C ILE A 34 5.019 -12.712 -11.141 1.00 1.21 C ATOM 531 O ILE A 34 4.934 -12.708 -9.913 1.00 15.30 O ATOM 532 CB ILE A 34 7.098 -11.751 -12.135 1.00 65.35 C ATOM 533 CG1 ILE A 34 8.418 -12.061 -12.842 1.00 13.34 C ATOM 534 CG2 ILE A 34 7.347 -10.975 -10.850 1.00 10.32 C ATOM 535 CD1 ILE A 34 9.074 -10.843 -13.456 1.00 23.14 C ATOM 0 H ILE A 34 6.425 -13.379 -13.904 1.00 2.21 H new ATOM 0 HA ILE A 34 6.938 -13.675 -11.171 1.00 20.31 H new ATOM 0 HB ILE A 34 6.490 -11.134 -12.797 1.00 65.35 H new ATOM 0 HG12 ILE A 34 9.106 -12.513 -12.128 1.00 13.34 H new ATOM 0 HG13 ILE A 34 8.238 -12.800 -13.623 1.00 13.34 H new ATOM 0 HG21 ILE A 34 7.888 -10.057 -11.079 1.00 10.32 H new ATOM 0 HG22 ILE A 34 6.393 -10.728 -10.383 1.00 10.32 H new ATOM 0 HG23 ILE A 34 7.939 -11.584 -10.166 1.00 10.32 H new ATOM 0 HD11 ILE A 34 10.005 -11.137 -13.940 1.00 23.14 H new ATOM 0 HD12 ILE A 34 8.404 -10.402 -14.194 1.00 23.14 H new ATOM 0 HD13 ILE A 34 9.286 -10.112 -12.676 1.00 23.14 H new ATOM 547 N VAL A 35 3.994 -12.426 -11.937 1.00 21.20 N ATOM 548 CA VAL A 35 2.682 -12.085 -11.402 1.00 62.52 C ATOM 549 C VAL A 35 1.995 -13.311 -10.810 1.00 4.22 C ATOM 550 O VAL A 35 1.391 -13.239 -9.739 1.00 53.51 O ATOM 551 CB VAL A 35 1.774 -11.475 -12.487 1.00 4.41 C ATOM 552 CG1 VAL A 35 0.400 -11.155 -11.916 1.00 74.14 C ATOM 553 CG2 VAL A 35 2.417 -10.231 -13.081 1.00 50.23 C ATOM 0 H VAL A 35 4.047 -12.424 -12.956 1.00 21.20 H new ATOM 0 HA VAL A 35 2.843 -11.347 -10.616 1.00 62.52 H new ATOM 0 HB VAL A 35 1.647 -12.207 -13.285 1.00 4.41 H new ATOM 0 HG11 VAL A 35 -0.227 -10.725 -12.697 1.00 74.14 H new ATOM 0 HG12 VAL A 35 -0.061 -12.070 -11.543 1.00 74.14 H new ATOM 0 HG13 VAL A 35 0.503 -10.441 -11.099 1.00 74.14 H new ATOM 0 HG21 VAL A 35 1.762 -9.813 -13.846 1.00 50.23 H new ATOM 0 HG22 VAL A 35 2.575 -9.492 -12.295 1.00 50.23 H new ATOM 0 HG23 VAL A 35 3.375 -10.495 -13.529 1.00 50.23 H new ATOM 563 N TRP A 36 2.091 -14.433 -11.513 1.00 51.41 N ATOM 564 CA TRP A 36 1.478 -15.675 -11.055 1.00 31.45 C ATOM 565 C TRP A 36 1.914 -16.006 -9.633 1.00 42.10 C ATOM 566 O TRP A 36 1.082 -16.257 -8.761 1.00 33.31 O ATOM 567 CB TRP A 36 1.847 -16.825 -11.995 1.00 3.32 C ATOM 568 CG TRP A 36 1.263 -18.141 -11.580 1.00 24.22 C ATOM 569 CD1 TRP A 36 -0.033 -18.547 -11.730 1.00 71.11 C ATOM 570 CD2 TRP A 36 1.953 -19.223 -10.945 1.00 33.42 C ATOM 571 NE1 TRP A 36 -0.189 -19.816 -11.227 1.00 1.30 N ATOM 572 CE2 TRP A 36 1.014 -20.254 -10.741 1.00 10.34 C ATOM 573 CE3 TRP A 36 3.273 -19.422 -10.533 1.00 61.45 C ATOM 574 CZ2 TRP A 36 1.356 -21.462 -10.140 1.00 23.41 C ATOM 575 CZ3 TRP A 36 3.610 -20.623 -9.936 1.00 73.34 C ATOM 576 CH2 TRP A 36 2.655 -21.631 -9.746 1.00 42.44 C ATOM 0 H TRP A 36 2.587 -14.509 -12.401 1.00 51.41 H new ATOM 0 HA TRP A 36 0.396 -15.541 -11.061 1.00 31.45 H new ATOM 0 HB2 TRP A 36 1.506 -16.585 -13.002 1.00 3.32 H new ATOM 0 HB3 TRP A 36 2.932 -16.915 -12.039 1.00 3.32 H new ATOM 0 HD1 TRP A 36 -0.819 -17.957 -12.178 1.00 71.11 H new ATOM 0 HE1 TRP A 36 -1.060 -20.346 -11.217 1.00 1.30 H new ATOM 0 HE3 TRP A 36 4.016 -18.652 -10.678 1.00 61.45 H new ATOM 0 HZ2 TRP A 36 0.621 -22.239 -9.990 1.00 23.41 H new ATOM 0 HZ3 TRP A 36 4.627 -20.787 -9.611 1.00 73.34 H new ATOM 0 HH2 TRP A 36 2.950 -22.559 -9.279 1.00 42.44 H new ATOM 587 N ALA A 37 3.223 -16.003 -9.404 1.00 73.44 N ATOM 588 CA ALA A 37 3.768 -16.302 -8.085 1.00 1.45 C ATOM 589 C ALA A 37 3.114 -15.437 -7.013 1.00 3.41 C ATOM 590 O ALA A 37 2.757 -15.926 -5.941 1.00 41.43 O ATOM 591 CB ALA A 37 5.277 -16.100 -8.079 1.00 21.23 C ATOM 0 H ALA A 37 3.926 -15.797 -10.114 1.00 73.44 H new ATOM 0 HA ALA A 37 3.551 -17.346 -7.857 1.00 1.45 H new ATOM 0 HB1 ALA A 37 5.671 -16.327 -7.088 1.00 21.23 H new ATOM 0 HB2 ALA A 37 5.736 -16.763 -8.812 1.00 21.23 H new ATOM 0 HB3 ALA A 37 5.507 -15.065 -8.332 1.00 21.23 H new ATOM 597 N SER A 38 2.960 -14.150 -7.308 1.00 15.22 N ATOM 598 CA SER A 38 2.352 -13.217 -6.366 1.00 11.14 C ATOM 599 C SER A 38 0.977 -13.707 -5.927 1.00 62.21 C ATOM 600 O SER A 38 0.633 -13.650 -4.746 1.00 5.32 O ATOM 601 CB SER A 38 2.234 -11.829 -6.997 1.00 12.34 C ATOM 602 OG SER A 38 3.291 -10.984 -6.576 1.00 54.33 O ATOM 0 H SER A 38 3.248 -13.730 -8.192 1.00 15.22 H new ATOM 0 HA SER A 38 2.994 -13.156 -5.487 1.00 11.14 H new ATOM 0 HB2 SER A 38 2.247 -11.918 -8.083 1.00 12.34 H new ATOM 0 HB3 SER A 38 1.278 -11.383 -6.725 1.00 12.34 H new ATOM 0 HG SER A 38 3.193 -10.104 -6.995 1.00 54.33 H new ATOM 608 N ARG A 39 0.193 -14.190 -6.886 1.00 50.22 N ATOM 609 CA ARG A 39 -1.146 -14.690 -6.599 1.00 61.32 C ATOM 610 C ARG A 39 -1.088 -15.899 -5.671 1.00 55.05 C ATOM 611 O ARG A 39 -1.785 -15.949 -4.658 1.00 52.44 O ATOM 612 CB ARG A 39 -1.862 -15.065 -7.898 1.00 71.40 C ATOM 613 CG ARG A 39 -2.614 -13.908 -8.535 1.00 75.12 C ATOM 614 CD ARG A 39 -3.777 -14.399 -9.383 1.00 74.01 C ATOM 615 NE ARG A 39 -5.022 -13.710 -9.057 1.00 71.03 N ATOM 616 CZ ARG A 39 -5.716 -13.934 -7.946 1.00 4.15 C ATOM 617 NH1 ARG A 39 -5.290 -14.823 -7.061 1.00 53.11 N1+ ATOM 618 NH2 ARG A 39 -6.840 -13.266 -7.720 1.00 24.01 N ATOM 0 H ARG A 39 0.462 -14.245 -7.868 1.00 50.22 H new ATOM 0 HA ARG A 39 -1.703 -13.897 -6.100 1.00 61.32 H new ATOM 0 HB2 ARG A 39 -1.130 -15.447 -8.609 1.00 71.40 H new ATOM 0 HB3 ARG A 39 -2.563 -15.875 -7.696 1.00 71.40 H new ATOM 0 HG2 ARG A 39 -2.986 -13.242 -7.757 1.00 75.12 H new ATOM 0 HG3 ARG A 39 -1.931 -13.326 -9.154 1.00 75.12 H new ATOM 0 HD2 ARG A 39 -3.545 -14.249 -10.437 1.00 74.01 H new ATOM 0 HD3 ARG A 39 -3.907 -15.471 -9.234 1.00 74.01 H new ATOM 0 HE ARG A 39 -5.378 -13.019 -9.718 1.00 71.03 H new ATOM 0 HH11 ARG A 39 -4.426 -15.338 -7.231 1.00 53.11 H new ATOM 0 HH12 ARG A 39 -5.826 -14.992 -6.210 1.00 53.11 H new ATOM 0 HH21 ARG A 39 -7.171 -12.581 -8.399 1.00 24.01 H new ATOM 0 HH22 ARG A 39 -7.373 -13.438 -6.867 1.00 24.01 H new ATOM 632 N GLU A 40 -0.253 -16.871 -6.023 1.00 34.52 N ATOM 633 CA GLU A 40 -0.106 -18.080 -5.222 1.00 75.23 C ATOM 634 C GLU A 40 0.454 -17.752 -3.841 1.00 52.02 C ATOM 635 O GLU A 40 0.167 -18.442 -2.862 1.00 61.33 O ATOM 636 CB GLU A 40 0.810 -19.081 -5.931 1.00 10.31 C ATOM 637 CG GLU A 40 0.418 -20.531 -5.704 1.00 13.34 C ATOM 638 CD GLU A 40 -1.017 -20.816 -6.099 1.00 43.21 C ATOM 639 OE1 GLU A 40 -1.422 -20.403 -7.205 1.00 4.55 O1- ATOM 640 OE2 GLU A 40 -1.736 -21.454 -5.301 1.00 31.54 O ATOM 0 H GLU A 40 0.332 -16.845 -6.858 1.00 34.52 H new ATOM 0 HA GLU A 40 -1.093 -18.526 -5.099 1.00 75.23 H new ATOM 0 HB2 GLU A 40 0.801 -18.874 -7.001 1.00 10.31 H new ATOM 0 HB3 GLU A 40 1.833 -18.932 -5.586 1.00 10.31 H new ATOM 0 HG2 GLU A 40 1.084 -21.177 -6.276 1.00 13.34 H new ATOM 0 HG3 GLU A 40 0.558 -20.781 -4.652 1.00 13.34 H new ATOM 647 N LEU A 41 1.256 -16.694 -3.769 1.00 65.44 N ATOM 648 CA LEU A 41 1.857 -16.274 -2.508 1.00 23.02 C ATOM 649 C LEU A 41 0.784 -15.883 -1.498 1.00 42.44 C ATOM 650 O LEU A 41 0.724 -16.434 -0.398 1.00 5.03 O ATOM 651 CB LEU A 41 2.806 -15.097 -2.742 1.00 54.41 C ATOM 652 CG LEU A 41 4.276 -15.455 -2.968 1.00 62.35 C ATOM 653 CD1 LEU A 41 5.094 -14.203 -3.242 1.00 73.31 C ATOM 654 CD2 LEU A 41 4.832 -16.207 -1.767 1.00 31.31 C ATOM 0 H LEU A 41 1.505 -16.112 -4.569 1.00 65.44 H new ATOM 0 HA LEU A 41 2.421 -17.114 -2.104 1.00 23.02 H new ATOM 0 HB2 LEU A 41 2.452 -14.537 -3.608 1.00 54.41 H new ATOM 0 HB3 LEU A 41 2.743 -14.429 -1.883 1.00 54.41 H new ATOM 0 HG LEU A 41 4.343 -16.105 -3.841 1.00 62.35 H new ATOM 0 HD11 LEU A 41 6.137 -14.477 -3.400 1.00 73.31 H new ATOM 0 HD12 LEU A 41 4.710 -13.705 -4.133 1.00 73.31 H new ATOM 0 HD13 LEU A 41 5.022 -13.527 -2.390 1.00 73.31 H new ATOM 0 HD21 LEU A 41 5.879 -16.454 -1.945 1.00 31.31 H new ATOM 0 HD22 LEU A 41 4.753 -15.582 -0.878 1.00 31.31 H new ATOM 0 HD23 LEU A 41 4.263 -17.125 -1.617 1.00 31.31 H new ATOM 666 N GLU A 42 -0.063 -14.932 -1.877 1.00 15.15 N ATOM 667 CA GLU A 42 -1.134 -14.469 -1.003 1.00 61.40 C ATOM 668 C GLU A 42 -1.997 -15.637 -0.535 1.00 73.34 C ATOM 669 O GLU A 42 -2.600 -15.586 0.536 1.00 41.35 O ATOM 670 CB GLU A 42 -2.003 -13.437 -1.727 1.00 65.05 C ATOM 671 CG GLU A 42 -1.828 -12.021 -1.205 1.00 55.15 C ATOM 672 CD GLU A 42 -3.118 -11.434 -0.665 1.00 52.14 C ATOM 673 OE1 GLU A 42 -3.829 -12.145 0.076 1.00 64.13 O1- ATOM 674 OE2 GLU A 42 -3.415 -10.264 -0.982 1.00 21.30 O ATOM 0 H GLU A 42 -0.028 -14.467 -2.784 1.00 15.15 H new ATOM 0 HA GLU A 42 -0.679 -14.002 -0.129 1.00 61.40 H new ATOM 0 HB2 GLU A 42 -1.764 -13.455 -2.790 1.00 65.05 H new ATOM 0 HB3 GLU A 42 -3.050 -13.724 -1.630 1.00 65.05 H new ATOM 0 HG2 GLU A 42 -1.075 -12.019 -0.417 1.00 55.15 H new ATOM 0 HG3 GLU A 42 -1.452 -11.386 -2.007 1.00 55.15 H new ATOM 681 N ARG A 43 -2.049 -16.689 -1.346 1.00 4.32 N ATOM 682 CA ARG A 43 -2.839 -17.869 -1.016 1.00 74.33 C ATOM 683 C ARG A 43 -2.247 -18.601 0.186 1.00 20.14 C ATOM 684 O ARG A 43 -2.966 -19.243 0.951 1.00 30.52 O ATOM 685 CB ARG A 43 -2.909 -18.814 -2.217 1.00 14.01 C ATOM 686 CG ARG A 43 -4.013 -19.852 -2.111 1.00 23.31 C ATOM 687 CD ARG A 43 -4.324 -20.476 -3.463 1.00 3.23 C ATOM 688 NE ARG A 43 -5.755 -20.700 -3.647 1.00 22.12 N ATOM 689 CZ ARG A 43 -6.427 -21.682 -3.057 1.00 40.24 C ATOM 690 NH1 ARG A 43 -5.801 -22.526 -2.248 1.00 33.33 N1+ ATOM 691 NH2 ARG A 43 -7.729 -21.821 -3.274 1.00 50.23 N ATOM 0 H ARG A 43 -1.554 -16.748 -2.236 1.00 4.32 H new ATOM 0 HA ARG A 43 -3.847 -17.541 -0.760 1.00 74.33 H new ATOM 0 HB2 ARG A 43 -3.060 -18.226 -3.123 1.00 14.01 H new ATOM 0 HB3 ARG A 43 -1.952 -19.324 -2.324 1.00 14.01 H new ATOM 0 HG2 ARG A 43 -3.715 -20.631 -1.410 1.00 23.31 H new ATOM 0 HG3 ARG A 43 -4.913 -19.388 -1.708 1.00 23.31 H new ATOM 0 HD2 ARG A 43 -3.954 -19.826 -4.256 1.00 3.23 H new ATOM 0 HD3 ARG A 43 -3.794 -21.424 -3.555 1.00 3.23 H new ATOM 0 HE ARG A 43 -6.267 -20.068 -4.262 1.00 22.12 H new ATOM 0 HH11 ARG A 43 -4.801 -22.422 -2.077 1.00 33.33 H new ATOM 0 HH12 ARG A 43 -6.320 -23.279 -1.796 1.00 33.33 H new ATOM 0 HH21 ARG A 43 -8.215 -21.173 -3.894 1.00 50.23 H new ATOM 0 HH22 ARG A 43 -8.244 -22.576 -2.820 1.00 50.23 H new ATOM 705 N PHE A 44 -0.932 -18.498 0.346 1.00 34.43 N ATOM 706 CA PHE A 44 -0.242 -19.150 1.453 1.00 61.52 C ATOM 707 C PHE A 44 -0.043 -18.183 2.615 1.00 14.13 C ATOM 708 O PHE A 44 0.891 -18.328 3.403 1.00 5.33 O ATOM 709 CB PHE A 44 1.111 -19.695 0.989 1.00 71.13 C ATOM 710 CG PHE A 44 1.003 -20.715 -0.107 1.00 62.33 C ATOM 711 CD1 PHE A 44 0.256 -21.869 0.073 1.00 63.21 C ATOM 712 CD2 PHE A 44 1.648 -20.522 -1.318 1.00 24.45 C ATOM 713 CE1 PHE A 44 0.156 -22.811 -0.934 1.00 3.33 C ATOM 714 CE2 PHE A 44 1.550 -21.459 -2.330 1.00 41.43 C ATOM 715 CZ PHE A 44 0.802 -22.605 -2.137 1.00 53.21 C ATOM 0 H PHE A 44 -0.322 -17.969 -0.277 1.00 34.43 H new ATOM 0 HA PHE A 44 -0.861 -19.979 1.796 1.00 61.52 H new ATOM 0 HB2 PHE A 44 1.728 -18.866 0.643 1.00 71.13 H new ATOM 0 HB3 PHE A 44 1.625 -20.141 1.840 1.00 71.13 H new ATOM 0 HD1 PHE A 44 -0.254 -22.034 1.011 1.00 63.21 H new ATOM 0 HD2 PHE A 44 2.235 -19.629 -1.473 1.00 24.45 H new ATOM 0 HE1 PHE A 44 -0.427 -23.707 -0.780 1.00 3.33 H new ATOM 0 HE2 PHE A 44 2.057 -21.296 -3.270 1.00 41.43 H new ATOM 0 HZ PHE A 44 0.723 -23.338 -2.926 1.00 53.21 H new ATOM 725 N ALA A 45 -0.928 -17.196 2.713 1.00 50.53 N ATOM 726 CA ALA A 45 -0.850 -16.205 3.780 1.00 31.12 C ATOM 727 C ALA A 45 0.430 -15.384 3.674 1.00 10.24 C ATOM 728 O ALA A 45 0.881 -14.789 4.653 1.00 0.34 O ATOM 729 CB ALA A 45 -0.934 -16.884 5.139 1.00 71.12 C ATOM 0 H ALA A 45 -1.706 -17.061 2.068 1.00 50.53 H new ATOM 0 HA ALA A 45 -1.696 -15.526 3.674 1.00 31.12 H new ATOM 0 HB1 ALA A 45 -0.874 -16.132 5.926 1.00 71.12 H new ATOM 0 HB2 ALA A 45 -1.880 -17.420 5.220 1.00 71.12 H new ATOM 0 HB3 ALA A 45 -0.108 -17.587 5.246 1.00 71.12 H new ATOM 735 N VAL A 46 1.013 -15.356 2.481 1.00 33.44 N ATOM 736 CA VAL A 46 2.243 -14.607 2.247 1.00 60.41 C ATOM 737 C VAL A 46 2.022 -13.491 1.232 1.00 20.40 C ATOM 738 O VAL A 46 1.589 -13.737 0.107 1.00 33.11 O ATOM 739 CB VAL A 46 3.373 -15.526 1.745 1.00 65.03 C ATOM 740 CG1 VAL A 46 4.630 -14.719 1.459 1.00 44.41 C ATOM 741 CG2 VAL A 46 3.653 -16.625 2.757 1.00 75.35 C ATOM 0 H VAL A 46 0.654 -15.843 1.660 1.00 33.44 H new ATOM 0 HA VAL A 46 2.536 -14.172 3.203 1.00 60.41 H new ATOM 0 HB VAL A 46 3.052 -15.994 0.814 1.00 65.03 H new ATOM 0 HG11 VAL A 46 5.417 -15.385 1.105 1.00 44.41 H new ATOM 0 HG12 VAL A 46 4.417 -13.972 0.695 1.00 44.41 H new ATOM 0 HG13 VAL A 46 4.958 -14.221 2.371 1.00 44.41 H new ATOM 0 HG21 VAL A 46 4.454 -17.265 2.387 1.00 75.35 H new ATOM 0 HG22 VAL A 46 3.954 -16.179 3.705 1.00 75.35 H new ATOM 0 HG23 VAL A 46 2.752 -17.220 2.906 1.00 75.35 H new ATOM 751 N ASN A 47 2.323 -12.261 1.638 1.00 54.25 N ATOM 752 CA ASN A 47 2.158 -11.106 0.764 1.00 5.12 C ATOM 753 C ASN A 47 3.077 -11.205 -0.450 1.00 40.13 C ATOM 754 O ASN A 47 4.205 -11.691 -0.365 1.00 32.45 O ATOM 755 CB ASN A 47 2.446 -9.814 1.532 1.00 73.45 C ATOM 756 CG ASN A 47 1.366 -9.491 2.547 1.00 31.55 C ATOM 757 OD1 ASN A 47 1.491 -9.816 3.727 1.00 70.01 O ATOM 758 ND2 ASN A 47 0.297 -8.848 2.089 1.00 73.43 N ATOM 0 H ASN A 47 2.682 -12.039 2.567 1.00 54.25 H new ATOM 0 HA ASN A 47 1.126 -11.091 0.415 1.00 5.12 H new ATOM 0 HB2 ASN A 47 3.405 -9.904 2.042 1.00 73.45 H new ATOM 0 HB3 ASN A 47 2.537 -8.988 0.827 1.00 73.45 H new ATOM 0 HD21 ASN A 47 -0.463 -8.604 2.725 1.00 73.43 H new ATOM 0 HD22 ASN A 47 0.236 -8.598 1.102 1.00 73.43 H new ATOM 765 N PRO A 48 2.585 -10.735 -1.604 1.00 21.34 N ATOM 766 CA PRO A 48 3.346 -10.758 -2.857 1.00 22.44 C ATOM 767 C PRO A 48 4.515 -9.780 -2.844 1.00 13.12 C ATOM 768 O PRO A 48 5.349 -9.780 -3.749 1.00 65.55 O ATOM 769 CB PRO A 48 2.312 -10.342 -3.908 1.00 54.12 C ATOM 770 CG PRO A 48 1.307 -9.541 -3.154 1.00 51.10 C ATOM 771 CD PRO A 48 1.247 -10.142 -1.777 1.00 21.02 C ATOM 0 HA PRO A 48 3.795 -11.734 -3.043 1.00 22.44 H new ATOM 0 HB2 PRO A 48 2.770 -9.755 -4.704 1.00 54.12 H new ATOM 0 HB3 PRO A 48 1.853 -11.212 -4.378 1.00 54.12 H new ATOM 0 HG2 PRO A 48 1.598 -8.492 -3.109 1.00 51.10 H new ATOM 0 HG3 PRO A 48 0.332 -9.581 -3.640 1.00 51.10 H new ATOM 0 HD2 PRO A 48 1.041 -9.387 -1.018 1.00 21.02 H new ATOM 0 HD3 PRO A 48 0.461 -10.894 -1.701 1.00 21.02 H new ATOM 779 N GLY A 49 4.571 -8.946 -1.810 1.00 3.34 N ATOM 780 CA GLY A 49 5.643 -7.973 -1.698 1.00 50.13 C ATOM 781 C GLY A 49 6.912 -8.573 -1.126 1.00 53.01 C ATOM 782 O GLY A 49 7.852 -7.852 -0.788 1.00 3.31 O ATOM 0 H GLY A 49 3.893 -8.927 -1.048 1.00 3.34 H new ATOM 0 HA2 GLY A 49 5.854 -7.554 -2.682 1.00 50.13 H new ATOM 0 HA3 GLY A 49 5.317 -7.148 -1.064 1.00 50.13 H new ATOM 786 N LEU A 50 6.941 -9.897 -1.014 1.00 62.11 N ATOM 787 CA LEU A 50 8.104 -10.594 -0.477 1.00 53.42 C ATOM 788 C LEU A 50 8.958 -11.175 -1.600 1.00 61.44 C ATOM 789 O LEU A 50 9.689 -12.146 -1.399 1.00 63.41 O ATOM 790 CB LEU A 50 7.661 -11.709 0.472 1.00 54.01 C ATOM 791 CG LEU A 50 6.837 -11.272 1.684 1.00 23.40 C ATOM 792 CD1 LEU A 50 6.575 -12.453 2.605 1.00 63.13 C ATOM 793 CD2 LEU A 50 7.545 -10.153 2.435 1.00 61.44 C ATOM 0 H LEU A 50 6.172 -10.509 -1.288 1.00 62.11 H new ATOM 0 HA LEU A 50 8.706 -9.873 0.075 1.00 53.42 H new ATOM 0 HB2 LEU A 50 7.077 -12.432 -0.097 1.00 54.01 H new ATOM 0 HB3 LEU A 50 8.550 -12.228 0.830 1.00 54.01 H new ATOM 0 HG LEU A 50 5.878 -10.894 1.330 1.00 23.40 H new ATOM 0 HD11 LEU A 50 5.987 -12.123 3.462 1.00 63.13 H new ATOM 0 HD12 LEU A 50 6.025 -13.222 2.063 1.00 63.13 H new ATOM 0 HD13 LEU A 50 7.524 -12.862 2.952 1.00 63.13 H new ATOM 0 HD21 LEU A 50 6.944 -9.855 3.294 1.00 61.44 H new ATOM 0 HD22 LEU A 50 8.519 -10.504 2.777 1.00 61.44 H new ATOM 0 HD23 LEU A 50 7.680 -9.298 1.772 1.00 61.44 H new ATOM 805 N LEU A 51 8.861 -10.574 -2.780 1.00 11.23 N ATOM 806 CA LEU A 51 9.627 -11.030 -3.936 1.00 2.10 C ATOM 807 C LEU A 51 10.607 -9.958 -4.397 1.00 14.33 C ATOM 808 O LEU A 51 11.634 -10.262 -5.003 1.00 54.53 O ATOM 809 CB LEU A 51 8.683 -11.402 -5.082 1.00 14.23 C ATOM 810 CG LEU A 51 7.548 -12.363 -4.732 1.00 61.23 C ATOM 811 CD1 LEU A 51 6.420 -12.250 -5.747 1.00 54.44 C ATOM 812 CD2 LEU A 51 8.062 -13.794 -4.660 1.00 33.45 C ATOM 0 H LEU A 51 8.260 -9.770 -2.963 1.00 11.23 H new ATOM 0 HA LEU A 51 10.196 -11.912 -3.640 1.00 2.10 H new ATOM 0 HB2 LEU A 51 8.247 -10.485 -5.478 1.00 14.23 H new ATOM 0 HB3 LEU A 51 9.274 -11.846 -5.883 1.00 14.23 H new ATOM 0 HG LEU A 51 7.156 -12.090 -3.752 1.00 61.23 H new ATOM 0 HD11 LEU A 51 5.621 -12.942 -5.481 1.00 54.44 H new ATOM 0 HD12 LEU A 51 6.033 -11.231 -5.748 1.00 54.44 H new ATOM 0 HD13 LEU A 51 6.798 -12.496 -6.739 1.00 54.44 H new ATOM 0 HD21 LEU A 51 7.239 -14.464 -4.410 1.00 33.45 H new ATOM 0 HD22 LEU A 51 8.481 -14.079 -5.625 1.00 33.45 H new ATOM 0 HD23 LEU A 51 8.834 -13.865 -3.894 1.00 33.45 H new ATOM 824 N GLU A 52 10.285 -8.702 -4.104 1.00 3.55 N ATOM 825 CA GLU A 52 11.140 -7.584 -4.488 1.00 52.34 C ATOM 826 C GLU A 52 12.355 -7.488 -3.568 1.00 25.22 C ATOM 827 O GLU A 52 13.252 -6.674 -3.788 1.00 4.24 O ATOM 828 CB GLU A 52 10.352 -6.274 -4.450 1.00 41.53 C ATOM 829 CG GLU A 52 9.962 -5.840 -3.047 1.00 5.55 C ATOM 830 CD GLU A 52 8.787 -4.880 -3.039 1.00 21.11 C ATOM 831 OE1 GLU A 52 8.993 -3.687 -3.347 1.00 52.43 O ATOM 832 OE2 GLU A 52 7.662 -5.321 -2.725 1.00 64.13 O1- ATOM 0 H GLU A 52 9.439 -8.433 -3.602 1.00 3.55 H new ATOM 0 HA GLU A 52 11.489 -7.759 -5.506 1.00 52.34 H new ATOM 0 HB2 GLU A 52 10.948 -5.487 -4.912 1.00 41.53 H new ATOM 0 HB3 GLU A 52 9.450 -6.385 -5.051 1.00 41.53 H new ATOM 0 HG2 GLU A 52 9.711 -6.720 -2.455 1.00 5.55 H new ATOM 0 HG3 GLU A 52 10.818 -5.365 -2.566 1.00 5.55 H new ATOM 839 N THR A 53 12.375 -8.324 -2.535 1.00 14.32 N ATOM 840 CA THR A 53 13.477 -8.333 -1.580 1.00 25.32 C ATOM 841 C THR A 53 14.107 -9.717 -1.481 1.00 10.34 C ATOM 842 O THR A 53 13.409 -10.717 -1.309 1.00 14.44 O ATOM 843 CB THR A 53 13.010 -7.891 -0.180 1.00 32.12 C ATOM 844 OG1 THR A 53 12.231 -8.929 0.426 1.00 31.20 O ATOM 845 CG2 THR A 53 12.188 -6.615 -0.261 1.00 10.43 C ATOM 0 H THR A 53 11.641 -9.004 -2.338 1.00 14.32 H new ATOM 0 HA THR A 53 14.220 -7.625 -1.947 1.00 25.32 H new ATOM 0 HB THR A 53 13.893 -7.697 0.429 1.00 32.12 H new ATOM 0 HG1 THR A 53 12.274 -8.843 1.401 1.00 31.20 H new ATOM 0 HG21 THR A 53 11.870 -6.323 0.740 1.00 10.43 H new ATOM 0 HG22 THR A 53 12.793 -5.819 -0.696 1.00 10.43 H new ATOM 0 HG23 THR A 53 11.311 -6.786 -0.885 1.00 10.43 H new ATOM 853 N SER A 54 15.431 -9.768 -1.590 1.00 41.00 N ATOM 854 CA SER A 54 16.156 -11.031 -1.515 1.00 33.25 C ATOM 855 C SER A 54 15.825 -11.772 -0.223 1.00 5.44 C ATOM 856 O SER A 54 15.912 -12.997 -0.158 1.00 61.21 O ATOM 857 CB SER A 54 17.663 -10.785 -1.604 1.00 52.30 C ATOM 858 OG SER A 54 18.353 -11.968 -1.966 1.00 33.32 O ATOM 0 H SER A 54 16.023 -8.949 -1.731 1.00 41.00 H new ATOM 0 HA SER A 54 15.846 -11.650 -2.357 1.00 33.25 H new ATOM 0 HB2 SER A 54 17.864 -10.004 -2.337 1.00 52.30 H new ATOM 0 HB3 SER A 54 18.033 -10.424 -0.644 1.00 52.30 H new ATOM 0 HG SER A 54 17.842 -12.749 -1.667 1.00 33.32 H new ATOM 864 N GLU A 55 15.446 -11.017 0.804 1.00 24.51 N ATOM 865 CA GLU A 55 15.102 -11.602 2.095 1.00 14.23 C ATOM 866 C GLU A 55 13.727 -12.259 2.046 1.00 63.04 C ATOM 867 O GLU A 55 13.551 -13.391 2.493 1.00 74.32 O ATOM 868 CB GLU A 55 15.130 -10.531 3.188 1.00 53.00 C ATOM 869 CG GLU A 55 16.426 -9.738 3.230 1.00 44.51 C ATOM 870 CD GLU A 55 16.458 -8.735 4.368 1.00 32.54 C ATOM 871 OE1 GLU A 55 16.195 -9.135 5.519 1.00 50.25 O1- ATOM 872 OE2 GLU A 55 16.749 -7.549 4.103 1.00 70.34 O ATOM 0 H GLU A 55 15.370 -10.001 0.767 1.00 24.51 H new ATOM 0 HA GLU A 55 15.842 -12.368 2.327 1.00 14.23 H new ATOM 0 HB2 GLU A 55 14.298 -9.844 3.033 1.00 53.00 H new ATOM 0 HB3 GLU A 55 14.974 -11.007 4.156 1.00 53.00 H new ATOM 0 HG2 GLU A 55 17.266 -10.426 3.333 1.00 44.51 H new ATOM 0 HG3 GLU A 55 16.558 -9.213 2.284 1.00 44.51 H new ATOM 879 N GLY A 56 12.751 -11.538 1.500 1.00 72.51 N ATOM 880 CA GLY A 56 11.403 -12.066 1.403 1.00 33.14 C ATOM 881 C GLY A 56 11.358 -13.417 0.716 1.00 61.11 C ATOM 882 O GLY A 56 10.672 -14.331 1.176 1.00 65.21 O ATOM 0 H GLY A 56 12.871 -10.598 1.123 1.00 72.51 H new ATOM 0 HA2 GLY A 56 10.978 -12.156 2.403 1.00 33.14 H new ATOM 0 HA3 GLY A 56 10.779 -11.361 0.854 1.00 33.14 H new ATOM 886 N CYS A 57 12.087 -13.544 -0.386 1.00 14.13 N ATOM 887 CA CYS A 57 12.126 -14.792 -1.138 1.00 31.42 C ATOM 888 C CYS A 57 12.631 -15.937 -0.268 1.00 54.52 C ATOM 889 O CYS A 57 12.114 -17.052 -0.329 1.00 52.14 O ATOM 890 CB CYS A 57 13.017 -14.641 -2.372 1.00 55.42 C ATOM 891 SG CYS A 57 12.111 -14.338 -3.906 1.00 20.13 S ATOM 0 H CYS A 57 12.660 -12.797 -0.779 1.00 14.13 H new ATOM 0 HA CYS A 57 11.111 -15.025 -1.458 1.00 31.42 H new ATOM 0 HB2 CYS A 57 13.713 -13.819 -2.206 1.00 55.42 H new ATOM 0 HB3 CYS A 57 13.614 -15.545 -2.488 1.00 55.42 H new ATOM 0 HG CYS A 57 12.952 -14.223 -4.891 1.00 20.13 H new ATOM 897 N ARG A 58 13.646 -15.654 0.542 1.00 0.41 N ATOM 898 CA ARG A 58 14.225 -16.660 1.424 1.00 63.33 C ATOM 899 C ARG A 58 13.146 -17.310 2.288 1.00 51.50 C ATOM 900 O ARG A 58 13.114 -18.530 2.441 1.00 63.31 O ATOM 901 CB ARG A 58 15.298 -16.033 2.316 1.00 23.15 C ATOM 902 CG ARG A 58 16.546 -16.888 2.459 1.00 53.41 C ATOM 903 CD ARG A 58 17.578 -16.221 3.355 1.00 1.11 C ATOM 904 NE ARG A 58 17.740 -16.926 4.624 1.00 74.43 N ATOM 905 CZ ARG A 58 18.413 -18.065 4.750 1.00 22.40 C ATOM 906 NH1 ARG A 58 18.983 -18.623 3.691 1.00 41.53 N1+ ATOM 907 NH2 ARG A 58 18.517 -18.647 5.938 1.00 63.51 N ATOM 0 H ARG A 58 14.085 -14.735 0.606 1.00 0.41 H new ATOM 0 HA ARG A 58 14.684 -17.430 0.803 1.00 63.33 H new ATOM 0 HB2 ARG A 58 15.578 -15.062 1.906 1.00 23.15 H new ATOM 0 HB3 ARG A 58 14.876 -15.852 3.305 1.00 23.15 H new ATOM 0 HG2 ARG A 58 16.277 -17.860 2.873 1.00 53.41 H new ATOM 0 HG3 ARG A 58 16.979 -17.069 1.475 1.00 53.41 H new ATOM 0 HD2 ARG A 58 18.536 -16.182 2.837 1.00 1.11 H new ATOM 0 HD3 ARG A 58 17.278 -15.191 3.548 1.00 1.11 H new ATOM 0 HE ARG A 58 17.314 -16.522 5.458 1.00 74.43 H new ATOM 0 HH11 ARG A 58 18.906 -18.178 2.776 1.00 41.53 H new ATOM 0 HH12 ARG A 58 19.499 -19.497 3.791 1.00 41.53 H new ATOM 0 HH21 ARG A 58 18.080 -18.220 6.755 1.00 63.51 H new ATOM 0 HH22 ARG A 58 19.034 -19.521 6.034 1.00 63.51 H new ATOM 921 N GLN A 59 12.269 -16.485 2.849 1.00 65.22 N ATOM 922 CA GLN A 59 11.191 -16.979 3.698 1.00 30.22 C ATOM 923 C GLN A 59 10.192 -17.798 2.888 1.00 54.11 C ATOM 924 O GLN A 59 9.622 -18.770 3.386 1.00 12.13 O ATOM 925 CB GLN A 59 10.476 -15.813 4.382 1.00 4.34 C ATOM 926 CG GLN A 59 11.198 -15.296 5.617 1.00 64.34 C ATOM 927 CD GLN A 59 11.439 -16.382 6.648 1.00 22.52 C ATOM 928 OE1 GLN A 59 10.496 -16.940 7.210 1.00 74.05 O ATOM 929 NE2 GLN A 59 12.706 -16.687 6.901 1.00 54.40 N ATOM 0 H GLN A 59 12.283 -15.472 2.731 1.00 65.22 H new ATOM 0 HA GLN A 59 11.630 -17.624 4.460 1.00 30.22 H new ATOM 0 HB2 GLN A 59 10.365 -14.997 3.668 1.00 4.34 H new ATOM 0 HB3 GLN A 59 9.472 -16.129 4.664 1.00 4.34 H new ATOM 0 HG2 GLN A 59 12.153 -14.863 5.320 1.00 64.34 H new ATOM 0 HG3 GLN A 59 10.612 -14.495 6.068 1.00 64.34 H new ATOM 0 HE21 GLN A 59 13.456 -16.199 6.411 1.00 54.40 H new ATOM 0 HE22 GLN A 59 12.930 -17.410 7.585 1.00 54.40 H new ATOM 938 N ILE A 60 9.984 -17.400 1.637 1.00 0.42 N ATOM 939 CA ILE A 60 9.054 -18.097 0.759 1.00 74.32 C ATOM 940 C ILE A 60 9.597 -19.466 0.359 1.00 4.52 C ATOM 941 O ILE A 60 8.853 -20.445 0.288 1.00 43.43 O ATOM 942 CB ILE A 60 8.762 -17.282 -0.515 1.00 51.45 C ATOM 943 CG1 ILE A 60 8.194 -15.910 -0.148 1.00 2.44 C ATOM 944 CG2 ILE A 60 7.797 -18.036 -1.417 1.00 11.01 C ATOM 945 CD1 ILE A 60 8.253 -14.908 -1.281 1.00 50.34 C ATOM 0 H ILE A 60 10.447 -16.598 1.209 1.00 0.42 H new ATOM 0 HA ILE A 60 8.128 -18.224 1.319 1.00 74.32 H new ATOM 0 HB ILE A 60 9.696 -17.136 -1.057 1.00 51.45 H new ATOM 0 HG12 ILE A 60 7.158 -16.028 0.168 1.00 2.44 H new ATOM 0 HG13 ILE A 60 8.745 -15.514 0.705 1.00 2.44 H new ATOM 0 HG21 ILE A 60 7.601 -17.447 -2.313 1.00 11.01 H new ATOM 0 HG22 ILE A 60 8.236 -18.993 -1.701 1.00 11.01 H new ATOM 0 HG23 ILE A 60 6.862 -18.210 -0.885 1.00 11.01 H new ATOM 0 HD11 ILE A 60 7.833 -13.958 -0.949 1.00 50.34 H new ATOM 0 HD12 ILE A 60 9.290 -14.761 -1.583 1.00 50.34 H new ATOM 0 HD13 ILE A 60 7.678 -15.282 -2.128 1.00 50.34 H new ATOM 957 N LEU A 61 10.899 -19.526 0.099 1.00 65.53 N ATOM 958 CA LEU A 61 11.543 -20.775 -0.292 1.00 63.52 C ATOM 959 C LEU A 61 11.723 -21.695 0.911 1.00 61.23 C ATOM 960 O LEU A 61 11.504 -22.903 0.821 1.00 45.21 O ATOM 961 CB LEU A 61 12.900 -20.491 -0.938 1.00 61.21 C ATOM 962 CG LEU A 61 12.865 -19.747 -2.273 1.00 24.51 C ATOM 963 CD1 LEU A 61 14.188 -19.043 -2.528 1.00 61.03 C ATOM 964 CD2 LEU A 61 12.542 -20.706 -3.410 1.00 21.21 C ATOM 0 H LEU A 61 11.528 -18.725 0.152 1.00 65.53 H new ATOM 0 HA LEU A 61 10.900 -21.276 -1.016 1.00 63.52 H new ATOM 0 HB2 LEU A 61 13.499 -19.910 -0.237 1.00 61.21 H new ATOM 0 HB3 LEU A 61 13.415 -21.440 -1.087 1.00 61.21 H new ATOM 0 HG LEU A 61 12.079 -18.993 -2.225 1.00 24.51 H new ATOM 0 HD11 LEU A 61 14.143 -18.519 -3.483 1.00 61.03 H new ATOM 0 HD12 LEU A 61 14.378 -18.326 -1.729 1.00 61.03 H new ATOM 0 HD13 LEU A 61 14.992 -19.778 -2.555 1.00 61.03 H new ATOM 0 HD21 LEU A 61 12.521 -20.159 -4.353 1.00 21.21 H new ATOM 0 HD22 LEU A 61 13.305 -21.483 -3.458 1.00 21.21 H new ATOM 0 HD23 LEU A 61 11.568 -21.164 -3.235 1.00 21.21 H new ATOM 976 N GLY A 62 12.121 -21.115 2.039 1.00 54.22 N ATOM 977 CA GLY A 62 12.321 -21.897 3.246 1.00 34.23 C ATOM 978 C GLY A 62 11.102 -22.719 3.613 1.00 2.31 C ATOM 979 O GLY A 62 11.217 -23.753 4.269 1.00 54.25 O ATOM 0 H GLY A 62 12.309 -20.117 2.139 1.00 54.22 H new ATOM 0 HA2 GLY A 62 13.175 -22.561 3.108 1.00 34.23 H new ATOM 0 HA3 GLY A 62 12.567 -21.229 4.071 1.00 34.23 H new ATOM 983 N GLN A 63 9.929 -22.255 3.191 1.00 54.01 N ATOM 984 CA GLN A 63 8.682 -22.953 3.483 1.00 75.01 C ATOM 985 C GLN A 63 8.366 -23.978 2.399 1.00 33.10 C ATOM 986 O GLN A 63 7.694 -24.978 2.652 1.00 63.40 O ATOM 987 CB GLN A 63 7.532 -21.954 3.610 1.00 64.45 C ATOM 988 CG GLN A 63 7.181 -21.608 5.048 1.00 54.22 C ATOM 989 CD GLN A 63 5.963 -20.712 5.152 1.00 55.22 C ATOM 990 OE1 GLN A 63 4.836 -21.189 5.280 1.00 52.25 O ATOM 991 NE2 GLN A 63 6.184 -19.403 5.099 1.00 74.22 N ATOM 0 H GLN A 63 9.817 -21.400 2.647 1.00 54.01 H new ATOM 0 HA GLN A 63 8.802 -23.479 4.430 1.00 75.01 H new ATOM 0 HB2 GLN A 63 7.796 -21.039 3.079 1.00 64.45 H new ATOM 0 HB3 GLN A 63 6.650 -22.364 3.118 1.00 64.45 H new ATOM 0 HG2 GLN A 63 7.000 -22.527 5.605 1.00 54.22 H new ATOM 0 HG3 GLN A 63 8.032 -21.114 5.517 1.00 54.22 H new ATOM 0 HE21 GLN A 63 7.135 -19.050 4.992 1.00 74.22 H new ATOM 0 HE22 GLN A 63 5.403 -18.751 5.165 1.00 74.22 H new ATOM 1000 N LEU A 64 8.854 -23.722 1.190 1.00 40.32 N ATOM 1001 CA LEU A 64 8.623 -24.622 0.065 1.00 51.03 C ATOM 1002 C LEU A 64 9.612 -25.783 0.085 1.00 73.31 C ATOM 1003 O LEU A 64 9.326 -26.862 -0.434 1.00 35.15 O ATOM 1004 CB LEU A 64 8.740 -23.861 -1.256 1.00 2.41 C ATOM 1005 CG LEU A 64 7.612 -22.874 -1.564 1.00 15.32 C ATOM 1006 CD1 LEU A 64 7.982 -21.995 -2.748 1.00 32.33 C ATOM 1007 CD2 LEU A 64 6.313 -23.618 -1.834 1.00 10.20 C ATOM 0 H LEU A 64 9.412 -22.899 0.964 1.00 40.32 H new ATOM 0 HA LEU A 64 7.615 -25.025 0.156 1.00 51.03 H new ATOM 0 HB2 LEU A 64 9.683 -23.315 -1.256 1.00 2.41 H new ATOM 0 HB3 LEU A 64 8.792 -24.587 -2.067 1.00 2.41 H new ATOM 0 HG LEU A 64 7.466 -22.233 -0.694 1.00 15.32 H new ATOM 0 HD11 LEU A 64 7.168 -21.299 -2.953 1.00 32.33 H new ATOM 0 HD12 LEU A 64 8.888 -21.435 -2.517 1.00 32.33 H new ATOM 0 HD13 LEU A 64 8.155 -22.619 -3.625 1.00 32.33 H new ATOM 0 HD21 LEU A 64 5.521 -22.901 -2.051 1.00 10.20 H new ATOM 0 HD22 LEU A 64 6.445 -24.283 -2.688 1.00 10.20 H new ATOM 0 HD23 LEU A 64 6.040 -24.204 -0.957 1.00 10.20 H new ATOM 1019 N GLN A 65 10.773 -25.555 0.690 1.00 61.33 N ATOM 1020 CA GLN A 65 11.803 -26.583 0.779 1.00 33.13 C ATOM 1021 C GLN A 65 11.232 -27.877 1.348 1.00 72.14 C ATOM 1022 O GLN A 65 11.228 -28.923 0.698 1.00 30.03 O ATOM 1023 CB GLN A 65 12.965 -26.097 1.647 1.00 71.24 C ATOM 1024 CG GLN A 65 14.200 -25.711 0.851 1.00 74.01 C ATOM 1025 CD GLN A 65 15.452 -25.653 1.705 1.00 65.25 C ATOM 1026 OE1 GLN A 65 16.061 -24.596 1.863 1.00 12.30 O ATOM 1027 NE2 GLN A 65 15.840 -26.794 2.262 1.00 14.22 N ATOM 0 H GLN A 65 11.024 -24.668 1.126 1.00 61.33 H new ATOM 0 HA GLN A 65 12.171 -26.782 -0.228 1.00 33.13 H new ATOM 0 HB2 GLN A 65 12.636 -25.237 2.231 1.00 71.24 H new ATOM 0 HB3 GLN A 65 13.231 -26.881 2.356 1.00 71.24 H new ATOM 0 HG2 GLN A 65 14.348 -26.430 0.045 1.00 74.01 H new ATOM 0 HG3 GLN A 65 14.038 -24.739 0.385 1.00 74.01 H new ATOM 0 HE21 GLN A 65 15.304 -27.647 2.103 1.00 14.22 H new ATOM 0 HE22 GLN A 65 16.674 -26.817 2.848 1.00 14.22 H new ATOM 1036 N PRO A 66 10.739 -27.810 2.594 1.00 53.44 N ATOM 1037 CA PRO A 66 10.157 -28.967 3.279 1.00 60.13 C ATOM 1038 C PRO A 66 8.825 -29.392 2.670 1.00 40.22 C ATOM 1039 O PRO A 66 8.351 -30.503 2.904 1.00 34.42 O ATOM 1040 CB PRO A 66 9.954 -28.467 4.712 1.00 21.20 C ATOM 1041 CG PRO A 66 9.829 -26.988 4.581 1.00 52.44 C ATOM 1042 CD PRO A 66 10.712 -26.597 3.429 1.00 70.31 C ATOM 0 HA PRO A 66 10.796 -29.847 3.207 1.00 60.13 H new ATOM 0 HB2 PRO A 66 9.061 -28.902 5.161 1.00 21.20 H new ATOM 0 HB3 PRO A 66 10.795 -28.739 5.349 1.00 21.20 H new ATOM 0 HG2 PRO A 66 8.795 -26.699 4.395 1.00 52.44 H new ATOM 0 HG3 PRO A 66 10.140 -26.488 5.498 1.00 52.44 H new ATOM 0 HD2 PRO A 66 10.308 -25.743 2.885 1.00 70.31 H new ATOM 0 HD3 PRO A 66 11.711 -26.318 3.765 1.00 70.31 H new ATOM 1050 N SER A 67 8.226 -28.499 1.887 1.00 75.33 N ATOM 1051 CA SER A 67 6.948 -28.782 1.246 1.00 63.01 C ATOM 1052 C SER A 67 7.148 -29.575 -0.042 1.00 43.14 C ATOM 1053 O SER A 67 6.265 -30.320 -0.469 1.00 41.11 O ATOM 1054 CB SER A 67 6.205 -27.478 0.945 1.00 54.34 C ATOM 1055 OG SER A 67 5.887 -26.784 2.140 1.00 74.24 O ATOM 0 H SER A 67 8.606 -27.575 1.682 1.00 75.33 H new ATOM 0 HA SER A 67 6.351 -29.383 1.932 1.00 63.01 H new ATOM 0 HB2 SER A 67 6.820 -26.845 0.306 1.00 54.34 H new ATOM 0 HB3 SER A 67 5.291 -27.696 0.393 1.00 54.34 H new ATOM 0 HG SER A 67 6.647 -26.226 2.406 1.00 74.24 H new ATOM 1061 N LEU A 68 8.314 -29.409 -0.656 1.00 43.02 N ATOM 1062 CA LEU A 68 8.632 -30.108 -1.895 1.00 70.42 C ATOM 1063 C LEU A 68 8.424 -31.612 -1.741 1.00 45.41 C ATOM 1064 O LEU A 68 8.093 -32.304 -2.704 1.00 40.42 O ATOM 1065 CB LEU A 68 10.076 -29.822 -2.310 1.00 3.21 C ATOM 1066 CG LEU A 68 10.339 -28.444 -2.919 1.00 72.45 C ATOM 1067 CD1 LEU A 68 11.709 -27.931 -2.508 1.00 75.03 C ATOM 1068 CD2 LEU A 68 10.221 -28.502 -4.436 1.00 53.41 C ATOM 0 H LEU A 68 9.055 -28.796 -0.316 1.00 43.02 H new ATOM 0 HA LEU A 68 7.959 -29.744 -2.671 1.00 70.42 H new ATOM 0 HB2 LEU A 68 10.714 -29.938 -1.434 1.00 3.21 H new ATOM 0 HB3 LEU A 68 10.383 -30.580 -3.031 1.00 3.21 H new ATOM 0 HG LEU A 68 9.587 -27.751 -2.541 1.00 72.45 H new ATOM 0 HD11 LEU A 68 11.878 -26.950 -2.951 1.00 75.03 H new ATOM 0 HD12 LEU A 68 11.757 -27.852 -1.422 1.00 75.03 H new ATOM 0 HD13 LEU A 68 12.476 -28.623 -2.856 1.00 75.03 H new ATOM 0 HD21 LEU A 68 10.411 -27.513 -4.854 1.00 53.41 H new ATOM 0 HD22 LEU A 68 10.950 -29.209 -4.831 1.00 53.41 H new ATOM 0 HD23 LEU A 68 9.217 -28.825 -4.711 1.00 53.41 H new ATOM 1080 N GLN A 69 8.618 -32.108 -0.524 1.00 61.43 N ATOM 1081 CA GLN A 69 8.449 -33.530 -0.244 1.00 51.10 C ATOM 1082 C GLN A 69 7.026 -33.981 -0.552 1.00 23.22 C ATOM 1083 O GLN A 69 6.813 -35.028 -1.164 1.00 2.25 O ATOM 1084 CB GLN A 69 8.786 -33.826 1.219 1.00 23.41 C ATOM 1085 CG GLN A 69 9.545 -35.129 1.417 1.00 44.11 C ATOM 1086 CD GLN A 69 10.797 -34.953 2.253 1.00 41.11 C ATOM 1087 OE1 GLN A 69 10.811 -34.190 3.219 1.00 62.21 O ATOM 1088 NE2 GLN A 69 11.858 -35.662 1.885 1.00 2.45 N ATOM 0 H GLN A 69 8.892 -31.548 0.283 1.00 61.43 H new ATOM 0 HA GLN A 69 9.132 -34.085 -0.887 1.00 51.10 H new ATOM 0 HB2 GLN A 69 9.380 -33.005 1.620 1.00 23.41 H new ATOM 0 HB3 GLN A 69 7.862 -33.862 1.796 1.00 23.41 H new ATOM 0 HG2 GLN A 69 8.891 -35.857 1.898 1.00 44.11 H new ATOM 0 HG3 GLN A 69 9.817 -35.538 0.444 1.00 44.11 H new ATOM 0 HE21 GLN A 69 11.802 -36.282 1.077 1.00 2.45 H new ATOM 0 HE22 GLN A 69 12.729 -35.586 2.410 1.00 2.45 H new ATOM 1097 N THR A 70 6.052 -33.184 -0.123 1.00 45.32 N ATOM 1098 CA THR A 70 4.648 -33.501 -0.352 1.00 44.24 C ATOM 1099 C THR A 70 3.931 -32.352 -1.051 1.00 4.02 C ATOM 1100 O THR A 70 2.818 -31.984 -0.679 1.00 51.13 O ATOM 1101 CB THR A 70 3.921 -33.817 0.969 1.00 71.04 C ATOM 1102 OG1 THR A 70 4.847 -34.347 1.924 1.00 31.03 O ATOM 1103 CG2 THR A 70 2.794 -34.814 0.742 1.00 15.33 C ATOM 0 H THR A 70 6.210 -32.314 0.385 1.00 45.32 H new ATOM 0 HA THR A 70 4.624 -34.383 -0.992 1.00 44.24 H new ATOM 0 HB THR A 70 3.494 -32.890 1.353 1.00 71.04 H new ATOM 0 HG1 THR A 70 4.377 -34.543 2.761 1.00 31.03 H new ATOM 0 HG21 THR A 70 2.296 -35.022 1.689 1.00 15.33 H new ATOM 0 HG22 THR A 70 2.075 -34.396 0.037 1.00 15.33 H new ATOM 0 HG23 THR A 70 3.203 -35.740 0.337 1.00 15.33 H new ATOM 1111 N GLY A 71 4.577 -31.789 -2.068 1.00 40.34 N ATOM 1112 CA GLY A 71 3.985 -30.687 -2.804 1.00 43.44 C ATOM 1113 C GLY A 71 3.424 -31.120 -4.144 1.00 45.52 C ATOM 1114 O GLY A 71 3.804 -32.162 -4.677 1.00 54.43 O ATOM 0 H GLY A 71 5.499 -32.076 -2.395 1.00 40.34 H new ATOM 0 HA2 GLY A 71 3.189 -30.241 -2.207 1.00 43.44 H new ATOM 0 HA3 GLY A 71 4.737 -29.914 -2.961 1.00 43.44 H new ATOM 1118 N SER A 72 2.514 -30.318 -4.688 1.00 21.43 N ATOM 1119 CA SER A 72 1.895 -30.627 -5.973 1.00 51.33 C ATOM 1120 C SER A 72 2.551 -29.833 -7.097 1.00 13.44 C ATOM 1121 O SER A 72 3.554 -29.151 -6.886 1.00 62.34 O ATOM 1122 CB SER A 72 0.395 -30.324 -5.926 1.00 13.43 C ATOM 1123 OG SER A 72 0.159 -28.927 -5.906 1.00 62.13 O ATOM 0 H SER A 72 2.189 -29.451 -4.260 1.00 21.43 H new ATOM 0 HA SER A 72 2.038 -31.689 -6.172 1.00 51.33 H new ATOM 0 HB2 SER A 72 -0.096 -30.767 -6.792 1.00 13.43 H new ATOM 0 HB3 SER A 72 -0.045 -30.783 -5.041 1.00 13.43 H new ATOM 0 HG SER A 72 -0.806 -28.759 -5.878 1.00 62.13 H new ATOM 1129 N GLU A 73 1.977 -29.926 -8.293 1.00 53.45 N ATOM 1130 CA GLU A 73 2.506 -29.216 -9.451 1.00 34.32 C ATOM 1131 C GLU A 73 2.650 -27.726 -9.158 1.00 52.35 C ATOM 1132 O GLU A 73 3.574 -27.074 -9.644 1.00 25.01 O ATOM 1133 CB GLU A 73 1.596 -29.423 -10.664 1.00 44.40 C ATOM 1134 CG GLU A 73 2.055 -28.674 -11.904 1.00 62.13 C ATOM 1135 CD GLU A 73 1.432 -29.217 -13.176 1.00 41.10 C ATOM 1136 OE1 GLU A 73 0.189 -29.330 -13.225 1.00 75.23 O ATOM 1137 OE2 GLU A 73 2.187 -29.526 -14.121 1.00 60.25 O1- ATOM 0 H GLU A 73 1.146 -30.486 -8.485 1.00 53.45 H new ATOM 0 HA GLU A 73 3.493 -29.621 -9.673 1.00 34.32 H new ATOM 0 HB2 GLU A 73 1.544 -30.488 -10.891 1.00 44.40 H new ATOM 0 HB3 GLU A 73 0.586 -29.102 -10.409 1.00 44.40 H new ATOM 0 HG2 GLU A 73 1.802 -27.619 -11.801 1.00 62.13 H new ATOM 0 HG3 GLU A 73 3.141 -28.735 -11.980 1.00 62.13 H new ATOM 1144 N GLU A 74 1.730 -27.195 -8.359 1.00 2.50 N ATOM 1145 CA GLU A 74 1.754 -25.781 -8.001 1.00 21.23 C ATOM 1146 C GLU A 74 2.991 -25.450 -7.170 1.00 23.42 C ATOM 1147 O GLU A 74 3.691 -24.473 -7.440 1.00 64.12 O ATOM 1148 CB GLU A 74 0.490 -25.407 -7.224 1.00 71.21 C ATOM 1149 CG GLU A 74 -0.783 -25.515 -8.046 1.00 22.33 C ATOM 1150 CD GLU A 74 -1.843 -24.520 -7.614 1.00 33.13 C ATOM 1151 OE1 GLU A 74 -1.817 -23.374 -8.111 1.00 62.41 O ATOM 1152 OE2 GLU A 74 -2.696 -24.886 -6.779 1.00 12.05 O1- ATOM 0 H GLU A 74 0.959 -27.722 -7.948 1.00 2.50 H new ATOM 0 HA GLU A 74 1.791 -25.201 -8.923 1.00 21.23 H new ATOM 0 HB2 GLU A 74 0.405 -26.054 -6.351 1.00 71.21 H new ATOM 0 HB3 GLU A 74 0.589 -24.386 -6.855 1.00 71.21 H new ATOM 0 HG2 GLU A 74 -0.546 -25.354 -9.098 1.00 22.33 H new ATOM 0 HG3 GLU A 74 -1.182 -26.526 -7.960 1.00 22.33 H new ATOM 1159 N LEU A 75 3.254 -26.272 -6.160 1.00 21.05 N ATOM 1160 CA LEU A 75 4.407 -26.068 -5.289 1.00 43.44 C ATOM 1161 C LEU A 75 5.703 -26.070 -6.091 1.00 73.13 C ATOM 1162 O LEU A 75 6.561 -25.207 -5.907 1.00 1.33 O ATOM 1163 CB LEU A 75 4.456 -27.154 -4.214 1.00 53.42 C ATOM 1164 CG LEU A 75 4.926 -26.707 -2.828 1.00 72.41 C ATOM 1165 CD1 LEU A 75 3.957 -27.183 -1.757 1.00 75.25 C ATOM 1166 CD2 LEU A 75 6.330 -27.224 -2.549 1.00 21.03 C ATOM 0 H LEU A 75 2.685 -27.085 -5.924 1.00 21.05 H new ATOM 0 HA LEU A 75 4.302 -25.095 -4.809 1.00 43.44 H new ATOM 0 HB2 LEU A 75 3.460 -27.585 -4.116 1.00 53.42 H new ATOM 0 HB3 LEU A 75 5.115 -27.950 -4.560 1.00 53.42 H new ATOM 0 HG LEU A 75 4.951 -25.617 -2.807 1.00 72.41 H new ATOM 0 HD11 LEU A 75 4.307 -26.856 -0.778 1.00 75.25 H new ATOM 0 HD12 LEU A 75 2.969 -26.763 -1.948 1.00 75.25 H new ATOM 0 HD13 LEU A 75 3.899 -28.271 -1.777 1.00 75.25 H new ATOM 0 HD21 LEU A 75 6.648 -26.897 -1.559 1.00 21.03 H new ATOM 0 HD22 LEU A 75 6.331 -28.313 -2.589 1.00 21.03 H new ATOM 0 HD23 LEU A 75 7.017 -26.833 -3.299 1.00 21.03 H new ATOM 1178 N ARG A 76 5.839 -27.046 -6.983 1.00 23.05 N ATOM 1179 CA ARG A 76 7.031 -27.160 -7.815 1.00 63.24 C ATOM 1180 C ARG A 76 7.246 -25.892 -8.635 1.00 14.40 C ATOM 1181 O ARG A 76 8.348 -25.344 -8.672 1.00 54.51 O ATOM 1182 CB ARG A 76 6.914 -28.368 -8.747 1.00 33.32 C ATOM 1183 CG ARG A 76 7.888 -29.488 -8.417 1.00 34.32 C ATOM 1184 CD ARG A 76 8.572 -30.018 -9.667 1.00 24.33 C ATOM 1185 NE ARG A 76 7.634 -30.694 -10.560 1.00 24.30 N ATOM 1186 CZ ARG A 76 8.004 -31.365 -11.645 1.00 40.13 C ATOM 1187 NH1 ARG A 76 9.287 -31.450 -11.969 1.00 23.43 N1+ ATOM 1188 NH2 ARG A 76 7.091 -31.953 -12.407 1.00 60.44 N ATOM 0 H ARG A 76 5.139 -27.769 -7.148 1.00 23.05 H new ATOM 0 HA ARG A 76 7.890 -27.297 -7.158 1.00 63.24 H new ATOM 0 HB2 ARG A 76 5.897 -28.756 -8.699 1.00 33.32 H new ATOM 0 HB3 ARG A 76 7.082 -28.042 -9.773 1.00 33.32 H new ATOM 0 HG2 ARG A 76 8.639 -29.123 -7.717 1.00 34.32 H new ATOM 0 HG3 ARG A 76 7.356 -30.299 -7.920 1.00 34.32 H new ATOM 0 HD2 ARG A 76 9.047 -29.193 -10.198 1.00 24.33 H new ATOM 0 HD3 ARG A 76 9.363 -30.711 -9.381 1.00 24.33 H new ATOM 0 HE ARG A 76 6.640 -30.648 -10.338 1.00 24.30 H new ATOM 0 HH11 ARG A 76 9.991 -31.000 -11.385 1.00 23.43 H new ATOM 0 HH12 ARG A 76 9.569 -31.966 -12.802 1.00 23.43 H new ATOM 0 HH21 ARG A 76 6.103 -31.890 -12.160 1.00 60.44 H new ATOM 0 HH22 ARG A 76 7.377 -32.468 -13.240 1.00 60.44 H new ATOM 1202 N SER A 77 6.186 -25.429 -9.289 1.00 31.42 N ATOM 1203 CA SER A 77 6.260 -24.227 -10.112 1.00 21.42 C ATOM 1204 C SER A 77 6.793 -23.048 -9.304 1.00 35.12 C ATOM 1205 O SER A 77 7.622 -22.273 -9.786 1.00 62.33 O ATOM 1206 CB SER A 77 4.881 -23.888 -10.682 1.00 55.45 C ATOM 1207 OG SER A 77 4.673 -24.529 -11.927 1.00 61.51 O ATOM 0 H SER A 77 5.265 -25.868 -9.265 1.00 31.42 H new ATOM 0 HA SER A 77 6.948 -24.421 -10.935 1.00 21.42 H new ATOM 0 HB2 SER A 77 4.108 -24.195 -9.978 1.00 55.45 H new ATOM 0 HB3 SER A 77 4.790 -22.809 -10.805 1.00 55.45 H new ATOM 0 HG SER A 77 3.784 -24.298 -12.269 1.00 61.51 H new ATOM 1213 N LEU A 78 6.314 -22.918 -8.072 1.00 63.30 N ATOM 1214 CA LEU A 78 6.742 -21.834 -7.195 1.00 62.10 C ATOM 1215 C LEU A 78 8.242 -21.909 -6.928 1.00 5.11 C ATOM 1216 O LEU A 78 8.980 -20.964 -7.209 1.00 23.03 O ATOM 1217 CB LEU A 78 5.974 -21.889 -5.873 1.00 3.03 C ATOM 1218 CG LEU A 78 4.832 -20.883 -5.718 1.00 1.42 C ATOM 1219 CD1 LEU A 78 5.349 -19.461 -5.870 1.00 25.33 C ATOM 1220 CD2 LEU A 78 3.733 -21.164 -6.731 1.00 4.11 C ATOM 0 H LEU A 78 5.629 -23.550 -7.658 1.00 63.30 H new ATOM 0 HA LEU A 78 6.528 -20.889 -7.694 1.00 62.10 H new ATOM 0 HB2 LEU A 78 5.566 -22.893 -5.754 1.00 3.03 H new ATOM 0 HB3 LEU A 78 6.681 -21.734 -5.058 1.00 3.03 H new ATOM 0 HG LEU A 78 4.412 -20.990 -4.718 1.00 1.42 H new ATOM 0 HD11 LEU A 78 4.523 -18.759 -5.757 1.00 25.33 H new ATOM 0 HD12 LEU A 78 6.100 -19.263 -5.105 1.00 25.33 H new ATOM 0 HD13 LEU A 78 5.795 -19.340 -6.857 1.00 25.33 H new ATOM 0 HD21 LEU A 78 2.929 -20.439 -6.606 1.00 4.11 H new ATOM 0 HD22 LEU A 78 4.139 -21.086 -7.740 1.00 4.11 H new ATOM 0 HD23 LEU A 78 3.342 -22.169 -6.574 1.00 4.11 H new ATOM 1232 N TYR A 79 8.685 -23.037 -6.387 1.00 33.13 N ATOM 1233 CA TYR A 79 10.097 -23.235 -6.083 1.00 13.01 C ATOM 1234 C TYR A 79 10.963 -22.950 -7.306 1.00 14.53 C ATOM 1235 O TYR A 79 12.113 -22.529 -7.181 1.00 21.30 O ATOM 1236 CB TYR A 79 10.340 -24.664 -5.595 1.00 53.45 C ATOM 1237 CG TYR A 79 11.492 -24.785 -4.624 1.00 41.35 C ATOM 1238 CD1 TYR A 79 11.442 -24.172 -3.377 1.00 71.02 C ATOM 1239 CD2 TYR A 79 12.631 -25.511 -4.950 1.00 25.35 C ATOM 1240 CE1 TYR A 79 12.493 -24.279 -2.486 1.00 72.02 C ATOM 1241 CE2 TYR A 79 13.684 -25.624 -4.066 1.00 74.14 C ATOM 1242 CZ TYR A 79 13.611 -25.007 -2.835 1.00 41.31 C ATOM 1243 OH TYR A 79 14.660 -25.116 -1.951 1.00 54.33 O ATOM 0 H TYR A 79 8.087 -23.829 -6.150 1.00 33.13 H new ATOM 0 HA TYR A 79 10.373 -22.536 -5.293 1.00 13.01 H new ATOM 0 HB2 TYR A 79 9.433 -25.035 -5.118 1.00 53.45 H new ATOM 0 HB3 TYR A 79 10.532 -25.305 -6.455 1.00 53.45 H new ATOM 0 HD1 TYR A 79 10.567 -23.603 -3.100 1.00 71.02 H new ATOM 0 HD2 TYR A 79 12.693 -25.996 -5.913 1.00 25.35 H new ATOM 0 HE1 TYR A 79 12.439 -23.795 -1.522 1.00 72.02 H new ATOM 0 HE2 TYR A 79 14.561 -26.193 -4.337 1.00 74.14 H new ATOM 0 HH TYR A 79 15.369 -25.663 -2.350 1.00 54.33 H new ATOM 1253 N ASN A 80 10.402 -23.181 -8.488 1.00 2.23 N ATOM 1254 CA ASN A 80 11.121 -22.949 -9.734 1.00 13.25 C ATOM 1255 C ASN A 80 11.249 -21.455 -10.019 1.00 73.22 C ATOM 1256 O ASN A 80 12.355 -20.924 -10.126 1.00 51.31 O ATOM 1257 CB ASN A 80 10.407 -23.641 -10.897 1.00 70.32 C ATOM 1258 CG ASN A 80 10.916 -25.050 -11.131 1.00 55.42 C ATOM 1259 OD1 ASN A 80 10.932 -25.877 -10.218 1.00 3.24 O ATOM 1260 ND2 ASN A 80 11.335 -25.332 -12.359 1.00 31.20 N ATOM 0 H ASN A 80 9.451 -23.529 -8.609 1.00 2.23 H new ATOM 0 HA ASN A 80 12.122 -23.369 -9.629 1.00 13.25 H new ATOM 0 HB2 ASN A 80 9.336 -23.673 -10.695 1.00 70.32 H new ATOM 0 HB3 ASN A 80 10.543 -23.053 -11.805 1.00 70.32 H new ATOM 0 HD21 ASN A 80 11.688 -26.264 -12.576 1.00 31.20 H new ATOM 0 HD22 ASN A 80 11.304 -24.617 -13.085 1.00 31.20 H new ATOM 1267 N THR A 81 10.110 -20.781 -10.140 1.00 71.42 N ATOM 1268 CA THR A 81 10.093 -19.351 -10.413 1.00 4.44 C ATOM 1269 C THR A 81 10.826 -18.575 -9.324 1.00 14.42 C ATOM 1270 O THR A 81 11.742 -17.803 -9.609 1.00 11.33 O ATOM 1271 CB THR A 81 8.652 -18.816 -10.526 1.00 54.44 C ATOM 1272 OG1 THR A 81 7.908 -19.607 -11.459 1.00 72.31 O ATOM 1273 CG2 THR A 81 8.648 -17.361 -10.969 1.00 21.22 C ATOM 0 H THR A 81 9.186 -21.204 -10.053 1.00 71.42 H new ATOM 0 HA THR A 81 10.602 -19.206 -11.366 1.00 4.44 H new ATOM 0 HB THR A 81 8.186 -18.880 -9.543 1.00 54.44 H new ATOM 0 HG1 THR A 81 7.640 -20.449 -11.034 1.00 72.31 H new ATOM 0 HG21 THR A 81 7.620 -17.006 -11.042 1.00 21.22 H new ATOM 0 HG22 THR A 81 9.190 -16.757 -10.241 1.00 21.22 H new ATOM 0 HG23 THR A 81 9.131 -17.276 -11.942 1.00 21.22 H new ATOM 1281 N ILE A 82 10.419 -18.786 -8.077 1.00 4.34 N ATOM 1282 CA ILE A 82 11.039 -18.107 -6.946 1.00 5.20 C ATOM 1283 C ILE A 82 12.553 -18.280 -6.964 1.00 32.54 C ATOM 1284 O ILE A 82 13.299 -17.344 -6.680 1.00 4.32 O ATOM 1285 CB ILE A 82 10.490 -18.631 -5.606 1.00 42.45 C ATOM 1286 CG1 ILE A 82 8.973 -18.441 -5.542 1.00 43.42 C ATOM 1287 CG2 ILE A 82 11.167 -17.922 -4.443 1.00 52.20 C ATOM 1288 CD1 ILE A 82 8.317 -19.199 -4.409 1.00 22.42 C ATOM 0 H ILE A 82 9.663 -19.422 -7.824 1.00 4.34 H new ATOM 0 HA ILE A 82 10.795 -17.049 -7.041 1.00 5.20 H new ATOM 0 HB ILE A 82 10.707 -19.697 -5.533 1.00 42.45 H new ATOM 0 HG12 ILE A 82 8.752 -17.379 -5.434 1.00 43.42 H new ATOM 0 HG13 ILE A 82 8.534 -18.763 -6.486 1.00 43.42 H new ATOM 0 HG21 ILE A 82 10.768 -18.303 -3.503 1.00 52.20 H new ATOM 0 HG22 ILE A 82 12.241 -18.103 -4.482 1.00 52.20 H new ATOM 0 HG23 ILE A 82 10.977 -16.851 -4.510 1.00 52.20 H new ATOM 0 HD11 ILE A 82 7.242 -19.018 -4.424 1.00 22.42 H new ATOM 0 HD12 ILE A 82 8.507 -20.266 -4.527 1.00 22.42 H new ATOM 0 HD13 ILE A 82 8.728 -18.860 -3.458 1.00 22.42 H new ATOM 1300 N ALA A 83 13.002 -19.484 -7.305 1.00 20.23 N ATOM 1301 CA ALA A 83 14.429 -19.778 -7.365 1.00 62.13 C ATOM 1302 C ALA A 83 15.136 -18.866 -8.361 1.00 34.50 C ATOM 1303 O ALA A 83 16.262 -18.429 -8.125 1.00 34.42 O ATOM 1304 CB ALA A 83 14.650 -21.238 -7.734 1.00 54.23 C ATOM 0 H ALA A 83 12.399 -20.271 -7.544 1.00 20.23 H new ATOM 0 HA ALA A 83 14.855 -19.594 -6.379 1.00 62.13 H new ATOM 0 HB1 ALA A 83 15.719 -21.445 -7.776 1.00 54.23 H new ATOM 0 HB2 ALA A 83 14.186 -21.877 -6.983 1.00 54.23 H new ATOM 0 HB3 ALA A 83 14.203 -21.439 -8.708 1.00 54.23 H new ATOM 1310 N VAL A 84 14.469 -18.583 -9.475 1.00 44.40 N ATOM 1311 CA VAL A 84 15.034 -17.721 -10.507 1.00 40.23 C ATOM 1312 C VAL A 84 14.981 -16.256 -10.089 1.00 71.01 C ATOM 1313 O VAL A 84 15.900 -15.485 -10.370 1.00 50.22 O ATOM 1314 CB VAL A 84 14.291 -17.888 -11.846 1.00 73.25 C ATOM 1315 CG1 VAL A 84 14.893 -16.979 -12.907 1.00 3.00 C ATOM 1316 CG2 VAL A 84 14.326 -19.341 -12.295 1.00 72.10 C ATOM 0 H VAL A 84 13.536 -18.938 -9.686 1.00 44.40 H new ATOM 0 HA VAL A 84 16.074 -18.022 -10.636 1.00 40.23 H new ATOM 0 HB VAL A 84 13.249 -17.600 -11.703 1.00 73.25 H new ATOM 0 HG11 VAL A 84 14.356 -17.110 -13.846 1.00 3.00 H new ATOM 0 HG12 VAL A 84 14.812 -15.941 -12.585 1.00 3.00 H new ATOM 0 HG13 VAL A 84 15.943 -17.234 -13.051 1.00 3.00 H new ATOM 0 HG21 VAL A 84 13.797 -19.442 -13.242 1.00 72.10 H new ATOM 0 HG22 VAL A 84 15.361 -19.658 -12.422 1.00 72.10 H new ATOM 0 HG23 VAL A 84 13.845 -19.966 -11.543 1.00 72.10 H new ATOM 1326 N LEU A 85 13.900 -15.877 -9.416 1.00 10.02 N ATOM 1327 CA LEU A 85 13.727 -14.502 -8.958 1.00 74.45 C ATOM 1328 C LEU A 85 14.756 -14.151 -7.889 1.00 52.54 C ATOM 1329 O LEU A 85 15.479 -13.162 -8.010 1.00 14.12 O ATOM 1330 CB LEU A 85 12.315 -14.302 -8.407 1.00 5.00 C ATOM 1331 CG LEU A 85 11.774 -12.872 -8.448 1.00 32.14 C ATOM 1332 CD1 LEU A 85 10.474 -12.815 -9.235 1.00 10.11 C ATOM 1333 CD2 LEU A 85 11.571 -12.338 -7.038 1.00 5.22 C ATOM 0 H LEU A 85 13.130 -16.502 -9.175 1.00 10.02 H new ATOM 0 HA LEU A 85 13.875 -13.839 -9.811 1.00 74.45 H new ATOM 0 HB2 LEU A 85 11.634 -14.943 -8.967 1.00 5.00 H new ATOM 0 HB3 LEU A 85 12.298 -14.646 -7.373 1.00 5.00 H new ATOM 0 HG LEU A 85 12.507 -12.241 -8.951 1.00 32.14 H new ATOM 0 HD11 LEU A 85 10.104 -11.790 -9.253 1.00 10.11 H new ATOM 0 HD12 LEU A 85 10.651 -13.155 -10.255 1.00 10.11 H new ATOM 0 HD13 LEU A 85 9.733 -13.459 -8.761 1.00 10.11 H new ATOM 0 HD21 LEU A 85 11.186 -11.320 -7.087 1.00 5.22 H new ATOM 0 HD22 LEU A 85 10.859 -12.971 -6.508 1.00 5.22 H new ATOM 0 HD23 LEU A 85 12.523 -12.341 -6.507 1.00 5.22 H new ATOM 1345 N TYR A 86 14.819 -14.968 -6.843 1.00 61.55 N ATOM 1346 CA TYR A 86 15.760 -14.745 -5.753 1.00 2.13 C ATOM 1347 C TYR A 86 17.179 -14.568 -6.285 1.00 24.33 C ATOM 1348 O TYR A 86 17.924 -13.701 -5.824 1.00 21.44 O ATOM 1349 CB TYR A 86 15.716 -15.911 -4.765 1.00 41.10 C ATOM 1350 CG TYR A 86 16.803 -15.857 -3.715 1.00 20.40 C ATOM 1351 CD1 TYR A 86 18.054 -16.414 -3.953 1.00 4.41 C ATOM 1352 CD2 TYR A 86 16.578 -15.252 -2.485 1.00 12.05 C ATOM 1353 CE1 TYR A 86 19.050 -16.367 -2.996 1.00 65.52 C ATOM 1354 CE2 TYR A 86 17.569 -15.199 -1.523 1.00 71.23 C ATOM 1355 CZ TYR A 86 18.802 -15.759 -1.783 1.00 34.12 C ATOM 1356 OH TYR A 86 19.792 -15.710 -0.828 1.00 62.13 O ATOM 0 H TYR A 86 14.228 -15.792 -6.728 1.00 61.55 H new ATOM 0 HA TYR A 86 15.468 -13.830 -5.238 1.00 2.13 H new ATOM 0 HB2 TYR A 86 14.745 -15.920 -4.270 1.00 41.10 H new ATOM 0 HB3 TYR A 86 15.802 -16.847 -5.317 1.00 41.10 H new ATOM 0 HD1 TYR A 86 18.251 -16.891 -4.901 1.00 4.41 H new ATOM 0 HD2 TYR A 86 15.612 -14.816 -2.277 1.00 12.05 H new ATOM 0 HE1 TYR A 86 20.017 -16.804 -3.197 1.00 65.52 H new ATOM 0 HE2 TYR A 86 17.379 -14.722 -0.573 1.00 71.23 H new ATOM 0 HH TYR A 86 20.593 -16.163 -1.164 1.00 62.13 H new ATOM 1366 N CYS A 87 17.546 -15.394 -7.258 1.00 5.11 N ATOM 1367 CA CYS A 87 18.875 -15.330 -7.854 1.00 35.01 C ATOM 1368 C CYS A 87 19.142 -13.949 -8.443 1.00 1.03 C ATOM 1369 O CYS A 87 20.261 -13.440 -8.379 1.00 71.24 O ATOM 1370 CB CYS A 87 19.021 -16.398 -8.941 1.00 11.41 C ATOM 1371 SG CYS A 87 19.590 -18.001 -8.328 1.00 20.03 S ATOM 0 H CYS A 87 16.942 -16.116 -7.651 1.00 5.11 H new ATOM 0 HA CYS A 87 19.607 -15.517 -7.069 1.00 35.01 H new ATOM 0 HB2 CYS A 87 18.059 -16.531 -9.436 1.00 11.41 H new ATOM 0 HB3 CYS A 87 19.721 -16.040 -9.696 1.00 11.41 H new ATOM 0 HG CYS A 87 18.650 -18.553 -7.619 1.00 20.03 H new ATOM 1377 N VAL A 88 18.106 -13.346 -9.018 1.00 62.20 N ATOM 1378 CA VAL A 88 18.227 -12.024 -9.620 1.00 54.54 C ATOM 1379 C VAL A 88 18.678 -10.992 -8.591 1.00 35.12 C ATOM 1380 O VAL A 88 19.462 -10.094 -8.899 1.00 13.13 O ATOM 1381 CB VAL A 88 16.895 -11.565 -10.241 1.00 1.41 C ATOM 1382 CG1 VAL A 88 17.044 -10.186 -10.865 1.00 55.53 C ATOM 1383 CG2 VAL A 88 16.411 -12.575 -11.269 1.00 74.24 C ATOM 0 H VAL A 88 17.173 -13.753 -9.079 1.00 62.20 H new ATOM 0 HA VAL A 88 18.977 -12.102 -10.407 1.00 54.54 H new ATOM 0 HB VAL A 88 16.148 -11.500 -9.450 1.00 1.41 H new ATOM 0 HG11 VAL A 88 16.093 -9.878 -11.299 1.00 55.53 H new ATOM 0 HG12 VAL A 88 17.342 -9.470 -10.099 1.00 55.53 H new ATOM 0 HG13 VAL A 88 17.804 -10.220 -11.645 1.00 55.53 H new ATOM 0 HG21 VAL A 88 15.468 -12.235 -11.698 1.00 74.24 H new ATOM 0 HG22 VAL A 88 17.155 -12.674 -12.060 1.00 74.24 H new ATOM 0 HG23 VAL A 88 16.262 -13.542 -10.788 1.00 74.24 H new ATOM 1393 N HIS A 89 18.179 -11.128 -7.366 1.00 24.33 N ATOM 1394 CA HIS A 89 18.530 -10.208 -6.290 1.00 11.11 C ATOM 1395 C HIS A 89 19.838 -10.627 -5.623 1.00 23.53 C ATOM 1396 O HIS A 89 20.329 -9.850 -4.805 1.00 30.51 O ATOM 1397 CB HIS A 89 17.410 -10.152 -5.251 1.00 60.41 C ATOM 1398 CG HIS A 89 16.085 -9.747 -5.820 1.00 52.42 C ATOM 1399 ND1 HIS A 89 15.957 -8.891 -6.893 1.00 1.34 N ATOM 1400 CD2 HIS A 89 14.825 -10.086 -5.459 1.00 31.22 C ATOM 1401 CE1 HIS A 89 14.676 -8.721 -7.168 1.00 42.51 C ATOM 1402 NE2 HIS A 89 13.968 -9.436 -6.312 1.00 62.14 N ATOM 0 H HIS A 89 17.530 -11.867 -7.094 1.00 24.33 H new ATOM 0 HA HIS A 89 18.663 -9.216 -6.722 1.00 11.11 H new ATOM 0 HB2 HIS A 89 17.311 -11.131 -4.782 1.00 60.41 H new ATOM 0 HB3 HIS A 89 17.689 -9.450 -4.466 1.00 60.41 H new ATOM 0 HD1 HIS A 89 16.731 -8.457 -7.396 1.00 1.34 H new ATOM 0 HD2 HIS A 89 14.546 -10.745 -4.650 1.00 31.22 H new ATOM 0 HE1 HIS A 89 14.276 -8.103 -7.958 1.00 42.51 H new ATOM 0 HE2 HIS A 89 12.950 -9.495 -6.289 1.00 62.14 H new ATOM 1411 N GLN A 90 20.393 -11.792 -5.940 1.00 64.43 N ATOM 1412 CA GLN A 90 21.640 -12.236 -5.329 1.00 10.42 C ATOM 1413 C GLN A 90 22.804 -12.095 -6.304 1.00 23.04 C ATOM 1414 O GLN A 90 23.800 -12.811 -6.203 1.00 12.45 O ATOM 1415 CB GLN A 90 21.519 -13.689 -4.867 1.00 22.31 C ATOM 1416 CG GLN A 90 22.612 -14.114 -3.900 1.00 34.24 C ATOM 1417 CD GLN A 90 22.060 -14.682 -2.609 1.00 75.35 C ATOM 1418 OE1 GLN A 90 21.990 -15.899 -2.433 1.00 1.40 O ATOM 1419 NE2 GLN A 90 21.665 -13.803 -1.696 1.00 63.24 N ATOM 0 H GLN A 90 19.999 -12.446 -6.617 1.00 64.43 H new ATOM 0 HA GLN A 90 21.836 -11.603 -4.463 1.00 10.42 H new ATOM 0 HB2 GLN A 90 20.549 -13.830 -4.390 1.00 22.31 H new ATOM 0 HB3 GLN A 90 21.543 -14.342 -5.739 1.00 22.31 H new ATOM 0 HG2 GLN A 90 23.246 -14.860 -4.379 1.00 34.24 H new ATOM 0 HG3 GLN A 90 23.245 -13.256 -3.674 1.00 34.24 H new ATOM 0 HE21 GLN A 90 21.741 -12.803 -1.884 1.00 63.24 H new ATOM 0 HE22 GLN A 90 21.285 -14.127 -0.807 1.00 63.24 H new ATOM 1428 N ARG A 91 22.670 -11.169 -7.247 1.00 15.25 N ATOM 1429 CA ARG A 91 23.711 -10.935 -8.242 1.00 70.02 C ATOM 1430 C ARG A 91 24.016 -12.212 -9.019 1.00 10.34 C ATOM 1431 O ARG A 91 25.122 -12.389 -9.531 1.00 64.53 O ATOM 1432 CB ARG A 91 24.984 -10.419 -7.568 1.00 62.21 C ATOM 1433 CG ARG A 91 25.708 -9.351 -8.370 1.00 12.45 C ATOM 1434 CD ARG A 91 25.581 -7.984 -7.717 1.00 14.35 C ATOM 1435 NE ARG A 91 25.650 -6.901 -8.696 1.00 23.30 N ATOM 1436 CZ ARG A 91 25.340 -5.639 -8.419 1.00 14.20 C ATOM 1437 NH1 ARG A 91 24.946 -5.303 -7.199 1.00 23.14 N1+ ATOM 1438 NH2 ARG A 91 25.427 -4.711 -9.364 1.00 53.22 N ATOM 0 H ARG A 91 21.851 -10.568 -7.344 1.00 15.25 H new ATOM 0 HA ARG A 91 23.348 -10.182 -8.941 1.00 70.02 H new ATOM 0 HB2 ARG A 91 24.728 -10.015 -6.589 1.00 62.21 H new ATOM 0 HB3 ARG A 91 25.661 -11.257 -7.400 1.00 62.21 H new ATOM 0 HG2 ARG A 91 26.761 -9.615 -8.462 1.00 12.45 H new ATOM 0 HG3 ARG A 91 25.299 -9.313 -9.380 1.00 12.45 H new ATOM 0 HD2 ARG A 91 24.635 -7.926 -7.178 1.00 14.35 H new ATOM 0 HD3 ARG A 91 26.375 -7.859 -6.981 1.00 14.35 H new ATOM 0 HE ARG A 91 25.953 -7.126 -9.644 1.00 23.30 H new ATOM 0 HH11 ARG A 91 24.880 -6.014 -6.470 1.00 23.14 H new ATOM 0 HH12 ARG A 91 24.709 -4.334 -6.989 1.00 23.14 H new ATOM 0 HH21 ARG A 91 25.732 -4.967 -10.303 1.00 53.22 H new ATOM 0 HH22 ARG A 91 25.189 -3.742 -9.151 1.00 53.22 H new ATOM 1452 N ILE A 92 23.028 -13.097 -9.104 1.00 11.40 N ATOM 1453 CA ILE A 92 23.191 -14.357 -9.819 1.00 2.54 C ATOM 1454 C ILE A 92 22.615 -14.267 -11.228 1.00 70.22 C ATOM 1455 O ILE A 92 21.486 -13.814 -11.421 1.00 52.22 O ATOM 1456 CB ILE A 92 22.512 -15.520 -9.072 1.00 34.23 C ATOM 1457 CG1 ILE A 92 23.093 -15.658 -7.663 1.00 72.20 C ATOM 1458 CG2 ILE A 92 22.680 -16.818 -9.849 1.00 4.21 C ATOM 1459 CD1 ILE A 92 22.465 -16.773 -6.858 1.00 63.13 C ATOM 0 H ILE A 92 22.107 -12.965 -8.687 1.00 11.40 H new ATOM 0 HA ILE A 92 24.262 -14.551 -9.878 1.00 2.54 H new ATOM 0 HB ILE A 92 21.447 -15.305 -8.986 1.00 34.23 H new ATOM 0 HG12 ILE A 92 24.166 -15.834 -7.737 1.00 72.20 H new ATOM 0 HG13 ILE A 92 22.960 -14.717 -7.130 1.00 72.20 H new ATOM 0 HG21 ILE A 92 22.195 -17.631 -9.309 1.00 4.21 H new ATOM 0 HG22 ILE A 92 22.224 -16.714 -10.834 1.00 4.21 H new ATOM 0 HG23 ILE A 92 23.741 -17.040 -9.962 1.00 4.21 H new ATOM 0 HD11 ILE A 92 22.925 -16.813 -5.871 1.00 63.13 H new ATOM 0 HD12 ILE A 92 21.396 -16.588 -6.753 1.00 63.13 H new ATOM 0 HD13 ILE A 92 22.621 -17.723 -7.369 1.00 63.13 H new ATOM 1471 N ASP A 93 23.397 -14.703 -12.209 1.00 21.02 N ATOM 1472 CA ASP A 93 22.964 -14.674 -13.602 1.00 63.30 C ATOM 1473 C ASP A 93 22.990 -16.074 -14.207 1.00 73.10 C ATOM 1474 O ASP A 93 23.823 -16.377 -15.061 1.00 13.01 O ATOM 1475 CB ASP A 93 23.855 -13.736 -14.417 1.00 62.12 C ATOM 1476 CG ASP A 93 25.331 -13.972 -14.161 1.00 25.40 C ATOM 1477 OD1 ASP A 93 25.863 -13.402 -13.187 1.00 55.01 O ATOM 1478 OD2 ASP A 93 25.953 -14.729 -14.936 1.00 2.11 O1- ATOM 0 H ASP A 93 24.334 -15.081 -12.066 1.00 21.02 H new ATOM 0 HA ASP A 93 21.939 -14.303 -13.631 1.00 63.30 H new ATOM 0 HB2 ASP A 93 23.647 -13.873 -15.478 1.00 62.12 H new ATOM 0 HB3 ASP A 93 23.608 -12.703 -14.174 1.00 62.12 H new ATOM 1483 N VAL A 94 22.072 -16.925 -13.759 1.00 64.02 N ATOM 1484 CA VAL A 94 21.989 -18.293 -14.257 1.00 11.12 C ATOM 1485 C VAL A 94 21.379 -18.334 -15.653 1.00 34.12 C ATOM 1486 O VAL A 94 20.885 -17.325 -16.157 1.00 53.11 O ATOM 1487 CB VAL A 94 21.154 -19.183 -13.317 1.00 43.12 C ATOM 1488 CG1 VAL A 94 21.787 -19.244 -11.935 1.00 35.23 C ATOM 1489 CG2 VAL A 94 19.723 -18.673 -13.234 1.00 3.23 C ATOM 0 H VAL A 94 21.375 -16.691 -13.052 1.00 64.02 H new ATOM 0 HA VAL A 94 23.008 -18.677 -14.298 1.00 11.12 H new ATOM 0 HB VAL A 94 21.134 -20.193 -13.725 1.00 43.12 H new ATOM 0 HG11 VAL A 94 21.183 -19.877 -11.286 1.00 35.23 H new ATOM 0 HG12 VAL A 94 22.792 -19.659 -12.013 1.00 35.23 H new ATOM 0 HG13 VAL A 94 21.841 -18.240 -11.515 1.00 35.23 H new ATOM 0 HG21 VAL A 94 19.147 -19.313 -12.566 1.00 3.23 H new ATOM 0 HG22 VAL A 94 19.722 -17.653 -12.850 1.00 3.23 H new ATOM 0 HG23 VAL A 94 19.274 -18.687 -14.227 1.00 3.23 H new ATOM 1499 N LYS A 95 21.417 -19.508 -16.275 1.00 54.23 N ATOM 1500 CA LYS A 95 20.866 -19.683 -17.613 1.00 75.41 C ATOM 1501 C LYS A 95 19.433 -20.201 -17.550 1.00 53.34 C ATOM 1502 O LYS A 95 18.587 -19.815 -18.356 1.00 13.00 O ATOM 1503 CB LYS A 95 21.734 -20.651 -18.422 1.00 41.22 C ATOM 1504 CG LYS A 95 23.082 -20.074 -18.819 1.00 65.40 C ATOM 1505 CD LYS A 95 24.043 -21.160 -19.269 1.00 33.10 C ATOM 1506 CE LYS A 95 25.028 -21.524 -18.168 1.00 41.31 C ATOM 1507 NZ LYS A 95 26.004 -20.429 -17.914 1.00 75.02 N1+ ATOM 0 H LYS A 95 21.824 -20.353 -15.873 1.00 54.23 H new ATOM 0 HA LYS A 95 20.860 -18.710 -18.105 1.00 75.41 H new ATOM 0 HB2 LYS A 95 21.894 -21.557 -17.838 1.00 41.22 H new ATOM 0 HB3 LYS A 95 21.194 -20.944 -19.323 1.00 41.22 H new ATOM 0 HG2 LYS A 95 22.946 -19.351 -19.623 1.00 65.40 H new ATOM 0 HG3 LYS A 95 23.511 -19.535 -17.974 1.00 65.40 H new ATOM 0 HD2 LYS A 95 23.480 -22.046 -19.563 1.00 33.10 H new ATOM 0 HD3 LYS A 95 24.589 -20.822 -20.150 1.00 33.10 H new ATOM 0 HE2 LYS A 95 24.482 -21.744 -17.251 1.00 41.31 H new ATOM 0 HE3 LYS A 95 25.564 -22.431 -18.446 1.00 41.31 H new ATOM 0 HZ1 LYS A 95 26.846 -20.817 -17.444 1.00 75.02 H new ATOM 0 HZ2 LYS A 95 26.281 -19.995 -18.817 1.00 75.02 H new ATOM 0 HZ3 LYS A 95 25.567 -19.709 -17.303 1.00 75.02 H new ATOM 1521 N ASP A 96 19.168 -21.075 -16.584 1.00 32.44 N ATOM 1522 CA ASP A 96 17.836 -21.643 -16.413 1.00 11.13 C ATOM 1523 C ASP A 96 17.465 -21.722 -14.935 1.00 62.15 C ATOM 1524 O ASP A 96 18.222 -21.283 -14.068 1.00 25.44 O ATOM 1525 CB ASP A 96 17.768 -23.035 -17.044 1.00 65.24 C ATOM 1526 CG ASP A 96 18.947 -23.905 -16.655 1.00 23.44 C ATOM 1527 OD1 ASP A 96 19.213 -24.038 -15.443 1.00 53.21 O ATOM 1528 OD2 ASP A 96 19.603 -24.455 -17.565 1.00 4.35 O1- ATOM 0 H ASP A 96 19.857 -21.405 -15.909 1.00 32.44 H new ATOM 0 HA ASP A 96 17.121 -20.990 -16.914 1.00 11.13 H new ATOM 0 HB2 ASP A 96 16.843 -23.524 -16.739 1.00 65.24 H new ATOM 0 HB3 ASP A 96 17.734 -22.938 -18.129 1.00 65.24 H new ATOM 1533 N THR A 97 16.293 -22.284 -14.654 1.00 3.02 N ATOM 1534 CA THR A 97 15.820 -22.418 -13.281 1.00 34.44 C ATOM 1535 C THR A 97 16.600 -23.493 -12.534 1.00 10.33 C ATOM 1536 O THR A 97 16.724 -23.447 -11.309 1.00 25.34 O ATOM 1537 CB THR A 97 14.319 -22.764 -13.236 1.00 52.20 C ATOM 1538 OG1 THR A 97 13.563 -21.750 -13.906 1.00 22.33 O ATOM 1539 CG2 THR A 97 13.838 -22.897 -11.799 1.00 11.20 C ATOM 0 H THR A 97 15.654 -22.653 -15.358 1.00 3.02 H new ATOM 0 HA THR A 97 15.978 -21.455 -12.796 1.00 34.44 H new ATOM 0 HB THR A 97 14.173 -23.719 -13.741 1.00 52.20 H new ATOM 0 HG1 THR A 97 13.026 -22.158 -14.617 1.00 22.33 H new ATOM 0 HG21 THR A 97 12.776 -23.141 -11.792 1.00 11.20 H new ATOM 0 HG22 THR A 97 14.396 -23.690 -11.300 1.00 11.20 H new ATOM 0 HG23 THR A 97 13.997 -21.955 -11.273 1.00 11.20 H new ATOM 1547 N LYS A 98 17.127 -24.460 -13.277 1.00 5.13 N ATOM 1548 CA LYS A 98 17.898 -25.547 -12.685 1.00 4.52 C ATOM 1549 C LYS A 98 19.156 -25.014 -12.006 1.00 12.22 C ATOM 1550 O LYS A 98 19.381 -25.254 -10.820 1.00 71.11 O ATOM 1551 CB LYS A 98 18.278 -26.572 -13.755 1.00 32.02 C ATOM 1552 CG LYS A 98 18.633 -27.937 -13.191 1.00 15.01 C ATOM 1553 CD LYS A 98 19.845 -28.531 -13.890 1.00 60.33 C ATOM 1554 CE LYS A 98 20.636 -29.437 -12.959 1.00 42.51 C ATOM 1555 NZ LYS A 98 21.095 -30.675 -13.647 1.00 34.34 N1+ ATOM 0 H LYS A 98 17.034 -24.513 -14.291 1.00 5.13 H new ATOM 0 HA LYS A 98 17.277 -26.032 -11.932 1.00 4.52 H new ATOM 0 HB2 LYS A 98 17.448 -26.681 -14.453 1.00 32.02 H new ATOM 0 HB3 LYS A 98 19.126 -26.192 -14.325 1.00 32.02 H new ATOM 0 HG2 LYS A 98 18.834 -27.849 -12.123 1.00 15.01 H new ATOM 0 HG3 LYS A 98 17.782 -28.610 -13.301 1.00 15.01 H new ATOM 0 HD2 LYS A 98 19.521 -29.098 -14.763 1.00 60.33 H new ATOM 0 HD3 LYS A 98 20.488 -27.728 -14.251 1.00 60.33 H new ATOM 0 HE2 LYS A 98 21.499 -28.895 -12.572 1.00 42.51 H new ATOM 0 HE3 LYS A 98 20.018 -29.706 -12.102 1.00 42.51 H new ATOM 0 HZ1 LYS A 98 21.630 -31.266 -12.979 1.00 34.34 H new ATOM 0 HZ2 LYS A 98 20.270 -31.205 -13.994 1.00 34.34 H new ATOM 0 HZ3 LYS A 98 21.706 -30.420 -14.449 1.00 34.34 H new ATOM 1569 N GLU A 99 19.971 -24.289 -12.765 1.00 72.30 N ATOM 1570 CA GLU A 99 21.206 -23.723 -12.236 1.00 45.25 C ATOM 1571 C GLU A 99 20.932 -22.901 -10.979 1.00 24.23 C ATOM 1572 O GLU A 99 21.650 -23.008 -9.986 1.00 55.13 O ATOM 1573 CB GLU A 99 21.887 -22.849 -13.291 1.00 51.41 C ATOM 1574 CG GLU A 99 23.287 -23.314 -13.655 1.00 72.34 C ATOM 1575 CD GLU A 99 23.280 -24.470 -14.636 1.00 71.22 C ATOM 1576 OE1 GLU A 99 23.153 -24.217 -15.852 1.00 42.11 O1- ATOM 1577 OE2 GLU A 99 23.403 -25.630 -14.187 1.00 1.23 O ATOM 0 H GLU A 99 19.798 -24.080 -13.748 1.00 72.30 H new ATOM 0 HA GLU A 99 21.870 -24.547 -11.974 1.00 45.25 H new ATOM 0 HB2 GLU A 99 21.272 -22.835 -14.191 1.00 51.41 H new ATOM 0 HB3 GLU A 99 21.938 -21.824 -12.924 1.00 51.41 H new ATOM 0 HG2 GLU A 99 23.842 -22.481 -14.085 1.00 72.34 H new ATOM 0 HG3 GLU A 99 23.813 -23.614 -12.749 1.00 72.34 H new ATOM 1584 N ALA A 100 19.888 -22.081 -11.032 1.00 2.41 N ATOM 1585 CA ALA A 100 19.518 -21.241 -9.899 1.00 62.12 C ATOM 1586 C ALA A 100 19.376 -22.069 -8.626 1.00 11.43 C ATOM 1587 O ALA A 100 19.744 -21.622 -7.539 1.00 52.21 O ATOM 1588 CB ALA A 100 18.223 -20.497 -10.194 1.00 71.43 C ATOM 0 H ALA A 100 19.283 -21.980 -11.847 1.00 2.41 H new ATOM 0 HA ALA A 100 20.314 -20.514 -9.742 1.00 62.12 H new ATOM 0 HB1 ALA A 100 17.959 -19.874 -9.340 1.00 71.43 H new ATOM 0 HB2 ALA A 100 18.357 -19.868 -11.074 1.00 71.43 H new ATOM 0 HB3 ALA A 100 17.425 -21.216 -10.380 1.00 71.43 H new ATOM 1594 N LEU A 101 18.840 -23.276 -8.767 1.00 74.42 N ATOM 1595 CA LEU A 101 18.650 -24.167 -7.627 1.00 31.53 C ATOM 1596 C LEU A 101 19.991 -24.650 -7.085 1.00 41.35 C ATOM 1597 O LEU A 101 20.214 -24.660 -5.873 1.00 4.13 O ATOM 1598 CB LEU A 101 17.788 -25.364 -8.030 1.00 72.31 C ATOM 1599 CG LEU A 101 16.482 -25.545 -7.254 1.00 15.45 C ATOM 1600 CD1 LEU A 101 16.760 -25.648 -5.761 1.00 21.05 C ATOM 1601 CD2 LEU A 101 15.529 -24.395 -7.542 1.00 5.13 C ATOM 0 H LEU A 101 18.529 -23.661 -9.659 1.00 74.42 H new ATOM 0 HA LEU A 101 18.141 -23.609 -6.841 1.00 31.53 H new ATOM 0 HB2 LEU A 101 17.548 -25.273 -9.089 1.00 72.31 H new ATOM 0 HB3 LEU A 101 18.384 -26.270 -7.915 1.00 72.31 H new ATOM 0 HG LEU A 101 16.011 -26.472 -7.581 1.00 15.45 H new ATOM 0 HD11 LEU A 101 15.820 -25.776 -5.224 1.00 21.05 H new ATOM 0 HD12 LEU A 101 17.407 -26.504 -5.570 1.00 21.05 H new ATOM 0 HD13 LEU A 101 17.252 -24.737 -5.419 1.00 21.05 H new ATOM 0 HD21 LEU A 101 14.605 -24.539 -6.982 1.00 5.13 H new ATOM 0 HD22 LEU A 101 15.992 -23.455 -7.242 1.00 5.13 H new ATOM 0 HD23 LEU A 101 15.306 -24.366 -8.609 1.00 5.13 H new ATOM 1613 N ASP A 102 20.880 -25.049 -7.987 1.00 42.35 N ATOM 1614 CA ASP A 102 22.200 -25.531 -7.599 1.00 50.21 C ATOM 1615 C ASP A 102 22.932 -24.491 -6.756 1.00 42.33 C ATOM 1616 O ASP A 102 23.665 -24.833 -5.827 1.00 43.30 O ATOM 1617 CB ASP A 102 23.027 -25.873 -8.839 1.00 51.13 C ATOM 1618 CG ASP A 102 24.232 -26.734 -8.513 1.00 42.51 C ATOM 1619 OD1 ASP A 102 24.134 -27.563 -7.583 1.00 75.01 O ATOM 1620 OD2 ASP A 102 25.271 -26.580 -9.187 1.00 52.42 O1- ATOM 0 H ASP A 102 20.710 -25.048 -8.993 1.00 42.35 H new ATOM 0 HA ASP A 102 22.069 -26.432 -7.000 1.00 50.21 H new ATOM 0 HB2 ASP A 102 22.397 -26.394 -9.560 1.00 51.13 H new ATOM 0 HB3 ASP A 102 23.361 -24.951 -9.315 1.00 51.13 H new ATOM 1625 N LYS A 103 22.728 -23.220 -7.085 1.00 22.25 N ATOM 1626 CA LYS A 103 23.367 -22.129 -6.359 1.00 35.23 C ATOM 1627 C LYS A 103 22.788 -21.997 -4.954 1.00 21.42 C ATOM 1628 O LYS A 103 23.527 -21.923 -3.972 1.00 73.35 O ATOM 1629 CB LYS A 103 23.194 -20.812 -7.120 1.00 72.24 C ATOM 1630 CG LYS A 103 24.508 -20.155 -7.505 1.00 43.23 C ATOM 1631 CD LYS A 103 24.888 -20.470 -8.942 1.00 13.22 C ATOM 1632 CE LYS A 103 26.358 -20.173 -9.207 1.00 65.52 C ATOM 1633 NZ LYS A 103 26.574 -19.624 -10.574 1.00 13.01 N1+ ATOM 0 H LYS A 103 22.124 -22.920 -7.851 1.00 22.25 H new ATOM 0 HA LYS A 103 24.430 -22.356 -6.275 1.00 35.23 H new ATOM 0 HB2 LYS A 103 22.612 -20.997 -8.023 1.00 72.24 H new ATOM 0 HB3 LYS A 103 22.618 -20.120 -6.506 1.00 72.24 H new ATOM 0 HG2 LYS A 103 24.427 -19.076 -7.377 1.00 43.23 H new ATOM 0 HG3 LYS A 103 25.297 -20.497 -6.835 1.00 43.23 H new ATOM 0 HD2 LYS A 103 24.684 -21.520 -9.152 1.00 13.22 H new ATOM 0 HD3 LYS A 103 24.269 -19.883 -9.620 1.00 13.22 H new ATOM 0 HE2 LYS A 103 26.724 -19.461 -8.467 1.00 65.52 H new ATOM 0 HE3 LYS A 103 26.941 -21.086 -9.086 1.00 65.52 H new ATOM 0 HZ1 LYS A 103 27.587 -19.435 -10.716 1.00 13.01 H new ATOM 0 HZ2 LYS A 103 26.248 -20.314 -11.281 1.00 13.01 H new ATOM 0 HZ3 LYS A 103 26.038 -18.739 -10.681 1.00 13.01 H new ATOM 1647 N ILE A 104 21.462 -21.969 -4.867 1.00 1.12 N ATOM 1648 CA ILE A 104 20.784 -21.848 -3.582 1.00 32.22 C ATOM 1649 C ILE A 104 21.032 -23.076 -2.713 1.00 65.00 C ATOM 1650 O ILE A 104 21.000 -22.996 -1.486 1.00 73.44 O ATOM 1651 CB ILE A 104 19.267 -21.657 -3.762 1.00 43.31 C ATOM 1652 CG1 ILE A 104 18.985 -20.421 -4.619 1.00 61.11 C ATOM 1653 CG2 ILE A 104 18.584 -21.535 -2.408 1.00 12.00 C ATOM 1654 CD1 ILE A 104 17.556 -20.339 -5.109 1.00 51.32 C ATOM 0 H ILE A 104 20.836 -22.028 -5.670 1.00 1.12 H new ATOM 0 HA ILE A 104 21.196 -20.968 -3.089 1.00 32.22 H new ATOM 0 HB ILE A 104 18.864 -22.531 -4.273 1.00 43.31 H new ATOM 0 HG12 ILE A 104 19.214 -19.527 -4.039 1.00 61.11 H new ATOM 0 HG13 ILE A 104 19.656 -20.424 -5.478 1.00 61.11 H new ATOM 0 HG21 ILE A 104 17.512 -21.400 -2.552 1.00 12.00 H new ATOM 0 HG22 ILE A 104 18.761 -22.441 -1.828 1.00 12.00 H new ATOM 0 HG23 ILE A 104 18.989 -20.676 -1.872 1.00 12.00 H new ATOM 0 HD11 ILE A 104 17.428 -19.438 -5.710 1.00 51.32 H new ATOM 0 HD12 ILE A 104 17.329 -21.215 -5.716 1.00 51.32 H new ATOM 0 HD13 ILE A 104 16.880 -20.304 -4.255 1.00 51.32 H new ATOM 1666 N GLU A 105 21.278 -24.212 -3.359 1.00 2.52 N ATOM 1667 CA GLU A 105 21.531 -25.457 -2.645 1.00 51.41 C ATOM 1668 C GLU A 105 22.933 -25.464 -2.044 1.00 53.25 C ATOM 1669 O GLU A 105 23.142 -25.955 -0.936 1.00 54.44 O ATOM 1670 CB GLU A 105 21.360 -26.653 -3.583 1.00 54.14 C ATOM 1671 CG GLU A 105 21.754 -27.980 -2.956 1.00 40.34 C ATOM 1672 CD GLU A 105 20.751 -29.081 -3.240 1.00 22.32 C ATOM 1673 OE1 GLU A 105 20.842 -29.699 -4.322 1.00 22.43 O ATOM 1674 OE2 GLU A 105 19.876 -29.324 -2.384 1.00 53.25 O1- ATOM 0 H GLU A 105 21.307 -24.295 -4.375 1.00 2.52 H new ATOM 0 HA GLU A 105 20.807 -25.534 -1.834 1.00 51.41 H new ATOM 0 HB2 GLU A 105 20.320 -26.707 -3.903 1.00 54.14 H new ATOM 0 HB3 GLU A 105 21.961 -26.491 -4.478 1.00 54.14 H new ATOM 0 HG2 GLU A 105 22.732 -28.279 -3.333 1.00 40.34 H new ATOM 0 HG3 GLU A 105 21.853 -27.853 -1.878 1.00 40.34 H new ATOM 1681 N GLU A 106 23.891 -24.916 -2.785 1.00 41.13 N ATOM 1682 CA GLU A 106 25.275 -24.861 -2.326 1.00 4.25 C ATOM 1683 C GLU A 106 25.414 -23.922 -1.132 1.00 52.44 C ATOM 1684 O GLU A 106 26.229 -24.154 -0.239 1.00 65.34 O ATOM 1685 CB GLU A 106 26.193 -24.399 -3.460 1.00 73.32 C ATOM 1686 CG GLU A 106 26.727 -25.540 -4.312 1.00 51.43 C ATOM 1687 CD GLU A 106 26.789 -25.188 -5.785 1.00 41.21 C ATOM 1688 OE1 GLU A 106 27.191 -24.050 -6.108 1.00 13.41 O1- ATOM 1689 OE2 GLU A 106 26.437 -26.051 -6.616 1.00 44.30 O ATOM 0 H GLU A 106 23.735 -24.504 -3.705 1.00 41.13 H new ATOM 0 HA GLU A 106 25.568 -25.864 -2.015 1.00 4.25 H new ATOM 0 HB2 GLU A 106 25.647 -23.704 -4.098 1.00 73.32 H new ATOM 0 HB3 GLU A 106 27.033 -23.849 -3.036 1.00 73.32 H new ATOM 0 HG2 GLU A 106 27.724 -25.812 -3.965 1.00 51.43 H new ATOM 0 HG3 GLU A 106 26.093 -26.416 -4.178 1.00 51.43 H new ATOM 1696 N GLU A 107 24.614 -22.860 -1.123 1.00 62.33 N ATOM 1697 CA GLU A 107 24.649 -21.886 -0.038 1.00 64.54 C ATOM 1698 C GLU A 107 24.166 -22.509 1.268 1.00 65.32 C ATOM 1699 O GLU A 107 24.551 -22.075 2.353 1.00 61.22 O ATOM 1700 CB GLU A 107 23.787 -20.671 -0.387 1.00 64.44 C ATOM 1701 CG GLU A 107 24.586 -19.485 -0.897 1.00 1.35 C ATOM 1702 CD GLU A 107 23.707 -18.402 -1.493 1.00 32.04 C ATOM 1703 OE1 GLU A 107 22.514 -18.675 -1.740 1.00 5.03 O1- ATOM 1704 OE2 GLU A 107 24.213 -17.281 -1.714 1.00 41.34 O ATOM 0 H GLU A 107 23.934 -22.652 -1.854 1.00 62.33 H new ATOM 0 HA GLU A 107 25.682 -21.564 0.094 1.00 64.54 H new ATOM 0 HB2 GLU A 107 23.057 -20.959 -1.144 1.00 64.44 H new ATOM 0 HB3 GLU A 107 23.227 -20.368 0.497 1.00 64.44 H new ATOM 0 HG2 GLU A 107 25.169 -19.065 -0.077 1.00 1.35 H new ATOM 0 HG3 GLU A 107 25.296 -19.827 -1.650 1.00 1.35 H new ATOM 1711 N GLN A 108 23.319 -23.527 1.154 1.00 60.45 N ATOM 1712 CA GLN A 108 22.782 -24.209 2.326 1.00 51.31 C ATOM 1713 C GLN A 108 23.740 -25.290 2.813 1.00 50.04 C ATOM 1714 O GLN A 108 23.889 -25.506 4.015 1.00 60.13 O ATOM 1715 CB GLN A 108 21.419 -24.824 2.004 1.00 0.31 C ATOM 1716 CG GLN A 108 20.362 -24.548 3.062 1.00 32.21 C ATOM 1717 CD GLN A 108 20.048 -23.072 3.202 1.00 34.31 C ATOM 1718 OE1 GLN A 108 19.798 -22.382 2.213 1.00 61.33 O ATOM 1719 NE2 GLN A 108 20.058 -22.578 4.434 1.00 60.04 N ATOM 0 H GLN A 108 22.990 -23.898 0.263 1.00 60.45 H new ATOM 0 HA GLN A 108 22.661 -23.473 3.121 1.00 51.31 H new ATOM 0 HB2 GLN A 108 21.072 -24.437 1.046 1.00 0.31 H new ATOM 0 HB3 GLN A 108 21.534 -25.902 1.889 1.00 0.31 H new ATOM 0 HG2 GLN A 108 19.449 -25.087 2.808 1.00 32.21 H new ATOM 0 HG3 GLN A 108 20.704 -24.935 4.022 1.00 32.21 H new ATOM 0 HE21 GLN A 108 20.270 -23.186 5.225 1.00 60.04 H new ATOM 0 HE22 GLN A 108 19.853 -21.591 4.589 1.00 60.04 H new ATOM 1728 N ASN A 109 24.387 -25.969 1.871 1.00 61.11 N ATOM 1729 CA ASN A 109 25.330 -27.030 2.205 1.00 74.00 C ATOM 1730 C ASN A 109 26.498 -26.484 3.021 1.00 23.14 C ATOM 1731 O ASN A 109 26.961 -27.120 3.968 1.00 63.30 O ATOM 1732 CB ASN A 109 25.851 -27.697 0.931 1.00 32.34 C ATOM 1733 CG ASN A 109 26.570 -29.002 1.213 1.00 54.22 C ATOM 1734 OD1 ASN A 109 26.734 -29.395 2.368 1.00 73.21 O ATOM 1735 ND2 ASN A 109 27.004 -29.679 0.156 1.00 13.20 N ATOM 0 H ASN A 109 24.275 -25.803 0.871 1.00 61.11 H new ATOM 0 HA ASN A 109 24.805 -27.772 2.807 1.00 74.00 H new ATOM 0 HB2 ASN A 109 25.017 -27.884 0.255 1.00 32.34 H new ATOM 0 HB3 ASN A 109 26.530 -27.015 0.419 1.00 32.34 H new ATOM 0 HD21 ASN A 109 27.496 -30.563 0.284 1.00 13.20 H new ATOM 0 HD22 ASN A 109 26.845 -29.315 -0.783 1.00 13.20 H new ATOM 1742 N LYS A 110 26.971 -25.299 2.646 1.00 24.41 N ATOM 1743 CA LYS A 110 28.083 -24.664 3.342 1.00 44.42 C ATOM 1744 C LYS A 110 27.728 -24.394 4.801 1.00 73.42 C ATOM 1745 O LYS A 110 28.549 -24.594 5.696 1.00 50.25 O ATOM 1746 CB LYS A 110 28.465 -23.354 2.648 1.00 74.12 C ATOM 1747 CG LYS A 110 29.758 -22.747 3.165 1.00 23.40 C ATOM 1748 CD LYS A 110 29.761 -21.235 3.019 1.00 23.21 C ATOM 1749 CE LYS A 110 30.311 -20.807 1.667 1.00 21.34 C ATOM 1750 NZ LYS A 110 30.237 -19.331 1.481 1.00 13.32 N1+ ATOM 0 H LYS A 110 26.601 -24.760 1.863 1.00 24.41 H new ATOM 0 HA LYS A 110 28.934 -25.345 3.313 1.00 44.42 H new ATOM 0 HB2 LYS A 110 28.561 -23.534 1.577 1.00 74.12 H new ATOM 0 HB3 LYS A 110 27.657 -22.634 2.779 1.00 74.12 H new ATOM 0 HG2 LYS A 110 29.892 -23.013 4.214 1.00 23.40 H new ATOM 0 HG3 LYS A 110 30.602 -23.168 2.619 1.00 23.40 H new ATOM 0 HD2 LYS A 110 28.746 -20.855 3.137 1.00 23.21 H new ATOM 0 HD3 LYS A 110 30.362 -20.793 3.814 1.00 23.21 H new ATOM 0 HE2 LYS A 110 31.347 -21.133 1.577 1.00 21.34 H new ATOM 0 HE3 LYS A 110 29.751 -21.302 0.874 1.00 21.34 H new ATOM 0 HZ1 LYS A 110 30.621 -19.079 0.548 1.00 13.32 H new ATOM 0 HZ2 LYS A 110 29.246 -19.023 1.542 1.00 13.32 H new ATOM 0 HZ3 LYS A 110 30.793 -18.859 2.223 1.00 13.32 H new ATOM 1764 N SER A 111 26.501 -23.940 5.033 1.00 70.33 N ATOM 1765 CA SER A 111 26.039 -23.640 6.383 1.00 52.32 C ATOM 1766 C SER A 111 25.820 -24.924 7.180 1.00 3.33 C ATOM 1767 O SER A 111 26.094 -24.979 8.378 1.00 73.13 O ATOM 1768 CB SER A 111 24.742 -22.829 6.334 1.00 33.11 C ATOM 1769 OG SER A 111 23.990 -22.997 7.523 1.00 33.31 O ATOM 0 H SER A 111 25.808 -23.772 4.303 1.00 70.33 H new ATOM 0 HA SER A 111 26.809 -23.050 6.881 1.00 52.32 H new ATOM 0 HB2 SER A 111 24.975 -21.773 6.193 1.00 33.11 H new ATOM 0 HB3 SER A 111 24.146 -23.141 5.476 1.00 33.11 H new ATOM 0 HG SER A 111 23.167 -22.468 7.467 1.00 33.31 H new ATOM 1775 N LYS A 112 25.323 -25.954 6.503 1.00 43.55 N ATOM 1776 CA LYS A 112 25.066 -27.238 7.145 1.00 12.40 C ATOM 1777 C LYS A 112 26.359 -27.851 7.671 1.00 32.14 C ATOM 1778 O LYS A 112 26.362 -28.545 8.688 1.00 41.22 O ATOM 1779 CB LYS A 112 24.397 -28.199 6.160 1.00 62.10 C ATOM 1780 CG LYS A 112 22.918 -28.415 6.429 1.00 10.53 C ATOM 1781 CD LYS A 112 22.682 -29.641 7.294 1.00 62.30 C ATOM 1782 CE LYS A 112 22.238 -30.833 6.460 1.00 50.35 C ATOM 1783 NZ LYS A 112 23.388 -31.502 5.792 1.00 51.14 N1+ ATOM 0 H LYS A 112 25.090 -25.925 5.510 1.00 43.55 H new ATOM 0 HA LYS A 112 24.396 -27.067 7.988 1.00 12.40 H new ATOM 0 HB2 LYS A 112 24.521 -27.813 5.148 1.00 62.10 H new ATOM 0 HB3 LYS A 112 24.909 -29.161 6.199 1.00 62.10 H new ATOM 0 HG2 LYS A 112 22.505 -27.535 6.923 1.00 10.53 H new ATOM 0 HG3 LYS A 112 22.388 -28.528 5.483 1.00 10.53 H new ATOM 0 HD2 LYS A 112 23.597 -29.891 7.830 1.00 62.30 H new ATOM 0 HD3 LYS A 112 21.924 -29.418 8.045 1.00 62.30 H new ATOM 0 HE2 LYS A 112 21.721 -31.550 7.098 1.00 50.35 H new ATOM 0 HE3 LYS A 112 21.523 -30.503 5.707 1.00 50.35 H new ATOM 0 HZ1 LYS A 112 23.044 -32.309 5.234 1.00 51.14 H new ATOM 0 HZ2 LYS A 112 23.866 -30.825 5.164 1.00 51.14 H new ATOM 0 HZ3 LYS A 112 24.059 -31.840 6.511 1.00 51.14 H new ATOM 1797 N LYS A 113 27.459 -27.591 6.972 1.00 3.23 N ATOM 1798 CA LYS A 113 28.760 -28.115 7.369 1.00 14.41 C ATOM 1799 C LYS A 113 29.239 -27.461 8.662 1.00 71.42 C ATOM 1800 O LYS A 113 30.007 -28.052 9.422 1.00 34.14 O ATOM 1801 CB LYS A 113 29.787 -27.882 6.258 1.00 72.25 C ATOM 1802 CG LYS A 113 31.179 -28.388 6.600 1.00 42.21 C ATOM 1803 CD LYS A 113 31.896 -28.920 5.371 1.00 51.11 C ATOM 1804 CE LYS A 113 33.244 -28.244 5.177 1.00 12.54 C ATOM 1805 NZ LYS A 113 33.122 -26.973 4.408 1.00 41.43 N1+ ATOM 0 H LYS A 113 27.475 -27.020 6.127 1.00 3.23 H new ATOM 0 HA LYS A 113 28.655 -29.186 7.541 1.00 14.41 H new ATOM 0 HB2 LYS A 113 29.444 -28.375 5.348 1.00 72.25 H new ATOM 0 HB3 LYS A 113 29.840 -26.815 6.042 1.00 72.25 H new ATOM 0 HG2 LYS A 113 31.763 -27.580 7.042 1.00 42.21 H new ATOM 0 HG3 LYS A 113 31.107 -29.176 7.350 1.00 42.21 H new ATOM 0 HD2 LYS A 113 32.038 -29.996 5.469 1.00 51.11 H new ATOM 0 HD3 LYS A 113 31.277 -28.759 4.489 1.00 51.11 H new ATOM 0 HE2 LYS A 113 33.691 -28.038 6.150 1.00 12.54 H new ATOM 0 HE3 LYS A 113 33.918 -28.922 4.654 1.00 12.54 H new ATOM 0 HZ1 LYS A 113 34.062 -26.543 4.297 1.00 41.43 H new ATOM 0 HZ2 LYS A 113 32.719 -27.172 3.470 1.00 41.43 H new ATOM 0 HZ3 LYS A 113 32.499 -26.316 4.920 1.00 41.43 H new ATOM 1819 N LYS A 114 28.779 -26.239 8.907 1.00 11.30 N ATOM 1820 CA LYS A 114 29.157 -25.505 10.109 1.00 43.12 C ATOM 1821 C LYS A 114 28.056 -25.583 11.163 1.00 20.54 C ATOM 1822 O LYS A 114 27.916 -24.688 11.994 1.00 0.22 O ATOM 1823 CB LYS A 114 29.449 -24.042 9.768 1.00 24.21 C ATOM 1824 CG LYS A 114 30.683 -23.854 8.904 1.00 60.00 C ATOM 1825 CD LYS A 114 30.975 -22.382 8.662 1.00 74.43 C ATOM 1826 CE LYS A 114 32.322 -22.186 7.981 1.00 25.13 C ATOM 1827 NZ LYS A 114 32.658 -20.744 7.822 1.00 43.11 N1+ ATOM 0 H LYS A 114 28.143 -25.735 8.288 1.00 11.30 H new ATOM 0 HA LYS A 114 30.058 -25.963 10.516 1.00 43.12 H new ATOM 0 HB2 LYS A 114 28.587 -23.619 9.253 1.00 24.21 H new ATOM 0 HB3 LYS A 114 29.575 -23.480 10.693 1.00 24.21 H new ATOM 0 HG2 LYS A 114 31.541 -24.322 9.387 1.00 60.00 H new ATOM 0 HG3 LYS A 114 30.540 -24.359 7.949 1.00 60.00 H new ATOM 0 HD2 LYS A 114 30.187 -21.950 8.044 1.00 74.43 H new ATOM 0 HD3 LYS A 114 30.965 -21.847 9.612 1.00 74.43 H new ATOM 0 HE2 LYS A 114 33.100 -22.678 8.566 1.00 25.13 H new ATOM 0 HE3 LYS A 114 32.307 -22.666 7.002 1.00 25.13 H new ATOM 0 HZ1 LYS A 114 33.582 -20.652 7.354 1.00 43.11 H new ATOM 0 HZ2 LYS A 114 31.930 -20.280 7.243 1.00 43.11 H new ATOM 0 HZ3 LYS A 114 32.697 -20.291 8.758 1.00 43.11 H new ATOM 1841 N ALA A 115 27.278 -26.660 11.121 1.00 20.25 N ATOM 1842 CA ALA A 115 26.193 -26.855 12.074 1.00 73.55 C ATOM 1843 C ALA A 115 25.952 -28.339 12.334 1.00 51.31 C ATOM 1844 O ALA A 115 24.830 -28.753 12.622 1.00 4.44 O ATOM 1845 CB ALA A 115 24.920 -26.193 11.567 1.00 33.31 C ATOM 0 H ALA A 115 27.379 -27.410 10.437 1.00 20.25 H new ATOM 0 HA ALA A 115 26.481 -26.389 13.016 1.00 73.55 H new ATOM 0 HB1 ALA A 115 24.118 -26.347 12.289 1.00 33.31 H new ATOM 0 HB2 ALA A 115 25.092 -25.124 11.438 1.00 33.31 H new ATOM 0 HB3 ALA A 115 24.637 -26.633 10.611 1.00 33.31 H new ATOM 1851 N GLN A 116 27.013 -29.133 12.231 1.00 5.44 N ATOM 1852 CA GLN A 116 26.915 -30.570 12.455 1.00 34.34 C ATOM 1853 C GLN A 116 26.495 -30.870 13.890 1.00 54.31 C ATOM 1854 O GLN A 116 25.746 -31.813 14.142 1.00 51.42 O ATOM 1855 CB GLN A 116 28.253 -31.247 12.150 1.00 63.11 C ATOM 1856 CG GLN A 116 28.109 -32.664 11.618 1.00 74.34 C ATOM 1857 CD GLN A 116 27.887 -33.681 12.721 1.00 22.11 C ATOM 1858 OE1 GLN A 116 28.547 -33.644 13.759 1.00 2.15 O ATOM 1859 NE2 GLN A 116 26.952 -34.598 12.500 1.00 65.32 N ATOM 0 H GLN A 116 27.949 -28.806 11.994 1.00 5.44 H new ATOM 0 HA GLN A 116 26.154 -30.966 11.783 1.00 34.34 H new ATOM 0 HB2 GLN A 116 28.797 -30.647 11.420 1.00 63.11 H new ATOM 0 HB3 GLN A 116 28.856 -31.268 13.058 1.00 63.11 H new ATOM 0 HG2 GLN A 116 27.273 -32.703 10.919 1.00 74.34 H new ATOM 0 HG3 GLN A 116 29.005 -32.931 11.058 1.00 74.34 H new ATOM 0 HE21 GLN A 116 26.428 -34.592 11.625 1.00 65.32 H new ATOM 0 HE22 GLN A 116 26.758 -35.309 13.206 1.00 65.32 H new ATOM 1868 N GLN A 117 26.985 -30.063 14.825 1.00 41.13 N ATOM 1869 CA GLN A 117 26.662 -30.244 16.236 1.00 63.21 C ATOM 1870 C GLN A 117 25.152 -30.308 16.443 1.00 42.34 C ATOM 1871 O GLN A 117 24.662 -31.062 17.284 1.00 72.42 O ATOM 1872 CB GLN A 117 27.255 -29.106 17.068 1.00 30.24 C ATOM 1873 CG GLN A 117 28.338 -29.558 18.034 1.00 22.51 C ATOM 1874 CD GLN A 117 27.772 -30.175 19.297 1.00 2.33 C ATOM 1875 OE1 GLN A 117 26.769 -29.705 19.836 1.00 53.34 O ATOM 1876 NE2 GLN A 117 28.413 -31.234 19.778 1.00 21.44 N ATOM 0 H GLN A 117 27.607 -29.278 14.632 1.00 41.13 H new ATOM 0 HA GLN A 117 27.097 -31.188 16.564 1.00 63.21 H new ATOM 0 HB2 GLN A 117 27.670 -28.354 16.396 1.00 30.24 H new ATOM 0 HB3 GLN A 117 26.456 -28.624 17.631 1.00 30.24 H new ATOM 0 HG2 GLN A 117 28.983 -30.283 17.537 1.00 22.51 H new ATOM 0 HG3 GLN A 117 28.962 -28.705 18.299 1.00 22.51 H new ATOM 0 HE21 GLN A 117 29.240 -31.590 19.299 1.00 21.44 H new ATOM 0 HE22 GLN A 117 28.078 -31.691 20.626 1.00 21.44 H new ATOM 1885 N ALA A 118 24.419 -29.511 15.673 1.00 32.42 N ATOM 1886 CA ALA A 118 22.965 -29.479 15.771 1.00 61.23 C ATOM 1887 C ALA A 118 22.354 -30.804 15.327 1.00 75.13 C ATOM 1888 O ALA A 118 21.447 -31.328 15.973 1.00 14.22 O ATOM 1889 CB ALA A 118 22.405 -28.333 14.941 1.00 61.45 C ATOM 0 H ALA A 118 24.808 -28.878 14.974 1.00 32.42 H new ATOM 0 HA ALA A 118 22.700 -29.320 16.816 1.00 61.23 H new ATOM 0 HB1 ALA A 118 21.318 -28.321 15.023 1.00 61.45 H new ATOM 0 HB2 ALA A 118 22.807 -27.388 15.307 1.00 61.45 H new ATOM 0 HB3 ALA A 118 22.688 -28.468 13.897 1.00 61.45 H new ATOM 1895 N ALA A 119 22.859 -31.342 14.221 1.00 1.31 N ATOM 1896 CA ALA A 119 22.364 -32.606 13.692 1.00 73.10 C ATOM 1897 C ALA A 119 22.415 -33.702 14.752 1.00 24.13 C ATOM 1898 O ALA A 119 21.575 -34.601 14.768 1.00 53.14 O ATOM 1899 CB ALA A 119 23.167 -33.016 12.467 1.00 54.52 C ATOM 0 H ALA A 119 23.611 -30.921 13.675 1.00 1.31 H new ATOM 0 HA ALA A 119 21.323 -32.467 13.400 1.00 73.10 H new ATOM 0 HB1 ALA A 119 22.786 -33.962 12.082 1.00 54.52 H new ATOM 0 HB2 ALA A 119 23.075 -32.249 11.698 1.00 54.52 H new ATOM 0 HB3 ALA A 119 24.216 -33.132 12.741 1.00 54.52 H new ATOM 1905 N ALA A 120 23.405 -33.620 15.634 1.00 41.13 N ATOM 1906 CA ALA A 120 23.563 -34.604 16.697 1.00 14.41 C ATOM 1907 C ALA A 120 23.216 -34.005 18.056 1.00 14.20 C ATOM 1908 O ALA A 120 23.893 -34.263 19.051 1.00 15.25 O ATOM 1909 CB ALA A 120 24.985 -35.146 16.706 1.00 33.01 C ATOM 0 H ALA A 120 24.110 -32.882 15.633 1.00 41.13 H new ATOM 0 HA ALA A 120 22.873 -35.425 16.504 1.00 14.41 H new ATOM 0 HB1 ALA A 120 25.090 -35.880 17.505 1.00 33.01 H new ATOM 0 HB2 ALA A 120 25.200 -35.619 15.748 1.00 33.01 H new ATOM 0 HB3 ALA A 120 25.685 -34.327 16.872 1.00 33.01 H new ATOM 1915 N ASP A 121 22.157 -33.204 18.090 1.00 43.13 N ATOM 1916 CA ASP A 121 21.719 -32.567 19.328 1.00 75.43 C ATOM 1917 C ASP A 121 20.264 -32.123 19.224 1.00 23.12 C ATOM 1918 O ASP A 121 19.874 -31.098 19.786 1.00 42.25 O ATOM 1919 CB ASP A 121 22.610 -31.368 19.653 1.00 12.22 C ATOM 1920 CG ASP A 121 22.654 -31.065 21.138 1.00 63.02 C ATOM 1921 OD1 ASP A 121 21.731 -31.498 21.859 1.00 41.23 O ATOM 1922 OD2 ASP A 121 23.612 -30.396 21.578 1.00 44.42 O1- ATOM 0 H ASP A 121 21.586 -32.980 17.275 1.00 43.13 H new ATOM 0 HA ASP A 121 21.801 -33.298 20.133 1.00 75.43 H new ATOM 0 HB2 ASP A 121 23.621 -31.563 19.295 1.00 12.22 H new ATOM 0 HB3 ASP A 121 22.245 -30.492 19.117 1.00 12.22 H new ATOM 1927 N THR A 122 19.463 -32.900 18.501 1.00 23.02 N ATOM 1928 CA THR A 122 18.051 -32.585 18.322 1.00 32.35 C ATOM 1929 C THR A 122 17.210 -33.854 18.244 1.00 34.12 C ATOM 1930 O THR A 122 17.708 -34.918 17.880 1.00 41.23 O ATOM 1931 CB THR A 122 17.819 -31.750 17.047 1.00 41.44 C ATOM 1932 OG1 THR A 122 18.547 -32.316 15.952 1.00 24.01 O ATOM 1933 CG2 THR A 122 18.252 -30.307 17.260 1.00 35.44 C ATOM 0 H THR A 122 19.768 -33.752 18.030 1.00 23.02 H new ATOM 0 HA THR A 122 17.745 -32.002 19.191 1.00 32.35 H new ATOM 0 HB THR A 122 16.753 -31.763 16.819 1.00 41.44 H new ATOM 0 HG1 THR A 122 19.471 -31.990 15.971 1.00 24.01 H new ATOM 0 HG21 THR A 122 18.079 -29.737 16.347 1.00 35.44 H new ATOM 0 HG22 THR A 122 17.675 -29.871 18.075 1.00 35.44 H new ATOM 0 HG23 THR A 122 19.313 -30.279 17.510 1.00 35.44 H new ATOM 1941 N GLY A 123 15.931 -33.733 18.588 1.00 34.32 N ATOM 1942 CA GLY A 123 15.041 -34.879 18.550 1.00 32.31 C ATOM 1943 C GLY A 123 13.987 -34.831 19.637 1.00 51.20 C ATOM 1944 O GLY A 123 14.310 -34.781 20.823 1.00 74.42 O ATOM 0 H GLY A 123 15.496 -32.862 18.892 1.00 34.32 H new ATOM 0 HA2 GLY A 123 14.553 -34.924 17.577 1.00 32.31 H new ATOM 0 HA3 GLY A 123 15.626 -35.793 18.655 1.00 32.31 H new ATOM 1948 N ASN A 124 12.721 -34.843 19.233 1.00 43.12 N ATOM 1949 CA ASN A 124 11.614 -34.799 20.182 1.00 15.34 C ATOM 1950 C ASN A 124 10.691 -35.999 19.999 1.00 24.02 C ATOM 1951 O ASN A 124 10.774 -36.710 18.999 1.00 62.23 O ATOM 1952 CB ASN A 124 10.823 -33.500 20.013 1.00 65.14 C ATOM 1953 CG ASN A 124 10.643 -33.118 18.557 1.00 25.44 C ATOM 1954 OD1 ASN A 124 9.720 -33.586 17.890 1.00 33.41 O ATOM 1955 ND2 ASN A 124 11.527 -32.264 18.056 1.00 1.44 N ATOM 0 H ASN A 124 12.436 -34.883 18.254 1.00 43.12 H new ATOM 0 HA ASN A 124 12.029 -34.835 21.189 1.00 15.34 H new ATOM 0 HB2 ASN A 124 9.845 -33.610 20.480 1.00 65.14 H new ATOM 0 HB3 ASN A 124 11.337 -32.694 20.536 1.00 65.14 H new ATOM 0 HD21 ASN A 124 11.457 -31.971 17.082 1.00 1.44 H new ATOM 0 HD22 ASN A 124 12.276 -31.901 18.645 1.00 1.44 H new ATOM 1962 N ASN A 125 9.812 -36.216 20.971 1.00 24.43 N ATOM 1963 CA ASN A 125 8.871 -37.329 20.917 1.00 32.41 C ATOM 1964 C ASN A 125 7.442 -36.827 20.734 1.00 33.24 C ATOM 1965 O ASN A 125 7.128 -35.684 21.066 1.00 50.12 O ATOM 1966 CB ASN A 125 8.970 -38.169 22.192 1.00 65.31 C ATOM 1967 CG ASN A 125 10.406 -38.418 22.612 1.00 23.30 C ATOM 1968 OD1 ASN A 125 11.050 -39.351 22.133 1.00 75.21 O ATOM 1969 ND2 ASN A 125 10.913 -37.582 23.510 1.00 63.13 N ATOM 0 H ASN A 125 9.731 -35.636 21.806 1.00 24.43 H new ATOM 0 HA ASN A 125 9.130 -37.950 20.059 1.00 32.41 H new ATOM 0 HB2 ASN A 125 8.441 -37.662 22.999 1.00 65.31 H new ATOM 0 HB3 ASN A 125 8.470 -39.125 22.034 1.00 65.31 H new ATOM 0 HD21 ASN A 125 11.874 -37.699 23.830 1.00 63.13 H new ATOM 0 HD22 ASN A 125 10.341 -36.822 23.879 1.00 63.13 H new ATOM 1976 N SER A 126 6.581 -37.690 20.203 1.00 52.32 N ATOM 1977 CA SER A 126 5.186 -37.333 19.974 1.00 33.15 C ATOM 1978 C SER A 126 4.254 -38.255 20.752 1.00 52.43 C ATOM 1979 O SER A 126 4.674 -39.294 21.260 1.00 42.12 O ATOM 1980 CB SER A 126 4.859 -37.403 18.480 1.00 13.54 C ATOM 1981 OG SER A 126 5.557 -38.466 17.854 1.00 40.35 O ATOM 0 H SER A 126 6.825 -38.640 19.924 1.00 52.32 H new ATOM 0 HA SER A 126 5.036 -36.312 20.326 1.00 33.15 H new ATOM 0 HB2 SER A 126 3.786 -37.539 18.345 1.00 13.54 H new ATOM 0 HB3 SER A 126 5.123 -36.459 18.002 1.00 13.54 H new ATOM 0 HG SER A 126 5.330 -38.490 16.901 1.00 40.35 H new ATOM 1987 N GLN A 127 2.986 -37.865 20.843 1.00 50.23 N ATOM 1988 CA GLN A 127 1.995 -38.656 21.562 1.00 23.50 C ATOM 1989 C GLN A 127 0.674 -38.698 20.798 1.00 34.53 C ATOM 1990 O GLN A 127 0.562 -38.150 19.701 1.00 41.22 O ATOM 1991 CB GLN A 127 1.769 -38.082 22.961 1.00 1.24 C ATOM 1992 CG GLN A 127 2.945 -38.289 23.901 1.00 64.11 C ATOM 1993 CD GLN A 127 3.035 -39.712 24.417 1.00 51.22 C ATOM 1994 OE1 GLN A 127 4.038 -40.396 24.212 1.00 1.11 O ATOM 1995 NE2 GLN A 127 1.985 -40.165 25.092 1.00 10.12 N ATOM 0 H GLN A 127 2.622 -37.007 20.428 1.00 50.23 H new ATOM 0 HA GLN A 127 2.376 -39.673 21.652 1.00 23.50 H new ATOM 0 HB2 GLN A 127 1.565 -37.015 22.878 1.00 1.24 H new ATOM 0 HB3 GLN A 127 0.882 -38.544 23.395 1.00 1.24 H new ATOM 0 HG2 GLN A 127 3.869 -38.035 23.382 1.00 64.11 H new ATOM 0 HG3 GLN A 127 2.856 -37.605 24.745 1.00 64.11 H new ATOM 0 HE21 GLN A 127 1.175 -39.563 25.238 1.00 10.12 H new ATOM 0 HE22 GLN A 127 1.989 -41.115 25.464 1.00 10.12 H new ATOM 2004 N VAL A 128 -0.322 -39.355 21.384 1.00 13.53 N ATOM 2005 CA VAL A 128 -1.634 -39.468 20.759 1.00 25.42 C ATOM 2006 C VAL A 128 -2.748 -39.324 21.790 1.00 64.31 C ATOM 2007 O VAL A 128 -2.497 -39.325 22.995 1.00 33.41 O ATOM 2008 CB VAL A 128 -1.794 -40.816 20.031 1.00 21.30 C ATOM 2009 CG1 VAL A 128 -0.856 -40.894 18.837 1.00 13.44 C ATOM 2010 CG2 VAL A 128 -1.548 -41.972 20.990 1.00 14.23 C ATOM 0 H VAL A 128 -0.245 -39.817 22.290 1.00 13.53 H new ATOM 0 HA VAL A 128 -1.709 -38.659 20.032 1.00 25.42 H new ATOM 0 HB VAL A 128 -2.817 -40.891 19.663 1.00 21.30 H new ATOM 0 HG11 VAL A 128 -0.984 -41.854 18.336 1.00 13.44 H new ATOM 0 HG12 VAL A 128 -1.086 -40.087 18.141 1.00 13.44 H new ATOM 0 HG13 VAL A 128 0.175 -40.797 19.177 1.00 13.44 H new ATOM 0 HG21 VAL A 128 -1.665 -42.917 20.459 1.00 14.23 H new ATOM 0 HG22 VAL A 128 -0.536 -41.904 21.390 1.00 14.23 H new ATOM 0 HG23 VAL A 128 -2.266 -41.925 21.809 1.00 14.23 H new ATOM 2020 N SER A 129 -3.981 -39.200 21.307 1.00 71.14 N ATOM 2021 CA SER A 129 -5.134 -39.052 22.187 1.00 20.13 C ATOM 2022 C SER A 129 -5.211 -40.204 23.182 1.00 74.44 C ATOM 2023 O SER A 129 -4.802 -41.326 22.881 1.00 21.05 O ATOM 2024 CB SER A 129 -6.423 -38.985 21.366 1.00 32.52 C ATOM 2025 OG SER A 129 -6.294 -39.710 20.154 1.00 42.21 O ATOM 0 H SER A 129 -4.206 -39.199 20.312 1.00 71.14 H new ATOM 0 HA SER A 129 -5.017 -38.122 22.744 1.00 20.13 H new ATOM 0 HB2 SER A 129 -7.251 -39.389 21.949 1.00 32.52 H new ATOM 0 HB3 SER A 129 -6.665 -37.945 21.147 1.00 32.52 H new ATOM 0 HG SER A 129 -5.988 -39.108 19.444 1.00 42.21 H new ATOM 2031 N GLN A 130 -5.737 -39.921 24.368 1.00 42.43 N ATOM 2032 CA GLN A 130 -5.867 -40.934 25.410 1.00 31.23 C ATOM 2033 C GLN A 130 -7.121 -41.774 25.197 1.00 51.35 C ATOM 2034 O GLN A 130 -8.230 -41.246 25.133 1.00 61.40 O ATOM 2035 CB GLN A 130 -5.907 -40.275 26.790 1.00 20.42 C ATOM 2036 CG GLN A 130 -5.643 -41.241 27.933 1.00 75.42 C ATOM 2037 CD GLN A 130 -4.720 -40.662 28.986 1.00 1.11 C ATOM 2038 OE1 GLN A 130 -5.146 -39.884 29.841 1.00 40.21 O ATOM 2039 NE2 GLN A 130 -3.448 -41.037 28.931 1.00 33.21 N ATOM 0 H GLN A 130 -6.081 -38.998 24.633 1.00 42.43 H new ATOM 0 HA GLN A 130 -4.998 -41.590 25.355 1.00 31.23 H new ATOM 0 HB2 GLN A 130 -5.167 -39.475 26.823 1.00 20.42 H new ATOM 0 HB3 GLN A 130 -6.883 -39.812 26.934 1.00 20.42 H new ATOM 0 HG2 GLN A 130 -6.590 -41.516 28.397 1.00 75.42 H new ATOM 0 HG3 GLN A 130 -5.205 -42.157 27.536 1.00 75.42 H new ATOM 0 HE21 GLN A 130 -3.138 -41.684 28.206 1.00 33.21 H new ATOM 0 HE22 GLN A 130 -2.781 -40.679 29.614 1.00 33.21 H new ATOM 2048 N ASN A 131 -6.937 -43.086 25.089 1.00 54.12 N ATOM 2049 CA ASN A 131 -8.054 -44.001 24.883 1.00 43.53 C ATOM 2050 C ASN A 131 -9.124 -43.803 25.954 1.00 34.21 C ATOM 2051 O ASN A 131 -8.912 -43.086 26.933 1.00 73.00 O ATOM 2052 CB ASN A 131 -7.564 -45.450 24.897 1.00 50.45 C ATOM 2053 CG ASN A 131 -7.673 -46.111 23.537 1.00 20.13 C ATOM 2054 OD1 ASN A 131 -8.772 -46.389 23.057 1.00 63.41 O ATOM 2055 ND2 ASN A 131 -6.531 -46.364 22.910 1.00 23.41 N ATOM 0 H ASN A 131 -6.025 -43.539 25.141 1.00 54.12 H new ATOM 0 HA ASN A 131 -8.494 -43.784 23.910 1.00 43.53 H new ATOM 0 HB2 ASN A 131 -6.526 -45.476 25.228 1.00 50.45 H new ATOM 0 HB3 ASN A 131 -8.145 -46.020 25.622 1.00 50.45 H new ATOM 0 HD21 ASN A 131 -6.541 -46.807 21.991 1.00 23.41 H new ATOM 0 HD22 ASN A 131 -5.643 -46.116 23.347 1.00 23.41 H new ATOM 2062 N TYR A 132 -10.271 -44.443 25.762 1.00 22.11 N ATOM 2063 CA TYR A 132 -11.374 -44.337 26.709 1.00 3.42 C ATOM 2064 C TYR A 132 -11.109 -45.184 27.950 1.00 43.12 C ATOM 2065 O TYR A 132 -9.975 -45.611 28.158 1.00 71.14 O ATOM 2066 CB TYR A 132 -12.684 -44.774 26.051 1.00 13.04 C ATOM 2067 CG TYR A 132 -13.522 -43.620 25.546 1.00 42.43 C ATOM 2068 CD1 TYR A 132 -12.954 -42.598 24.797 1.00 14.31 C ATOM 2069 CD2 TYR A 132 -14.883 -43.554 25.821 1.00 3.34 C ATOM 2070 CE1 TYR A 132 -13.715 -41.542 24.336 1.00 64.11 C ATOM 2071 CE2 TYR A 132 -15.653 -42.502 25.362 1.00 52.32 C ATOM 2072 CZ TYR A 132 -15.064 -41.498 24.621 1.00 63.35 C ATOM 2073 OH TYR A 132 -15.827 -40.449 24.162 1.00 2.51 O ATOM 0 H TYR A 132 -10.462 -45.041 24.958 1.00 22.11 H new ATOM 0 HA TYR A 132 -11.459 -43.294 27.013 1.00 3.42 H new ATOM 0 HB2 TYR A 132 -12.458 -45.440 25.218 1.00 13.04 H new ATOM 0 HB3 TYR A 132 -13.268 -45.349 26.770 1.00 13.04 H new ATOM 0 HD1 TYR A 132 -11.898 -42.630 24.571 1.00 14.31 H new ATOM 0 HD2 TYR A 132 -15.346 -44.337 26.403 1.00 3.34 H new ATOM 0 HE1 TYR A 132 -13.257 -40.755 23.756 1.00 64.11 H new ATOM 0 HE2 TYR A 132 -16.710 -42.466 25.582 1.00 52.32 H new ATOM 0 HH TYR A 132 -16.756 -40.570 24.449 1.00 2.51 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 1.307 -32.190 3.806 1.00 41.12 N HETATM 2085 P 8SP A 300 1.932 -30.378 8.388 1.00 21.30 P HETATM 2086 OG 8SP A 300 2.595 -30.767 6.987 1.00 34.15 O HETATM 2087 C1A 8SP A 300 -1.982 -25.853 8.777 1.00 33.12 C HETATM 2088 O1A 8SP A 300 -1.610 -25.108 9.716 1.00 22.25 O HETATM 2089 C1B 8SP A 300 1.521 -25.955 5.186 1.00 4.11 C HETATM 2090 O1B 8SP A 300 1.641 -26.881 4.350 1.00 50.22 O HETATM 2091 CB 8SP A 300 1.760 -30.817 5.809 1.00 2.23 C HETATM 2092 C1G 8SP A 300 0.009 -27.297 8.315 1.00 64.00 C HETATM 2093 O1G 8SP A 300 -1.071 -26.431 7.944 1.00 33.43 O HETATM 2094 C2A 8SP A 300 -3.407 -26.162 8.535 1.00 3.22 C HETATM 2095 C2B 8SP A 300 1.839 -24.551 4.846 1.00 14.24 C HETATM 2096 CA 8SP A 300 1.581 -32.252 5.253 1.00 13.15 C HETATM 2097 C2G 8SP A 300 1.008 -27.463 7.145 1.00 60.41 C HETATM 2098 O2G 8SP A 300 1.052 -26.208 6.444 1.00 3.22 O HETATM 2099 O2P 8SP A 300 0.473 -30.507 8.390 1.00 72.12 O HETATM 2100 C3A 8SP A 300 -3.684 -27.282 7.495 1.00 63.53 C HETATM 2101 C3B 8SP A 300 3.173 -24.335 4.076 1.00 71.24 C HETATM 2102 C 8SP A 300 0.491 -32.999 5.910 1.00 33.31 C HETATM 2103 O 8SP A 300 0.731 -33.978 6.652 1.00 10.23 O HETATM 2104 OXT 8SP A 300 -0.797 -32.610 5.756 1.00 45.42 O HETATM 2105 C3G 8SP A 300 2.412 -27.943 7.608 1.00 33.13 C HETATM 2106 O3G 8SP A 300 2.350 -28.868 8.723 1.00 11.41 O HETATM 2107 O3P 8SP A 300 2.555 -31.303 9.511 1.00 53.23 O HETATM 2108 C4A 8SP A 300 -3.764 -26.735 6.044 1.00 25.22 C HETATM 2109 C4B 8SP A 300 2.971 -23.670 2.687 1.00 45.14 C HETATM 2110 C5A 8SP A 300 -5.056 -27.176 5.306 1.00 42.41 C HETATM 2111 C5B 8SP A 300 4.236 -22.918 2.193 1.00 3.33 C HETATM 2112 C6A 8SP A 300 -6.347 -26.757 6.061 1.00 73.21 C HETATM 2113 C6B 8SP A 300 4.085 -22.361 0.751 1.00 0.32 C HETATM 2114 C7A 8SP A 300 -7.630 -26.989 5.219 1.00 65.33 C HETATM 2115 C7B 8SP A 300 4.602 -20.903 0.619 1.00 34.51 C HETATM 2116 C8A 8SP A 300 -7.951 -28.487 5.018 1.00 41.31 C HETATM 2117 C8B 8SP A 300 4.952 -20.516 -0.837 1.00 52.42 C HETATM 0 H38B 8SP A 300 5.732 -21.179 -1.212 1.00 52.42 H new HETATM 0 H38A 8SP A 300 -7.122 -28.971 4.501 1.00 41.31 H new HETATM 0 H28B 8SP A 300 4.064 -20.610 -1.462 1.00 52.42 H new HETATM 0 H28A 8SP A 300 -8.100 -28.961 5.988 1.00 41.31 H new HETATM 0 H27B 8SP A 300 3.844 -20.219 0.999 1.00 34.51 H new HETATM 0 H27A 8SP A 300 -8.474 -26.504 5.710 1.00 65.33 H new HETATM 0 H26B 8SP A 300 4.632 -23.001 0.059 1.00 0.32 H new HETATM 0 H26A 8SP A 300 -6.420 -27.321 6.991 1.00 73.21 H new HETATM 0 H25B 8SP A 300 4.452 -22.095 2.874 1.00 3.33 H new HETATM 0 H25A 8SP A 300 -5.066 -26.740 4.307 1.00 42.41 H new HETATM 0 H24B 8SP A 300 2.700 -24.434 1.959 1.00 45.14 H new HETATM 0 H24A 8SP A 300 -3.718 -25.646 6.068 1.00 25.22 H new HETATM 0 H23G 8SP A 300 2.921 -28.423 6.772 1.00 33.13 H new HETATM 0 H23B 8SP A 300 3.837 -23.713 4.677 1.00 71.24 H new HETATM 0 H23A 8SP A 300 -2.896 -28.033 7.555 1.00 63.53 H new HETATM 0 H22B 8SP A 300 1.024 -24.147 4.246 1.00 14.24 H new HETATM 0 H22A 8SP A 300 -3.864 -26.449 9.482 1.00 3.22 H new HETATM 0 H21G 8SP A 300 0.525 -26.890 9.185 1.00 64.00 H new HETATM 0 H18B 8SP A 300 5.307 -19.486 -0.864 1.00 52.42 H new HETATM 0 H18A 8SP A 300 -8.858 -28.588 4.422 1.00 41.31 H new HETATM 0 H17B 8SP A 300 5.486 -20.779 1.245 1.00 34.51 H new HETATM 0 H17A 8SP A 300 -7.511 -26.514 4.245 1.00 65.33 H new HETATM 0 H16B 8SP A 300 3.036 -22.399 0.459 1.00 0.32 H new HETATM 0 H16A 8SP A 300 -6.280 -25.703 6.332 1.00 73.21 H new HETATM 0 H15B 8SP A 300 5.091 -23.593 2.228 1.00 3.33 H new HETATM 0 H15A 8SP A 300 -5.047 -28.259 5.182 1.00 42.41 H new HETATM 0 H14B 8SP A 300 2.136 -22.971 2.741 1.00 45.14 H new HETATM 0 H14A 8SP A 300 -2.895 -27.078 5.483 1.00 25.22 H new HETATM 0 H13G 8SP A 300 3.011 -27.078 7.892 1.00 33.13 H new HETATM 0 H13B 8SP A 300 3.670 -25.296 3.944 1.00 71.24 H new HETATM 0 H13A 8SP A 300 -4.620 -27.782 7.744 1.00 63.53 H new HETATM 0 H12B 8SP A 300 1.874 -23.971 5.768 1.00 14.24 H new HETATM 0 H12A 8SP A 300 -3.906 -25.252 8.204 1.00 3.22 H new HETATM 0 H11G 8SP A 300 -0.384 -28.272 8.605 1.00 64.00 H new HETATM 0 HXT 8SP A 300 -1.393 -33.319 6.077 1.00 45.42 H new HETATM 0 HB3 8SP A 300 2.196 -30.185 5.035 1.00 2.23 H new HETATM 0 HB2 8SP A 300 0.781 -30.401 6.047 1.00 2.23 H new HETATM 0 HA 8SP A 300 2.511 -32.783 5.457 1.00 13.15 H new HETATM 0 H2G 8SP A 300 0.668 -28.254 6.477 1.00 60.41 H new HETATM 0 H2 8SP A 300 1.162 -33.050 3.277 1.00 41.12 H new HETATM 0 H 8SP A 300 1.262 -31.287 3.334 1.00 41.12 H new