USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 MET CE :methyl -170:sc= -0.984 (180deg=-1.17) USER MOD Set 1.2: A 107 THR OG1 : rot -7:sc= 0.0533 USER MOD Set 1.3: A 112 HIS : no HD1:sc= -3.86! C(o=-4.8!,f=-5.2!) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 163:sc= 2.27 (180deg=0.641) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.978 K(o=3.3,f=-14!) USER MOD Set 3.1: A 12 HIS : no HD1:sc= -0.12 K(o=0.048,f=-12!) USER MOD Set 3.2: A 68 CYS SG : rot -114:sc= 0.128 USER MOD Set 3.3: A 70 SER OG : rot 180:sc= 0.0401 USER MOD Set 4.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 5 SER OG : rot 180:sc= 0.145 USER MOD Single : A 7 LYS NZ :NH3+ -146:sc=0.000521 (180deg=0) USER MOD Single : A 18 SER OG : rot -82:sc= 1.26 USER MOD Single : A 20 SER OG : rot -60:sc= 1.7 USER MOD Single : A 25 SER OG : rot 180:sc= 0.364 USER MOD Single : A 28 THR OG1 : rot 108:sc= 0.774 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0444 USER MOD Single : A 32 THR OG1 : rot -152:sc= -0.672 USER MOD Single : A 36 THR OG1 : rot -88:sc= 1.64 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0353) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.164 F(o=-2.5,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -0.0417 (180deg=-0.201) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00831 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -177:sc= -0.0745 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 56:sc= 1.06 USER MOD Single : A 64 GLN : amide:sc= 1.21 K(o=1.2,f=-0.025) USER MOD Single : A 66 SER OG : rot -43:sc= 1.3 USER MOD Single : A 71 TYR OH : rot 150:sc= 0.974 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -131:sc= 0.256 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -152:sc= -2.07 (180deg=-3.21!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= -0.0939 (180deg=-0.359) USER MOD Single : A 102 SER OG : rot 130:sc= -1.05 USER MOD Single : A 106 GLN : amide:sc= -0.135 X(o=-0.14,f=0) USER MOD Single : A 109 SER OG : rot 3:sc= -1.16! USER MOD Single : A 115 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00335) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 -21.008 0.027 -2.770 1.00 4.59 N ATOM 2 CA MET A 4 -21.685 -1.268 -3.006 1.00 4.13 C ATOM 3 C MET A 4 -21.472 -2.187 -1.805 1.00 3.08 C ATOM 4 O MET A 4 -20.563 -1.956 -1.007 1.00 3.52 O ATOM 5 CB MET A 4 -21.155 -1.909 -4.292 1.00 4.92 C ATOM 6 CG MET A 4 -21.912 -3.155 -4.720 1.00 5.54 C ATOM 7 SD MET A 4 -23.682 -2.864 -4.900 1.00 6.61 S ATOM 8 CE MET A 4 -24.221 -4.455 -5.520 1.00 7.23 C ATOM 0 HA MET A 4 -22.756 -1.103 -3.127 1.00 4.13 H new ATOM 0 HB2 MET A 4 -21.200 -1.175 -5.097 1.00 4.92 H new ATOM 0 HB3 MET A 4 -20.105 -2.165 -4.152 1.00 4.92 H new ATOM 0 HG2 MET A 4 -21.508 -3.513 -5.667 1.00 5.54 H new ATOM 0 HG3 MET A 4 -21.750 -3.944 -3.986 1.00 5.54 H new ATOM 0 HE1 MET A 4 -25.299 -4.436 -5.683 1.00 7.23 H new ATOM 0 HE2 MET A 4 -23.715 -4.669 -6.462 1.00 7.23 H new ATOM 0 HE3 MET A 4 -23.977 -5.230 -4.793 1.00 7.23 H new ATOM 20 N SER A 5 -22.321 -3.206 -1.674 1.00 2.21 N ATOM 21 CA SER A 5 -22.302 -4.101 -0.519 1.00 1.64 C ATOM 22 C SER A 5 -20.923 -4.733 -0.297 1.00 1.29 C ATOM 23 O SER A 5 -20.184 -4.323 0.603 1.00 1.48 O ATOM 24 CB SER A 5 -23.368 -5.183 -0.701 1.00 2.23 C ATOM 25 OG SER A 5 -23.318 -5.719 -2.012 1.00 2.88 O ATOM 0 H SER A 5 -23.038 -3.433 -2.363 1.00 2.21 H new ATOM 0 HA SER A 5 -22.523 -3.511 0.371 1.00 1.64 H new ATOM 0 HB2 SER A 5 -23.215 -5.978 0.029 1.00 2.23 H new ATOM 0 HB3 SER A 5 -24.356 -4.763 -0.512 1.00 2.23 H new ATOM 0 HG SER A 5 -24.006 -6.410 -2.109 1.00 2.88 H new ATOM 31 N GLU A 6 -20.573 -5.719 -1.114 1.00 1.02 N ATOM 32 CA GLU A 6 -19.281 -6.380 -0.982 1.00 0.78 C ATOM 33 C GLU A 6 -18.258 -5.751 -1.917 1.00 0.71 C ATOM 34 O GLU A 6 -17.057 -5.816 -1.667 1.00 1.06 O ATOM 35 CB GLU A 6 -19.398 -7.887 -1.246 1.00 0.86 C ATOM 36 CG GLU A 6 -19.909 -8.237 -2.632 1.00 1.37 C ATOM 37 CD GLU A 6 -20.011 -9.730 -2.858 1.00 2.17 C ATOM 38 OE1 GLU A 6 -20.940 -10.358 -2.309 1.00 2.56 O ATOM 39 OE2 GLU A 6 -19.171 -10.283 -3.598 1.00 2.80 O ATOM 0 H GLU A 6 -21.160 -6.076 -1.868 1.00 1.02 H new ATOM 0 HA GLU A 6 -18.941 -6.245 0.045 1.00 0.78 H new ATOM 0 HB2 GLU A 6 -18.420 -8.346 -1.105 1.00 0.86 H new ATOM 0 HB3 GLU A 6 -20.066 -8.324 -0.504 1.00 0.86 H new ATOM 0 HG2 GLU A 6 -20.890 -7.784 -2.778 1.00 1.37 H new ATOM 0 HG3 GLU A 6 -19.244 -7.805 -3.380 1.00 1.37 H new ATOM 46 N LYS A 7 -18.737 -5.143 -2.997 1.00 0.57 N ATOM 47 CA LYS A 7 -17.857 -4.454 -3.931 1.00 0.51 C ATOM 48 C LYS A 7 -17.373 -3.136 -3.343 1.00 0.42 C ATOM 49 O LYS A 7 -18.135 -2.178 -3.203 1.00 0.60 O ATOM 50 CB LYS A 7 -18.551 -4.220 -5.272 1.00 0.64 C ATOM 51 CG LYS A 7 -18.621 -5.460 -6.148 1.00 0.92 C ATOM 52 CD LYS A 7 -17.245 -5.847 -6.667 1.00 0.87 C ATOM 53 CE LYS A 7 -17.304 -7.087 -7.541 1.00 1.10 C ATOM 54 NZ LYS A 7 -15.969 -7.439 -8.088 1.00 1.19 N ATOM 0 H LYS A 7 -19.726 -5.114 -3.246 1.00 0.57 H new ATOM 0 HA LYS A 7 -16.991 -5.092 -4.106 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -19.563 -3.857 -5.089 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -18.023 -3.434 -5.812 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.043 -6.288 -5.578 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -19.291 -5.277 -6.988 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -16.825 -5.019 -7.238 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -16.576 -6.026 -5.826 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -17.691 -7.924 -6.959 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -18.001 -6.920 -8.362 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -16.080 -7.845 -9.039 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -15.380 -6.584 -8.143 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -15.511 -8.135 -7.465 1.00 1.19 H new ATOM 68 N LEU A 8 -16.103 -3.114 -2.997 1.00 0.33 N ATOM 69 CA LEU A 8 -15.472 -1.960 -2.388 1.00 0.26 C ATOM 70 C LEU A 8 -14.381 -1.432 -3.314 1.00 0.22 C ATOM 71 O LEU A 8 -14.079 -2.054 -4.335 1.00 0.22 O ATOM 72 CB LEU A 8 -14.886 -2.368 -1.039 1.00 0.25 C ATOM 73 CG LEU A 8 -14.569 -1.221 -0.082 1.00 0.33 C ATOM 74 CD1 LEU A 8 -15.841 -0.515 0.351 1.00 1.18 C ATOM 75 CD2 LEU A 8 -13.808 -1.739 1.128 1.00 0.81 C ATOM 0 H LEU A 8 -15.473 -3.904 -3.132 1.00 0.33 H new ATOM 0 HA LEU A 8 -16.204 -1.168 -2.230 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.587 -3.043 -0.548 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.971 -2.932 -1.217 1.00 0.25 H new ATOM 0 HG LEU A 8 -13.941 -0.499 -0.605 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -15.592 0.298 1.032 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -16.350 -0.112 -0.525 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -16.496 -1.224 0.857 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -13.589 -0.911 1.802 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -14.414 -2.480 1.649 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -12.875 -2.198 0.802 1.00 0.81 H new ATOM 87 N ARG A 9 -13.796 -0.296 -2.966 1.00 0.24 N ATOM 88 CA ARG A 9 -12.719 0.287 -3.751 1.00 0.23 C ATOM 89 C ARG A 9 -11.736 0.993 -2.832 1.00 0.20 C ATOM 90 O ARG A 9 -12.129 1.835 -2.019 1.00 0.21 O ATOM 91 CB ARG A 9 -13.256 1.278 -4.784 1.00 0.25 C ATOM 92 CG ARG A 9 -12.151 2.004 -5.536 1.00 0.26 C ATOM 93 CD ARG A 9 -12.691 3.118 -6.413 1.00 0.34 C ATOM 94 NE ARG A 9 -11.623 4.005 -6.876 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.817 5.075 -7.640 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.033 5.383 -8.071 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.782 5.831 -7.979 1.00 0.98 N ATOM 0 H ARG A 9 -14.052 0.244 -2.139 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.215 -0.520 -4.282 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -13.886 0.746 -5.497 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.890 2.010 -4.283 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.440 2.419 -4.822 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.604 1.291 -6.153 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.206 2.688 -7.272 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.428 3.696 -5.856 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.667 3.788 -6.594 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.828 4.797 -7.816 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.173 6.206 -8.657 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.846 5.590 -7.654 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.922 6.654 -8.565 1.00 0.98 H new ATOM 111 N ALA A 10 -10.467 0.643 -2.949 1.00 0.20 N ATOM 112 CA ALA A 10 -9.442 1.243 -2.115 1.00 0.17 C ATOM 113 C ALA A 10 -8.119 1.374 -2.858 1.00 0.16 C ATOM 114 O ALA A 10 -7.844 0.633 -3.802 1.00 0.17 O ATOM 115 CB ALA A 10 -9.258 0.418 -0.852 1.00 0.22 C ATOM 0 H ALA A 10 -10.123 -0.052 -3.612 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.769 2.248 -1.848 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.487 0.873 -0.229 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.197 0.384 -0.300 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.957 -0.595 -1.120 1.00 0.22 H new ATOM 121 N ALA A 11 -7.310 2.326 -2.419 1.00 0.17 N ATOM 122 CA ALA A 11 -5.986 2.540 -2.978 1.00 0.18 C ATOM 123 C ALA A 11 -4.940 2.040 -2.001 1.00 0.17 C ATOM 124 O ALA A 11 -5.078 2.227 -0.792 1.00 0.19 O ATOM 125 CB ALA A 11 -5.762 4.013 -3.290 1.00 0.20 C ATOM 0 H ALA A 11 -7.553 2.970 -1.667 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.902 1.984 -3.912 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.764 4.149 -3.707 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.506 4.349 -4.012 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.855 4.597 -2.374 1.00 0.20 H new ATOM 131 N HIS A 12 -3.893 1.416 -2.514 1.00 0.16 N ATOM 132 CA HIS A 12 -2.907 0.779 -1.661 1.00 0.16 C ATOM 133 C HIS A 12 -1.494 1.016 -2.175 1.00 0.15 C ATOM 134 O HIS A 12 -1.271 1.147 -3.377 1.00 0.19 O ATOM 135 CB HIS A 12 -3.174 -0.725 -1.563 1.00 0.17 C ATOM 136 CG HIS A 12 -2.885 -1.495 -2.820 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.753 -1.560 -3.886 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.815 -2.252 -3.167 1.00 0.22 C ATOM 139 CE1 HIS A 12 -3.230 -2.326 -4.827 1.00 0.23 C ATOM 140 NE2 HIS A 12 -2.058 -2.756 -4.417 1.00 0.21 N ATOM 0 H HIS A 12 -3.705 1.338 -3.513 1.00 0.16 H new ATOM 0 HA HIS A 12 -2.993 1.225 -0.670 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.570 -1.136 -0.754 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.218 -0.878 -1.291 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -0.933 -2.426 -2.568 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.690 -2.560 -5.776 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.432 -3.365 -4.943 1.00 0.21 H new ATOM 149 N LEU A 13 -0.546 1.043 -1.256 1.00 0.15 N ATOM 150 CA LEU A 13 0.855 1.187 -1.605 1.00 0.14 C ATOM 151 C LEU A 13 1.594 -0.058 -1.133 1.00 0.16 C ATOM 152 O LEU A 13 1.257 -0.621 -0.093 1.00 0.24 O ATOM 153 CB LEU A 13 1.430 2.465 -0.969 1.00 0.15 C ATOM 154 CG LEU A 13 2.699 3.035 -1.621 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.857 4.505 -1.276 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.936 2.271 -1.177 1.00 0.18 C ATOM 0 H LEU A 13 -0.723 0.966 -0.254 1.00 0.15 H new ATOM 0 HA LEU A 13 0.974 1.284 -2.684 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.659 3.235 -0.990 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.646 2.259 0.079 1.00 0.15 H new ATOM 0 HG LEU A 13 2.594 2.927 -2.701 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.761 4.894 -1.745 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.992 5.059 -1.640 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.932 4.619 -0.195 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.818 2.697 -1.655 1.00 0.18 H new ATOM 0 HD22 LEU A 13 4.039 2.343 -0.094 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.839 1.224 -1.463 1.00 0.18 H new ATOM 168 N LEU A 14 2.563 -0.506 -1.913 1.00 0.13 N ATOM 169 CA LEU A 14 3.288 -1.730 -1.606 1.00 0.14 C ATOM 170 C LEU A 14 4.790 -1.484 -1.620 1.00 0.16 C ATOM 171 O LEU A 14 5.341 -1.043 -2.623 1.00 0.27 O ATOM 172 CB LEU A 14 2.919 -2.821 -2.622 1.00 0.16 C ATOM 173 CG LEU A 14 3.792 -4.086 -2.605 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.800 -4.743 -1.232 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.303 -5.068 -3.658 1.00 0.27 C ATOM 0 H LEU A 14 2.868 -0.039 -2.767 1.00 0.13 H new ATOM 0 HA LEU A 14 3.006 -2.061 -0.606 1.00 0.14 H new ATOM 0 HB2 LEU A 14 1.884 -3.116 -2.447 1.00 0.16 H new ATOM 0 HB3 LEU A 14 2.963 -2.388 -3.621 1.00 0.16 H new ATOM 0 HG LEU A 14 4.816 -3.791 -2.835 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.427 -5.634 -1.259 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.195 -4.043 -0.496 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.783 -5.023 -0.957 1.00 0.18 H new ATOM 0 HD21 LEU A 14 3.927 -5.962 -3.640 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.269 -5.343 -3.447 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.362 -4.605 -4.643 1.00 0.27 H new ATOM 187 N VAL A 15 5.435 -1.761 -0.502 1.00 0.13 N ATOM 188 CA VAL A 15 6.883 -1.652 -0.408 1.00 0.13 C ATOM 189 C VAL A 15 7.493 -3.037 -0.245 1.00 0.13 C ATOM 190 O VAL A 15 6.970 -3.871 0.501 1.00 0.15 O ATOM 191 CB VAL A 15 7.317 -0.754 0.775 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.833 -0.684 0.883 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.743 0.643 0.625 1.00 0.15 C ATOM 0 H VAL A 15 4.979 -2.065 0.358 1.00 0.13 H new ATOM 0 HA VAL A 15 7.241 -1.191 -1.328 1.00 0.13 H new ATOM 0 HB VAL A 15 6.927 -1.200 1.690 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.109 -0.046 1.723 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.233 -1.685 1.041 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.245 -0.270 -0.037 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.060 1.259 1.467 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.102 1.086 -0.304 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.655 0.589 0.604 1.00 0.15 H new ATOM 203 N LYS A 16 8.572 -3.286 -0.967 1.00 0.15 N ATOM 204 CA LYS A 16 9.282 -4.547 -0.870 1.00 0.17 C ATOM 205 C LYS A 16 10.615 -4.340 -0.168 1.00 0.16 C ATOM 206 O LYS A 16 11.082 -3.210 -0.024 1.00 0.24 O ATOM 207 CB LYS A 16 9.492 -5.151 -2.261 1.00 0.23 C ATOM 208 CG LYS A 16 8.211 -5.635 -2.919 1.00 0.26 C ATOM 209 CD LYS A 16 7.634 -6.839 -2.194 1.00 0.37 C ATOM 210 CE LYS A 16 6.304 -7.271 -2.788 1.00 0.48 C ATOM 211 NZ LYS A 16 6.412 -7.604 -4.231 1.00 0.62 N ATOM 0 H LYS A 16 8.977 -2.626 -1.631 1.00 0.15 H new ATOM 0 HA LYS A 16 8.684 -5.244 -0.284 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.960 -4.406 -2.904 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.187 -5.987 -2.183 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.478 -4.828 -2.928 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.411 -5.896 -3.958 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.341 -7.667 -2.245 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.500 -6.598 -1.139 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.931 -8.139 -2.244 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.573 -6.473 -2.655 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.580 -8.156 -4.523 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 6.458 -6.726 -4.787 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.274 -8.163 -4.395 1.00 0.62 H new ATOM 225 N PHE A 17 11.218 -5.433 0.263 1.00 0.17 N ATOM 226 CA PHE A 17 12.464 -5.383 1.008 1.00 0.17 C ATOM 227 C PHE A 17 13.181 -6.717 0.917 1.00 0.19 C ATOM 228 O PHE A 17 12.598 -7.711 0.496 1.00 0.21 O ATOM 229 CB PHE A 17 12.220 -4.991 2.473 1.00 0.17 C ATOM 230 CG PHE A 17 11.296 -5.902 3.241 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.780 -7.034 3.881 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.945 -5.609 3.346 1.00 0.20 C ATOM 233 CE1 PHE A 17 10.935 -7.855 4.605 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.098 -6.424 4.072 1.00 0.23 C ATOM 235 CZ PHE A 17 9.592 -7.547 4.702 1.00 0.25 C ATOM 0 H PHE A 17 10.861 -6.376 0.108 1.00 0.17 H new ATOM 0 HA PHE A 17 13.098 -4.616 0.564 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.180 -4.958 2.987 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.810 -3.981 2.498 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.830 -7.277 3.813 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.550 -4.733 2.854 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.325 -8.736 5.094 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.048 -6.182 4.146 1.00 0.23 H new ATOM 0 HZ PHE A 17 8.930 -8.184 5.270 1.00 0.25 H new ATOM 245 N SER A 18 14.458 -6.724 1.242 1.00 0.22 N ATOM 246 CA SER A 18 15.236 -7.948 1.241 1.00 0.26 C ATOM 247 C SER A 18 14.565 -9.017 2.108 1.00 0.30 C ATOM 248 O SER A 18 14.522 -8.904 3.335 1.00 0.30 O ATOM 249 CB SER A 18 16.649 -7.646 1.743 1.00 0.29 C ATOM 250 OG SER A 18 16.617 -6.980 2.994 1.00 1.04 O ATOM 0 H SER A 18 14.982 -5.891 1.512 1.00 0.22 H new ATOM 0 HA SER A 18 15.294 -8.338 0.225 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.211 -8.575 1.837 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.173 -7.029 1.013 1.00 0.29 H new ATOM 0 HG SER A 18 16.459 -6.023 2.851 1.00 1.04 H new ATOM 256 N GLY A 19 14.027 -10.046 1.464 1.00 0.35 N ATOM 257 CA GLY A 19 13.337 -11.088 2.193 1.00 0.45 C ATOM 258 C GLY A 19 11.824 -10.977 2.091 1.00 0.42 C ATOM 259 O GLY A 19 11.102 -11.681 2.794 1.00 0.53 O ATOM 0 H GLY A 19 14.057 -10.175 0.453 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.652 -12.060 1.813 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.630 -11.046 3.242 1.00 0.45 H new ATOM 263 N SER A 20 11.333 -10.103 1.216 1.00 0.34 N ATOM 264 CA SER A 20 9.899 -9.857 1.111 1.00 0.41 C ATOM 265 C SER A 20 9.248 -10.795 0.096 1.00 0.40 C ATOM 266 O SER A 20 8.387 -10.379 -0.684 1.00 0.45 O ATOM 267 CB SER A 20 9.641 -8.396 0.729 1.00 0.51 C ATOM 268 OG SER A 20 10.273 -8.061 -0.493 1.00 0.70 O ATOM 0 H SER A 20 11.905 -9.556 0.572 1.00 0.34 H new ATOM 0 HA SER A 20 9.450 -10.055 2.084 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.568 -8.225 0.644 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.006 -7.742 1.520 1.00 0.51 H new ATOM 0 HG SER A 20 11.241 -8.189 -0.407 1.00 0.70 H new ATOM 274 N ARG A 21 9.686 -12.056 0.104 1.00 0.43 N ATOM 275 CA ARG A 21 9.179 -13.095 -0.797 1.00 0.49 C ATOM 276 C ARG A 21 9.740 -12.906 -2.210 1.00 0.51 C ATOM 277 O ARG A 21 9.998 -13.876 -2.922 1.00 0.60 O ATOM 278 CB ARG A 21 7.645 -13.119 -0.797 1.00 0.58 C ATOM 279 CG ARG A 21 7.046 -14.278 -1.567 1.00 1.25 C ATOM 280 CD ARG A 21 5.549 -14.381 -1.331 1.00 1.25 C ATOM 281 NE ARG A 21 4.967 -15.535 -2.016 1.00 2.28 N ATOM 282 CZ ARG A 21 3.862 -16.167 -1.613 1.00 2.47 C ATOM 283 NH1 ARG A 21 3.170 -15.714 -0.576 1.00 1.89 N ATOM 284 NH2 ARG A 21 3.439 -17.245 -2.262 1.00 3.49 N ATOM 0 H ARG A 21 10.409 -12.388 0.742 1.00 0.43 H new ATOM 0 HA ARG A 21 9.520 -14.064 -0.432 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.293 -13.160 0.234 1.00 0.58 H new ATOM 0 HB3 ARG A 21 7.277 -12.185 -1.222 1.00 0.58 H new ATOM 0 HG2 ARG A 21 7.241 -14.150 -2.632 1.00 1.25 H new ATOM 0 HG3 ARG A 21 7.529 -15.207 -1.264 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.355 -14.458 -0.261 1.00 1.25 H new ATOM 0 HD3 ARG A 21 5.063 -13.469 -1.679 1.00 1.25 H new ATOM 0 HE ARG A 21 5.435 -15.879 -2.855 1.00 2.28 H new ATOM 0 HH11 ARG A 21 3.481 -14.878 -0.081 1.00 1.89 H new ATOM 0 HH12 ARG A 21 2.327 -16.202 -0.273 1.00 1.89 H new ATOM 0 HH21 ARG A 21 3.958 -17.591 -3.069 1.00 3.49 H new ATOM 0 HH22 ARG A 21 2.595 -17.727 -1.954 1.00 3.49 H new ATOM 298 N ASN A 22 9.931 -11.655 -2.597 1.00 0.51 N ATOM 299 CA ASN A 22 10.574 -11.309 -3.855 1.00 0.62 C ATOM 300 C ASN A 22 11.306 -9.977 -3.699 1.00 0.58 C ATOM 301 O ASN A 22 10.697 -8.953 -3.396 1.00 0.64 O ATOM 302 CB ASN A 22 9.555 -11.253 -5.002 1.00 0.87 C ATOM 303 CG ASN A 22 8.374 -10.346 -4.718 1.00 0.93 C ATOM 304 OD1 ASN A 22 8.401 -9.155 -5.018 1.00 1.77 O ATOM 305 ND2 ASN A 22 7.314 -10.913 -4.155 1.00 0.80 N ATOM 0 H ASN A 22 9.643 -10.847 -2.045 1.00 0.51 H new ATOM 0 HA ASN A 22 11.298 -12.083 -4.109 1.00 0.62 H new ATOM 0 HB2 ASN A 22 10.057 -10.910 -5.907 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.190 -12.260 -5.202 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.483 -10.356 -3.957 1.00 0.80 H new ATOM 0 HD22 ASN A 22 7.331 -11.906 -3.921 1.00 0.80 H new ATOM 312 N PRO A 23 12.635 -9.978 -3.877 1.00 0.55 N ATOM 313 CA PRO A 23 13.470 -8.814 -3.601 1.00 0.61 C ATOM 314 C PRO A 23 13.567 -7.844 -4.780 1.00 0.79 C ATOM 315 O PRO A 23 14.660 -7.471 -5.197 1.00 1.71 O ATOM 316 CB PRO A 23 14.826 -9.447 -3.330 1.00 0.66 C ATOM 317 CG PRO A 23 14.862 -10.632 -4.234 1.00 0.73 C ATOM 318 CD PRO A 23 13.437 -11.119 -4.359 1.00 0.57 C ATOM 0 HA PRO A 23 13.071 -8.209 -2.786 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.639 -8.755 -3.548 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.927 -9.740 -2.285 1.00 0.66 H new ATOM 0 HG2 PRO A 23 15.267 -10.364 -5.210 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.504 -11.412 -3.826 1.00 0.73 H new ATOM 0 HD2 PRO A 23 13.190 -11.375 -5.389 1.00 0.57 H new ATOM 0 HD3 PRO A 23 13.265 -12.012 -3.758 1.00 0.57 H new ATOM 326 N VAL A 24 12.422 -7.425 -5.289 1.00 0.39 N ATOM 327 CA VAL A 24 12.347 -6.468 -6.390 1.00 0.36 C ATOM 328 C VAL A 24 11.157 -5.545 -6.172 1.00 0.32 C ATOM 329 O VAL A 24 10.026 -6.007 -6.044 1.00 0.35 O ATOM 330 CB VAL A 24 12.190 -7.147 -7.776 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.094 -6.099 -8.885 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.338 -8.106 -8.055 1.00 0.48 C ATOM 0 H VAL A 24 11.511 -7.738 -4.952 1.00 0.39 H new ATOM 0 HA VAL A 24 13.288 -5.918 -6.394 1.00 0.36 H new ATOM 0 HB VAL A 24 11.264 -7.722 -7.758 1.00 0.42 H new ATOM 0 HG11 VAL A 24 11.984 -6.597 -9.848 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.230 -5.459 -8.707 1.00 0.43 H new ATOM 0 HG13 VAL A 24 12.999 -5.492 -8.891 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.199 -8.566 -9.034 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.281 -7.559 -8.042 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.358 -8.882 -7.290 1.00 0.48 H new ATOM 342 N SER A 25 11.420 -4.253 -6.090 1.00 0.32 N ATOM 343 CA SER A 25 10.364 -3.266 -5.941 1.00 0.32 C ATOM 344 C SER A 25 10.130 -2.558 -7.270 1.00 0.32 C ATOM 345 O SER A 25 11.039 -2.453 -8.087 1.00 0.36 O ATOM 346 CB SER A 25 10.751 -2.253 -4.858 1.00 0.42 C ATOM 347 OG SER A 25 9.758 -1.252 -4.708 1.00 1.12 O ATOM 0 H SER A 25 12.361 -3.861 -6.124 1.00 0.32 H new ATOM 0 HA SER A 25 9.442 -3.764 -5.642 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.895 -2.770 -3.909 1.00 0.42 H new ATOM 0 HB3 SER A 25 11.703 -1.788 -5.116 1.00 0.42 H new ATOM 0 HG SER A 25 10.032 -0.622 -4.009 1.00 1.12 H new ATOM 353 N ARG A 26 8.910 -2.075 -7.489 1.00 0.32 N ATOM 354 CA ARG A 26 8.607 -1.268 -8.669 1.00 0.34 C ATOM 355 C ARG A 26 9.213 0.118 -8.498 1.00 0.37 C ATOM 356 O ARG A 26 9.259 0.918 -9.431 1.00 0.44 O ATOM 357 CB ARG A 26 7.097 -1.184 -8.904 1.00 0.39 C ATOM 358 CG ARG A 26 6.709 -0.746 -10.307 1.00 0.52 C ATOM 359 CD ARG A 26 7.416 -1.579 -11.368 1.00 0.82 C ATOM 360 NE ARG A 26 6.876 -1.344 -12.707 1.00 1.21 N ATOM 361 CZ ARG A 26 7.618 -1.104 -13.791 1.00 1.88 C ATOM 362 NH1 ARG A 26 8.940 -1.006 -13.696 1.00 2.47 N ATOM 363 NH2 ARG A 26 7.027 -0.944 -14.970 1.00 2.54 N ATOM 0 H ARG A 26 8.116 -2.227 -6.867 1.00 0.32 H new ATOM 0 HA ARG A 26 9.044 -1.742 -9.548 1.00 0.34 H new ATOM 0 HB2 ARG A 26 6.655 -2.160 -8.705 1.00 0.39 H new ATOM 0 HB3 ARG A 26 6.667 -0.486 -8.185 1.00 0.39 H new ATOM 0 HG2 ARG A 26 5.630 -0.836 -10.432 1.00 0.52 H new ATOM 0 HG3 ARG A 26 6.959 0.306 -10.443 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.481 -1.345 -11.361 1.00 0.82 H new ATOM 0 HD3 ARG A 26 7.321 -2.636 -11.120 1.00 0.82 H new ATOM 0 HE ARG A 26 5.863 -1.365 -12.821 1.00 1.21 H new ATOM 0 HH11 ARG A 26 9.396 -1.114 -12.790 1.00 2.47 H new ATOM 0 HH12 ARG A 26 9.499 -0.823 -14.529 1.00 2.47 H new ATOM 0 HH21 ARG A 26 6.011 -1.005 -15.044 1.00 2.54 H new ATOM 0 HH22 ARG A 26 7.589 -0.760 -15.801 1.00 2.54 H new ATOM 377 N ARG A 27 9.689 0.384 -7.287 1.00 0.36 N ATOM 378 CA ARG A 27 10.412 1.612 -6.994 1.00 0.44 C ATOM 379 C ARG A 27 11.853 1.485 -7.466 1.00 0.53 C ATOM 380 O ARG A 27 12.442 2.436 -7.972 1.00 0.73 O ATOM 381 CB ARG A 27 10.412 1.887 -5.491 1.00 0.52 C ATOM 382 CG ARG A 27 10.747 3.324 -5.138 1.00 0.55 C ATOM 383 CD ARG A 27 11.576 3.422 -3.869 1.00 0.70 C ATOM 384 NE ARG A 27 12.978 3.095 -4.114 1.00 0.91 N ATOM 385 CZ ARG A 27 13.829 2.686 -3.175 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.419 2.513 -1.925 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.097 2.456 -3.492 1.00 1.63 N ATOM 0 H ARG A 27 9.585 -0.241 -6.488 1.00 0.36 H new ATOM 0 HA ARG A 27 9.918 2.433 -7.513 1.00 0.44 H new ATOM 0 HB2 ARG A 27 9.431 1.641 -5.085 1.00 0.52 H new ATOM 0 HB3 ARG A 27 11.132 1.226 -5.009 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.293 3.782 -5.963 1.00 0.55 H new ATOM 0 HG3 ARG A 27 9.824 3.891 -5.012 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.503 4.431 -3.464 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.171 2.746 -3.116 1.00 0.70 H new ATOM 0 HE ARG A 27 13.329 3.186 -5.068 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.446 2.694 -1.678 1.00 1.77 H new ATOM 0 HH12 ARG A 27 14.077 2.199 -1.211 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.416 2.593 -4.451 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.753 2.143 -2.776 1.00 1.63 H new ATOM 401 N THR A 28 12.413 0.296 -7.288 1.00 0.45 N ATOM 402 CA THR A 28 13.808 0.050 -7.608 1.00 0.53 C ATOM 403 C THR A 28 13.957 -0.500 -9.016 1.00 0.55 C ATOM 404 O THR A 28 14.937 -0.230 -9.706 1.00 0.67 O ATOM 405 CB THR A 28 14.419 -0.959 -6.615 1.00 0.55 C ATOM 406 OG1 THR A 28 13.672 -2.187 -6.636 1.00 0.55 O ATOM 407 CG2 THR A 28 14.405 -0.397 -5.208 1.00 0.53 C ATOM 0 H THR A 28 11.917 -0.516 -6.921 1.00 0.45 H new ATOM 0 HA THR A 28 14.332 1.003 -7.538 1.00 0.53 H new ATOM 0 HB THR A 28 15.449 -1.149 -6.916 1.00 0.55 H new ATOM 0 HG1 THR A 28 14.198 -2.882 -7.084 1.00 0.55 H new ATOM 0 HG21 THR A 28 14.840 -1.123 -4.522 1.00 0.53 H new ATOM 0 HG22 THR A 28 14.987 0.524 -5.178 1.00 0.53 H new ATOM 0 HG23 THR A 28 13.378 -0.187 -4.910 1.00 0.53 H new ATOM 415 N GLY A 29 12.976 -1.287 -9.420 1.00 0.47 N ATOM 416 CA GLY A 29 13.004 -1.932 -10.719 1.00 0.52 C ATOM 417 C GLY A 29 13.841 -3.189 -10.693 1.00 0.58 C ATOM 418 O GLY A 29 13.489 -4.198 -11.307 1.00 0.82 O ATOM 0 H GLY A 29 12.147 -1.495 -8.864 1.00 0.47 H new ATOM 0 HA2 GLY A 29 11.988 -2.176 -11.027 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.405 -1.242 -11.461 1.00 0.52 H new ATOM 422 N ASP A 30 14.950 -3.123 -9.975 1.00 0.53 N ATOM 423 CA ASP A 30 15.806 -4.260 -9.764 1.00 0.58 C ATOM 424 C ASP A 30 15.645 -4.721 -8.327 1.00 0.55 C ATOM 425 O ASP A 30 14.546 -4.681 -7.775 1.00 0.84 O ATOM 426 CB ASP A 30 17.269 -3.897 -10.046 1.00 0.67 C ATOM 427 CG ASP A 30 17.508 -3.468 -11.477 1.00 1.31 C ATOM 428 OD1 ASP A 30 17.506 -4.339 -12.373 1.00 1.69 O ATOM 429 OD2 ASP A 30 17.687 -2.255 -11.720 1.00 2.10 O ATOM 0 H ASP A 30 15.277 -2.269 -9.522 1.00 0.53 H new ATOM 0 HA ASP A 30 15.526 -5.062 -10.447 1.00 0.58 H new ATOM 0 HB2 ASP A 30 17.573 -3.093 -9.376 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.901 -4.756 -9.820 1.00 0.67 H new ATOM 434 N SER A 31 16.739 -5.080 -7.703 1.00 0.53 N ATOM 435 CA SER A 31 16.699 -5.687 -6.393 1.00 0.50 C ATOM 436 C SER A 31 16.403 -4.666 -5.308 1.00 0.42 C ATOM 437 O SER A 31 16.950 -3.563 -5.302 1.00 0.48 O ATOM 438 CB SER A 31 18.018 -6.397 -6.103 1.00 0.62 C ATOM 439 OG SER A 31 19.120 -5.659 -6.612 1.00 1.08 O ATOM 0 H SER A 31 17.678 -4.961 -8.084 1.00 0.53 H new ATOM 0 HA SER A 31 15.889 -6.416 -6.390 1.00 0.50 H new ATOM 0 HB2 SER A 31 18.133 -6.532 -5.028 1.00 0.62 H new ATOM 0 HB3 SER A 31 18.005 -7.391 -6.550 1.00 0.62 H new ATOM 0 HG SER A 31 19.953 -6.135 -6.411 1.00 1.08 H new ATOM 445 N THR A 32 15.509 -5.037 -4.411 1.00 0.34 N ATOM 446 CA THR A 32 15.303 -4.290 -3.191 1.00 0.29 C ATOM 447 C THR A 32 15.903 -5.101 -2.043 1.00 0.27 C ATOM 448 O THR A 32 15.456 -5.050 -0.898 1.00 0.28 O ATOM 449 CB THR A 32 13.798 -4.002 -2.981 1.00 0.27 C ATOM 450 OG1 THR A 32 13.576 -3.159 -1.852 1.00 0.27 O ATOM 451 CG2 THR A 32 13.006 -5.286 -2.813 1.00 0.29 C ATOM 0 H THR A 32 14.911 -5.858 -4.508 1.00 0.34 H new ATOM 0 HA THR A 32 15.797 -3.319 -3.239 1.00 0.29 H new ATOM 0 HB THR A 32 13.452 -3.486 -3.877 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.690 -3.343 -1.476 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.952 -5.047 -2.667 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.119 -5.902 -3.705 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.377 -5.832 -1.946 1.00 0.29 H new ATOM 459 N ALA A 33 16.956 -5.839 -2.391 1.00 0.31 N ATOM 460 CA ALA A 33 17.585 -6.801 -1.498 1.00 0.32 C ATOM 461 C ALA A 33 18.568 -6.137 -0.535 1.00 0.34 C ATOM 462 O ALA A 33 19.133 -6.792 0.342 1.00 0.37 O ATOM 463 CB ALA A 33 18.286 -7.870 -2.318 1.00 0.37 C ATOM 0 H ALA A 33 17.397 -5.783 -3.309 1.00 0.31 H new ATOM 0 HA ALA A 33 16.803 -7.256 -0.890 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.757 -8.591 -1.650 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.558 -8.381 -2.948 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.047 -7.406 -2.946 1.00 0.37 H new ATOM 469 N ASP A 34 18.785 -4.848 -0.710 1.00 0.35 N ATOM 470 CA ASP A 34 19.683 -4.102 0.165 1.00 0.40 C ATOM 471 C ASP A 34 18.904 -3.378 1.252 1.00 0.36 C ATOM 472 O ASP A 34 19.441 -3.067 2.315 1.00 0.43 O ATOM 473 CB ASP A 34 20.524 -3.108 -0.638 1.00 0.49 C ATOM 474 CG ASP A 34 21.715 -3.767 -1.306 1.00 1.29 C ATOM 475 OD1 ASP A 34 21.534 -4.359 -2.393 1.00 2.21 O ATOM 476 OD2 ASP A 34 22.836 -3.693 -0.757 1.00 1.31 O ATOM 0 H ASP A 34 18.354 -4.291 -1.448 1.00 0.35 H new ATOM 0 HA ASP A 34 20.355 -4.816 0.641 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.899 -2.638 -1.397 1.00 0.49 H new ATOM 0 HB3 ASP A 34 20.874 -2.315 0.023 1.00 0.49 H new ATOM 481 N VAL A 35 17.631 -3.134 0.990 1.00 0.31 N ATOM 482 CA VAL A 35 16.762 -2.465 1.947 1.00 0.28 C ATOM 483 C VAL A 35 16.089 -3.504 2.840 1.00 0.25 C ATOM 484 O VAL A 35 15.644 -4.548 2.364 1.00 0.25 O ATOM 485 CB VAL A 35 15.713 -1.558 1.239 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.640 -1.859 -0.251 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.337 -1.691 1.878 1.00 0.26 C ATOM 0 H VAL A 35 17.172 -3.391 0.116 1.00 0.31 H new ATOM 0 HA VAL A 35 17.371 -1.808 2.568 1.00 0.28 H new ATOM 0 HB VAL A 35 16.043 -0.527 1.364 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.899 -1.210 -0.717 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.615 -1.683 -0.706 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.354 -2.900 -0.398 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.630 -1.044 1.358 1.00 0.26 H new ATOM 0 HG22 VAL A 35 14.001 -2.726 1.807 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.393 -1.399 2.927 1.00 0.26 H new ATOM 497 N THR A 36 16.043 -3.228 4.135 1.00 0.25 N ATOM 498 CA THR A 36 15.506 -4.171 5.099 1.00 0.27 C ATOM 499 C THR A 36 14.043 -3.872 5.355 1.00 0.23 C ATOM 500 O THR A 36 13.513 -2.910 4.808 1.00 0.20 O ATOM 501 CB THR A 36 16.266 -4.092 6.433 1.00 0.31 C ATOM 502 OG1 THR A 36 16.195 -2.756 6.951 1.00 0.30 O ATOM 503 CG2 THR A 36 17.719 -4.500 6.255 1.00 0.39 C ATOM 0 H THR A 36 16.374 -2.353 4.542 1.00 0.25 H new ATOM 0 HA THR A 36 15.619 -5.172 4.684 1.00 0.27 H new ATOM 0 HB THR A 36 15.801 -4.782 7.137 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.935 -2.225 6.589 1.00 0.30 H new ATOM 0 HG21 THR A 36 18.235 -4.436 7.213 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.767 -5.524 5.885 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.199 -3.833 5.539 1.00 0.39 H new ATOM 511 N TYR A 37 13.387 -4.663 6.191 1.00 0.26 N ATOM 512 CA TYR A 37 12.017 -4.354 6.562 1.00 0.27 C ATOM 513 C TYR A 37 11.997 -3.040 7.342 1.00 0.23 C ATOM 514 O TYR A 37 11.015 -2.307 7.319 1.00 0.23 O ATOM 515 CB TYR A 37 11.378 -5.498 7.367 1.00 0.38 C ATOM 516 CG TYR A 37 11.698 -5.504 8.846 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.943 -5.906 9.316 1.00 0.68 C ATOM 518 CD2 TYR A 37 10.741 -5.118 9.775 1.00 1.16 C ATOM 519 CE1 TYR A 37 13.223 -5.919 10.669 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.014 -5.126 11.127 1.00 1.53 C ATOM 521 CZ TYR A 37 12.257 -5.528 11.569 1.00 1.12 C ATOM 522 OH TYR A 37 12.532 -5.535 12.918 1.00 1.50 O ATOM 0 H TYR A 37 13.772 -5.506 6.617 1.00 0.26 H new ATOM 0 HA TYR A 37 11.419 -4.242 5.658 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.296 -5.445 7.246 1.00 0.38 H new ATOM 0 HB3 TYR A 37 11.701 -6.447 6.938 1.00 0.38 H new ATOM 0 HD1 TYR A 37 13.703 -6.213 8.613 1.00 0.68 H new ATOM 0 HD2 TYR A 37 9.765 -4.806 9.433 1.00 1.16 H new ATOM 0 HE1 TYR A 37 14.195 -6.234 11.019 1.00 0.74 H new ATOM 0 HE2 TYR A 37 10.259 -4.819 11.835 1.00 1.53 H new ATOM 0 HH TYR A 37 11.744 -5.230 13.414 1.00 1.50 H new ATOM 532 N GLU A 38 13.120 -2.731 7.991 1.00 0.23 N ATOM 533 CA GLU A 38 13.273 -1.480 8.723 1.00 0.24 C ATOM 534 C GLU A 38 13.377 -0.320 7.748 1.00 0.24 C ATOM 535 O GLU A 38 12.652 0.666 7.865 1.00 0.26 O ATOM 536 CB GLU A 38 14.523 -1.517 9.602 1.00 0.29 C ATOM 537 CG GLU A 38 14.533 -2.641 10.618 1.00 0.35 C ATOM 538 CD GLU A 38 15.778 -2.626 11.477 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.805 -3.190 11.054 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.735 -2.050 12.583 1.00 0.93 O ATOM 0 H GLU A 38 13.940 -3.336 8.023 1.00 0.23 H new ATOM 0 HA GLU A 38 12.399 -1.347 9.360 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.401 -1.612 8.963 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.613 -0.566 10.127 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.653 -2.559 11.256 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.463 -3.597 10.100 1.00 0.35 H new ATOM 547 N ASP A 39 14.276 -0.456 6.775 1.00 0.24 N ATOM 548 CA ASP A 39 14.441 0.555 5.732 1.00 0.26 C ATOM 549 C ASP A 39 13.133 0.737 4.984 1.00 0.22 C ATOM 550 O ASP A 39 12.749 1.849 4.624 1.00 0.23 O ATOM 551 CB ASP A 39 15.531 0.143 4.737 1.00 0.31 C ATOM 552 CG ASP A 39 16.933 0.228 5.296 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.509 1.333 5.289 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.474 -0.816 5.717 1.00 0.82 O ATOM 0 H ASP A 39 14.902 -1.257 6.687 1.00 0.24 H new ATOM 0 HA ASP A 39 14.734 1.490 6.209 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.342 -0.879 4.409 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.463 0.779 3.854 1.00 0.31 H new ATOM 559 N ALA A 40 12.450 -0.376 4.782 1.00 0.19 N ATOM 560 CA ALA A 40 11.188 -0.394 4.059 1.00 0.18 C ATOM 561 C ALA A 40 10.109 0.336 4.843 1.00 0.16 C ATOM 562 O ALA A 40 9.361 1.140 4.287 1.00 0.17 O ATOM 563 CB ALA A 40 10.760 -1.824 3.775 1.00 0.18 C ATOM 0 H ALA A 40 12.753 -1.292 5.113 1.00 0.19 H new ATOM 0 HA ALA A 40 11.330 0.122 3.109 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.814 -1.820 3.234 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.521 -2.319 3.172 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.637 -2.361 4.716 1.00 0.18 H new ATOM 569 N ILE A 41 10.029 0.051 6.139 1.00 0.16 N ATOM 570 CA ILE A 41 9.095 0.746 7.011 1.00 0.18 C ATOM 571 C ILE A 41 9.439 2.221 7.068 1.00 0.20 C ATOM 572 O ILE A 41 8.552 3.076 7.079 1.00 0.21 O ATOM 573 CB ILE A 41 9.077 0.152 8.442 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.449 -1.245 8.438 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.321 1.068 9.396 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.467 -1.929 9.787 1.00 0.30 C ATOM 0 H ILE A 41 10.599 -0.655 6.605 1.00 0.16 H new ATOM 0 HA ILE A 41 8.098 0.616 6.590 1.00 0.18 H new ATOM 0 HB ILE A 41 10.107 0.068 8.787 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.417 -1.168 8.094 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.979 -1.869 7.718 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.320 0.632 10.395 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.807 2.043 9.426 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.294 1.185 9.051 1.00 0.27 H new ATOM 0 HD11 ILE A 41 8.005 -2.913 9.702 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.497 -2.040 10.125 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.912 -1.328 10.507 1.00 0.30 H new ATOM 588 N LYS A 42 10.731 2.520 7.052 1.00 0.22 N ATOM 589 CA LYS A 42 11.179 3.898 7.093 1.00 0.28 C ATOM 590 C LYS A 42 10.826 4.624 5.804 1.00 0.28 C ATOM 591 O LYS A 42 10.812 5.851 5.752 1.00 0.37 O ATOM 592 CB LYS A 42 12.662 3.981 7.375 1.00 0.31 C ATOM 593 CG LYS A 42 12.970 3.767 8.842 1.00 0.85 C ATOM 594 CD LYS A 42 12.340 4.835 9.734 1.00 1.14 C ATOM 595 CE LYS A 42 12.917 6.219 9.469 1.00 1.46 C ATOM 596 NZ LYS A 42 14.324 6.335 9.934 1.00 2.32 N ATOM 0 H LYS A 42 11.480 1.829 7.011 1.00 0.22 H new ATOM 0 HA LYS A 42 10.657 4.395 7.911 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.187 3.233 6.781 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.037 4.956 7.064 1.00 0.31 H new ATOM 0 HG2 LYS A 42 12.609 2.785 9.146 1.00 0.85 H new ATOM 0 HG3 LYS A 42 14.050 3.768 8.987 1.00 0.85 H new ATOM 0 HD2 LYS A 42 11.263 4.855 9.569 1.00 1.14 H new ATOM 0 HD3 LYS A 42 12.498 4.572 10.780 1.00 1.14 H new ATOM 0 HE2 LYS A 42 12.869 6.433 8.401 1.00 1.46 H new ATOM 0 HE3 LYS A 42 12.306 6.969 9.972 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 14.650 7.315 9.812 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 14.380 6.074 10.939 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 14.928 5.697 9.376 1.00 2.32 H new ATOM 610 N GLU A 43 10.536 3.852 4.769 1.00 0.22 N ATOM 611 CA GLU A 43 10.097 4.407 3.502 1.00 0.25 C ATOM 612 C GLU A 43 8.582 4.560 3.507 1.00 0.18 C ATOM 613 O GLU A 43 8.057 5.655 3.296 1.00 0.18 O ATOM 614 CB GLU A 43 10.549 3.521 2.334 1.00 0.33 C ATOM 615 CG GLU A 43 9.774 3.764 1.046 1.00 0.34 C ATOM 616 CD GLU A 43 10.657 3.831 -0.179 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.110 2.761 -0.642 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.913 4.943 -0.676 1.00 0.94 O ATOM 0 H GLU A 43 10.598 2.834 4.784 1.00 0.22 H new ATOM 0 HA GLU A 43 10.551 5.389 3.371 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.609 3.693 2.148 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.442 2.475 2.620 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.042 2.967 0.915 1.00 0.34 H new ATOM 0 HG3 GLU A 43 9.217 4.697 1.136 1.00 0.34 H new ATOM 625 N LEU A 44 7.893 3.457 3.789 1.00 0.16 N ATOM 626 CA LEU A 44 6.436 3.431 3.763 1.00 0.15 C ATOM 627 C LEU A 44 5.856 4.454 4.736 1.00 0.14 C ATOM 628 O LEU A 44 4.844 5.089 4.445 1.00 0.16 O ATOM 629 CB LEU A 44 5.914 2.028 4.104 1.00 0.13 C ATOM 630 CG LEU A 44 4.408 1.831 3.897 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.046 1.993 2.433 1.00 0.17 C ATOM 632 CD2 LEU A 44 3.967 0.464 4.390 1.00 0.14 C ATOM 0 H LEU A 44 8.324 2.567 4.039 1.00 0.16 H new ATOM 0 HA LEU A 44 6.114 3.691 2.754 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.448 1.299 3.494 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.154 1.810 5.145 1.00 0.13 H new ATOM 0 HG LEU A 44 3.888 2.594 4.477 1.00 0.15 H new ATOM 0 HD11 LEU A 44 2.973 1.850 2.305 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.321 2.993 2.099 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.584 1.252 1.841 1.00 0.17 H new ATOM 0 HD21 LEU A 44 2.895 0.349 4.232 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.500 -0.311 3.839 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.189 0.372 5.453 1.00 0.14 H new ATOM 644 N GLN A 45 6.508 4.615 5.883 1.00 0.14 N ATOM 645 CA GLN A 45 6.050 5.560 6.897 1.00 0.14 C ATOM 646 C GLN A 45 6.097 6.993 6.400 1.00 0.17 C ATOM 647 O GLN A 45 5.180 7.761 6.659 1.00 0.27 O ATOM 648 CB GLN A 45 6.864 5.418 8.182 1.00 0.16 C ATOM 649 CG GLN A 45 6.154 4.592 9.239 1.00 0.22 C ATOM 650 CD GLN A 45 4.979 5.329 9.855 1.00 0.36 C ATOM 651 OE1 GLN A 45 3.810 5.185 9.255 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.125 6.028 10.856 1.00 0.44 N flip ATOM 0 H GLN A 45 7.354 4.104 6.134 1.00 0.14 H new ATOM 0 HA GLN A 45 5.009 5.318 7.112 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.823 4.956 7.950 1.00 0.16 H new ATOM 0 HB3 GLN A 45 7.076 6.409 8.584 1.00 0.16 H new ATOM 0 HG2 GLN A 45 5.803 3.661 8.794 1.00 0.22 H new ATOM 0 HG3 GLN A 45 6.862 4.323 10.023 1.00 0.22 H new ATOM 0 HE21 GLN A 45 6.045 6.113 11.289 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.327 6.523 11.253 1.00 0.44 H new ATOM 661 N LYS A 46 7.142 7.348 5.673 1.00 0.14 N ATOM 662 CA LYS A 46 7.295 8.716 5.202 1.00 0.17 C ATOM 663 C LYS A 46 6.271 9.038 4.119 1.00 0.18 C ATOM 664 O LYS A 46 5.689 10.120 4.112 1.00 0.21 O ATOM 665 CB LYS A 46 8.716 8.963 4.693 1.00 0.22 C ATOM 666 CG LYS A 46 9.767 8.847 5.784 1.00 0.27 C ATOM 667 CD LYS A 46 11.161 9.143 5.259 1.00 0.39 C ATOM 668 CE LYS A 46 12.212 8.981 6.347 1.00 0.49 C ATOM 669 NZ LYS A 46 11.977 9.899 7.495 1.00 1.31 N ATOM 0 H LYS A 46 7.892 6.715 5.397 1.00 0.14 H new ATOM 0 HA LYS A 46 7.116 9.382 6.046 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.942 8.248 3.902 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.769 9.957 4.249 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.529 9.538 6.593 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.743 7.842 6.206 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.388 8.474 4.429 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.195 10.159 4.867 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.210 7.950 6.702 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.200 9.172 5.927 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.814 9.904 8.112 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 11.802 10.861 7.140 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.150 9.574 8.036 1.00 1.31 H new ATOM 683 N TRP A 47 6.044 8.100 3.207 1.00 0.16 N ATOM 684 CA TRP A 47 5.028 8.286 2.178 1.00 0.19 C ATOM 685 C TRP A 47 3.634 8.314 2.798 1.00 0.19 C ATOM 686 O TRP A 47 2.838 9.196 2.491 1.00 0.22 O ATOM 687 CB TRP A 47 5.139 7.201 1.107 1.00 0.20 C ATOM 688 CG TRP A 47 6.495 7.171 0.479 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.338 6.104 0.391 1.00 0.18 C ATOM 690 CD2 TRP A 47 7.181 8.276 -0.121 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.509 6.478 -0.224 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.435 7.806 -0.546 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.857 9.618 -0.339 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.363 8.627 -1.172 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.780 10.432 -0.964 1.00 0.52 C ATOM 696 CH2 TRP A 47 9.021 9.935 -1.373 1.00 0.52 C ATOM 0 H TRP A 47 6.544 7.212 3.158 1.00 0.16 H new ATOM 0 HA TRP A 47 5.197 9.248 1.695 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.924 6.229 1.552 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.387 7.373 0.337 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.118 5.110 0.752 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.303 5.866 -0.410 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.902 10.011 -0.024 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.322 8.245 -1.489 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.540 11.470 -1.140 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.723 10.597 -1.857 1.00 0.52 H new ATOM 707 N SER A 48 3.364 7.368 3.692 1.00 0.17 N ATOM 708 CA SER A 48 2.106 7.332 4.430 1.00 0.19 C ATOM 709 C SER A 48 1.925 8.641 5.205 1.00 0.20 C ATOM 710 O SER A 48 0.825 9.192 5.275 1.00 0.28 O ATOM 711 CB SER A 48 2.102 6.120 5.380 1.00 0.23 C ATOM 712 OG SER A 48 0.868 5.977 6.066 1.00 0.82 O ATOM 0 H SER A 48 4.006 6.610 3.924 1.00 0.17 H new ATOM 0 HA SER A 48 1.272 7.228 3.736 1.00 0.19 H new ATOM 0 HB2 SER A 48 2.305 5.214 4.810 1.00 0.23 H new ATOM 0 HB3 SER A 48 2.908 6.227 6.106 1.00 0.23 H new ATOM 0 HG SER A 48 0.910 5.195 6.656 1.00 0.82 H new ATOM 718 N GLN A 49 3.026 9.141 5.756 1.00 0.17 N ATOM 719 CA GLN A 49 3.041 10.411 6.469 1.00 0.17 C ATOM 720 C GLN A 49 2.636 11.555 5.549 1.00 0.18 C ATOM 721 O GLN A 49 1.743 12.337 5.873 1.00 0.21 O ATOM 722 CB GLN A 49 4.441 10.684 7.014 1.00 0.19 C ATOM 723 CG GLN A 49 4.503 11.871 7.952 1.00 0.23 C ATOM 724 CD GLN A 49 5.920 12.355 8.171 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.609 11.906 9.087 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.365 13.279 7.334 1.00 0.45 N ATOM 0 H GLN A 49 3.933 8.676 5.720 1.00 0.17 H new ATOM 0 HA GLN A 49 2.327 10.346 7.290 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.797 9.797 7.539 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.120 10.855 6.179 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.902 12.684 7.546 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.062 11.597 8.911 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.761 13.624 6.588 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.311 13.645 7.435 1.00 0.45 H new ATOM 735 N ARG A 50 3.302 11.639 4.403 1.00 0.16 N ATOM 736 CA ARG A 50 3.073 12.718 3.449 1.00 0.16 C ATOM 737 C ARG A 50 1.673 12.652 2.856 1.00 0.14 C ATOM 738 O ARG A 50 1.026 13.679 2.670 1.00 0.15 O ATOM 739 CB ARG A 50 4.102 12.666 2.327 1.00 0.15 C ATOM 740 CG ARG A 50 5.523 12.953 2.768 1.00 0.19 C ATOM 741 CD ARG A 50 6.488 12.743 1.619 1.00 0.20 C ATOM 742 NE ARG A 50 7.872 13.002 1.998 1.00 0.27 N ATOM 743 CZ ARG A 50 8.831 13.316 1.132 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.542 13.454 -0.156 1.00 0.35 N ATOM 745 NH2 ARG A 50 10.073 13.502 1.555 1.00 0.42 N ATOM 0 H ARG A 50 4.011 10.967 4.110 1.00 0.16 H new ATOM 0 HA ARG A 50 3.174 13.658 3.992 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.070 11.679 1.866 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.820 13.386 1.558 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.597 13.978 3.130 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.791 12.301 3.599 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.399 11.719 1.257 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.212 13.398 0.793 1.00 0.20 H new ATOM 0 HE ARG A 50 8.119 12.939 2.986 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.585 13.319 -0.481 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.277 13.695 -0.821 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.294 13.404 2.546 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.808 13.743 0.890 1.00 0.42 H new ATOM 759 N ILE A 51 1.221 11.449 2.539 1.00 0.13 N ATOM 760 CA ILE A 51 -0.135 11.244 2.049 1.00 0.13 C ATOM 761 C ILE A 51 -1.152 11.705 3.096 1.00 0.16 C ATOM 762 O ILE A 51 -2.182 12.297 2.767 1.00 0.20 O ATOM 763 CB ILE A 51 -0.379 9.758 1.695 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.546 9.324 0.553 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.831 9.521 1.315 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.489 7.840 0.255 1.00 0.13 C ATOM 0 H ILE A 51 1.775 10.596 2.612 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.260 11.837 1.143 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.156 9.158 2.577 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.281 9.877 -0.348 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.571 9.596 0.804 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.976 8.469 1.071 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.475 9.791 2.152 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -2.085 10.133 0.449 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.169 7.607 -0.564 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.783 7.279 1.142 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.527 7.564 -0.028 1.00 0.13 H new ATOM 778 N ALA A 52 -0.839 11.446 4.360 1.00 0.16 N ATOM 779 CA ALA A 52 -1.698 11.844 5.465 1.00 0.20 C ATOM 780 C ALA A 52 -1.678 13.357 5.680 1.00 0.22 C ATOM 781 O ALA A 52 -2.697 13.950 6.043 1.00 0.27 O ATOM 782 CB ALA A 52 -1.271 11.124 6.736 1.00 0.21 C ATOM 0 H ALA A 52 0.010 10.958 4.645 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.721 11.562 5.215 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -1.918 11.426 7.560 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.350 10.047 6.588 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.239 11.383 6.971 1.00 0.21 H new ATOM 788 N SER A 53 -0.524 13.980 5.460 1.00 0.22 N ATOM 789 CA SER A 53 -0.374 15.412 5.692 1.00 0.26 C ATOM 790 C SER A 53 -0.851 16.228 4.494 1.00 0.28 C ATOM 791 O SER A 53 -1.356 17.341 4.649 1.00 0.35 O ATOM 792 CB SER A 53 1.091 15.739 5.992 1.00 0.28 C ATOM 793 OG SER A 53 1.943 15.202 4.994 1.00 0.26 O ATOM 0 H SER A 53 0.319 13.516 5.122 1.00 0.22 H new ATOM 0 HA SER A 53 -0.994 15.679 6.548 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.223 16.820 6.046 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.366 15.335 6.966 1.00 0.28 H new ATOM 0 HG SER A 53 2.877 15.378 5.232 1.00 0.26 H new ATOM 799 N GLY A 54 -0.708 15.665 3.303 1.00 0.25 N ATOM 800 CA GLY A 54 -1.108 16.365 2.102 1.00 0.28 C ATOM 801 C GLY A 54 0.088 16.843 1.304 1.00 0.26 C ATOM 802 O GLY A 54 -0.061 17.552 0.305 1.00 0.30 O ATOM 0 H GLY A 54 -0.321 14.734 3.148 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.718 15.706 1.484 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.731 17.218 2.369 1.00 0.28 H new ATOM 806 N GLU A 55 1.278 16.462 1.756 1.00 0.23 N ATOM 807 CA GLU A 55 2.512 16.791 1.055 1.00 0.23 C ATOM 808 C GLU A 55 2.483 16.198 -0.349 1.00 0.20 C ATOM 809 O GLU A 55 2.666 16.905 -1.340 1.00 0.24 O ATOM 810 CB GLU A 55 3.717 16.269 1.839 1.00 0.24 C ATOM 811 CG GLU A 55 3.911 16.968 3.176 1.00 0.42 C ATOM 812 CD GLU A 55 4.978 16.317 4.031 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.179 16.554 3.770 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.624 15.564 4.961 1.00 0.65 O ATOM 0 H GLU A 55 1.413 15.922 2.610 1.00 0.23 H new ATOM 0 HA GLU A 55 2.601 17.874 0.973 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.595 15.199 2.010 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.617 16.395 1.237 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.179 18.010 3.000 1.00 0.42 H new ATOM 0 HG3 GLU A 55 2.967 16.969 3.720 1.00 0.42 H new ATOM 821 N VAL A 56 2.225 14.902 -0.425 1.00 0.17 N ATOM 822 CA VAL A 56 2.020 14.231 -1.700 1.00 0.15 C ATOM 823 C VAL A 56 0.744 13.418 -1.638 1.00 0.15 C ATOM 824 O VAL A 56 0.342 12.962 -0.567 1.00 0.19 O ATOM 825 CB VAL A 56 3.188 13.295 -2.100 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.430 14.091 -2.458 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.495 12.298 -0.999 1.00 0.15 C ATOM 0 H VAL A 56 2.152 14.290 0.387 1.00 0.17 H new ATOM 0 HA VAL A 56 1.960 15.013 -2.457 1.00 0.15 H new ATOM 0 HB VAL A 56 2.873 12.739 -2.983 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.233 13.408 -2.734 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.210 14.751 -3.297 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.740 14.687 -1.600 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.319 11.655 -1.309 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.774 12.833 -0.091 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.613 11.688 -0.804 1.00 0.15 H new ATOM 837 N SER A 57 0.104 13.248 -2.776 1.00 0.13 N ATOM 838 CA SER A 57 -1.120 12.482 -2.840 1.00 0.15 C ATOM 839 C SER A 57 -0.788 11.001 -2.882 1.00 0.15 C ATOM 840 O SER A 57 0.335 10.635 -3.247 1.00 0.18 O ATOM 841 CB SER A 57 -1.927 12.880 -4.075 1.00 0.22 C ATOM 842 OG SER A 57 -1.986 14.290 -4.208 1.00 0.97 O ATOM 0 H SER A 57 0.413 13.631 -3.670 1.00 0.13 H new ATOM 0 HA SER A 57 -1.721 12.689 -1.955 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.474 12.445 -4.966 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.936 12.475 -4.001 1.00 0.22 H new ATOM 0 HG SER A 57 -2.506 14.522 -5.006 1.00 0.97 H new ATOM 848 N PHE A 58 -1.737 10.157 -2.506 1.00 0.16 N ATOM 849 CA PHE A 58 -1.521 8.718 -2.521 1.00 0.16 C ATOM 850 C PHE A 58 -1.021 8.290 -3.898 1.00 0.18 C ATOM 851 O PHE A 58 -0.055 7.533 -4.016 1.00 0.19 O ATOM 852 CB PHE A 58 -2.816 7.982 -2.172 1.00 0.18 C ATOM 853 CG PHE A 58 -2.598 6.631 -1.551 1.00 0.17 C ATOM 854 CD1 PHE A 58 -2.021 5.603 -2.274 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.975 6.391 -0.239 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.822 4.363 -1.703 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.778 5.152 0.339 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.201 4.137 -0.395 1.00 0.22 C ATOM 0 H PHE A 58 -2.663 10.443 -2.187 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.770 8.462 -1.774 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.399 8.597 -1.486 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.411 7.863 -3.078 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.723 5.773 -3.298 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.429 7.183 0.339 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.370 3.569 -2.279 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -3.075 4.979 1.363 1.00 0.21 H new ATOM 0 HZ PHE A 58 -2.046 3.167 0.053 1.00 0.22 H new ATOM 868 N GLU A 59 -1.663 8.836 -4.927 1.00 0.20 N ATOM 869 CA GLU A 59 -1.312 8.550 -6.314 1.00 0.22 C ATOM 870 C GLU A 59 0.157 8.853 -6.607 1.00 0.24 C ATOM 871 O GLU A 59 0.846 8.044 -7.230 1.00 0.31 O ATOM 872 CB GLU A 59 -2.204 9.363 -7.257 1.00 0.27 C ATOM 873 CG GLU A 59 -3.678 9.016 -7.147 1.00 0.36 C ATOM 874 CD GLU A 59 -4.543 9.831 -8.086 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.438 9.642 -9.316 1.00 1.72 O ATOM 876 OE2 GLU A 59 -5.331 10.669 -7.600 1.00 0.96 O ATOM 0 H GLU A 59 -2.440 9.488 -4.823 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.471 7.484 -6.479 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -2.072 10.424 -7.044 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.876 9.201 -8.284 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -3.814 7.956 -7.362 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -4.010 9.178 -6.121 1.00 0.36 H new ATOM 883 N GLU A 60 0.633 10.008 -6.141 1.00 0.23 N ATOM 884 CA GLU A 60 1.995 10.447 -6.437 1.00 0.24 C ATOM 885 C GLU A 60 3.014 9.492 -5.833 1.00 0.23 C ATOM 886 O GLU A 60 3.954 9.065 -6.500 1.00 0.26 O ATOM 887 CB GLU A 60 2.245 11.864 -5.908 1.00 0.25 C ATOM 888 CG GLU A 60 1.247 12.893 -6.416 1.00 0.29 C ATOM 889 CD GLU A 60 1.197 12.970 -7.928 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.171 13.460 -8.534 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.190 12.526 -8.520 1.00 2.09 O ATOM 0 H GLU A 60 0.098 10.653 -5.560 1.00 0.23 H new ATOM 0 HA GLU A 60 2.109 10.451 -7.521 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.212 11.846 -4.819 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.250 12.176 -6.191 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.255 12.647 -6.037 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.508 13.873 -6.016 1.00 0.29 H new ATOM 898 N ALA A 61 2.818 9.151 -4.569 1.00 0.22 N ATOM 899 CA ALA A 61 3.734 8.256 -3.884 1.00 0.23 C ATOM 900 C ALA A 61 3.654 6.852 -4.467 1.00 0.22 C ATOM 901 O ALA A 61 4.676 6.237 -4.757 1.00 0.26 O ATOM 902 CB ALA A 61 3.449 8.231 -2.390 1.00 0.24 C ATOM 0 H ALA A 61 2.037 9.479 -4.000 1.00 0.22 H new ATOM 0 HA ALA A 61 4.747 8.631 -4.032 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.147 7.554 -1.898 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.566 9.234 -1.980 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.429 7.887 -2.220 1.00 0.24 H new ATOM 908 N ALA A 62 2.437 6.365 -4.663 1.00 0.20 N ATOM 909 CA ALA A 62 2.221 5.007 -5.145 1.00 0.20 C ATOM 910 C ALA A 62 2.857 4.778 -6.514 1.00 0.21 C ATOM 911 O ALA A 62 3.636 3.850 -6.690 1.00 0.24 O ATOM 912 CB ALA A 62 0.735 4.701 -5.193 1.00 0.20 C ATOM 0 H ALA A 62 1.580 6.892 -4.495 1.00 0.20 H new ATOM 0 HA ALA A 62 2.706 4.327 -4.445 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.584 3.684 -5.555 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.311 4.797 -4.193 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.241 5.402 -5.866 1.00 0.20 H new ATOM 918 N SER A 63 2.541 5.645 -7.468 1.00 0.21 N ATOM 919 CA SER A 63 3.026 5.514 -8.840 1.00 0.23 C ATOM 920 C SER A 63 4.546 5.345 -8.920 1.00 0.24 C ATOM 921 O SER A 63 5.064 4.764 -9.876 1.00 0.27 O ATOM 922 CB SER A 63 2.590 6.731 -9.655 1.00 0.26 C ATOM 923 OG SER A 63 2.965 6.604 -11.016 1.00 1.00 O ATOM 0 H SER A 63 1.943 6.457 -7.315 1.00 0.21 H new ATOM 0 HA SER A 63 2.587 4.606 -9.254 1.00 0.23 H new ATOM 0 HB2 SER A 63 1.509 6.850 -9.584 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.038 7.631 -9.235 1.00 0.26 H new ATOM 0 HG SER A 63 2.598 5.771 -11.380 1.00 1.00 H new ATOM 929 N GLN A 64 5.257 5.836 -7.920 1.00 0.24 N ATOM 930 CA GLN A 64 6.704 5.743 -7.914 1.00 0.27 C ATOM 931 C GLN A 64 7.160 4.629 -6.990 1.00 0.26 C ATOM 932 O GLN A 64 8.038 3.837 -7.323 1.00 0.29 O ATOM 933 CB GLN A 64 7.302 7.063 -7.438 1.00 0.31 C ATOM 934 CG GLN A 64 6.720 8.268 -8.146 1.00 0.35 C ATOM 935 CD GLN A 64 7.221 9.584 -7.584 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.254 10.104 -8.008 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.478 10.142 -6.644 1.00 0.35 N ATOM 0 H GLN A 64 4.857 6.301 -7.105 1.00 0.24 H new ATOM 0 HA GLN A 64 7.042 5.527 -8.928 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.136 7.164 -6.365 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.381 7.043 -7.594 1.00 0.31 H new ATOM 0 HG2 GLN A 64 6.967 8.214 -9.206 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.633 8.237 -8.070 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.629 9.677 -6.322 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.753 11.038 -6.241 1.00 0.35 H new ATOM 946 N ARG A 65 6.549 4.590 -5.824 1.00 0.26 N ATOM 947 CA ARG A 65 7.013 3.735 -4.742 1.00 0.28 C ATOM 948 C ARG A 65 6.333 2.368 -4.684 1.00 0.27 C ATOM 949 O ARG A 65 6.992 1.372 -4.395 1.00 0.32 O ATOM 950 CB ARG A 65 6.831 4.477 -3.427 1.00 0.33 C ATOM 951 CG ARG A 65 7.486 5.850 -3.444 1.00 0.37 C ATOM 952 CD ARG A 65 8.935 5.757 -3.896 1.00 0.43 C ATOM 953 NE ARG A 65 9.637 7.032 -3.840 1.00 0.58 N ATOM 954 CZ ARG A 65 10.343 7.542 -4.854 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.422 6.897 -6.016 1.00 0.59 N ATOM 956 NH2 ARG A 65 10.972 8.698 -4.707 1.00 0.86 N ATOM 0 H ARG A 65 5.723 5.144 -5.597 1.00 0.26 H new ATOM 0 HA ARG A 65 8.065 3.520 -4.931 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.767 4.587 -3.219 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.255 3.885 -2.616 1.00 0.33 H new ATOM 0 HG2 ARG A 65 6.935 6.512 -4.112 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.439 6.291 -2.448 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.458 5.034 -3.270 1.00 0.43 H new ATOM 0 HD3 ARG A 65 8.967 5.377 -4.917 1.00 0.43 H new ATOM 0 HE ARG A 65 9.587 7.569 -2.974 1.00 0.58 H new ATOM 0 HH11 ARG A 65 9.941 6.006 -6.138 1.00 0.59 H new ATOM 0 HH12 ARG A 65 10.963 7.294 -6.784 1.00 0.59 H new ATOM 0 HH21 ARG A 65 10.918 9.199 -3.820 1.00 0.86 H new ATOM 0 HH22 ARG A 65 11.511 9.087 -5.481 1.00 0.86 H new ATOM 970 N SER A 66 5.034 2.313 -4.935 1.00 0.25 N ATOM 971 CA SER A 66 4.304 1.050 -4.825 1.00 0.25 C ATOM 972 C SER A 66 4.819 0.029 -5.836 1.00 0.23 C ATOM 973 O SER A 66 4.859 0.289 -7.039 1.00 0.24 O ATOM 974 CB SER A 66 2.790 1.249 -4.998 1.00 0.24 C ATOM 975 OG SER A 66 2.440 1.548 -6.335 1.00 0.82 O ATOM 0 H SER A 66 4.466 3.113 -5.213 1.00 0.25 H new ATOM 0 HA SER A 66 4.480 0.667 -3.820 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.268 0.346 -4.681 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.455 2.056 -4.347 1.00 0.24 H new ATOM 0 HG SER A 66 3.076 2.197 -6.702 1.00 0.82 H new ATOM 981 N ASP A 67 5.233 -1.122 -5.323 1.00 0.25 N ATOM 982 CA ASP A 67 5.707 -2.222 -6.152 1.00 0.28 C ATOM 983 C ASP A 67 4.556 -2.883 -6.906 1.00 0.31 C ATOM 984 O ASP A 67 4.758 -3.565 -7.913 1.00 0.48 O ATOM 985 CB ASP A 67 6.436 -3.252 -5.288 1.00 0.39 C ATOM 986 CG ASP A 67 6.748 -4.526 -6.042 1.00 1.59 C ATOM 987 OD1 ASP A 67 7.618 -4.491 -6.930 1.00 1.91 O ATOM 988 OD2 ASP A 67 6.135 -5.564 -5.745 1.00 2.28 O ATOM 0 H ASP A 67 5.250 -1.319 -4.322 1.00 0.25 H new ATOM 0 HA ASP A 67 6.401 -1.817 -6.889 1.00 0.28 H new ATOM 0 HB2 ASP A 67 7.364 -2.818 -4.916 1.00 0.39 H new ATOM 0 HB3 ASP A 67 5.824 -3.490 -4.418 1.00 0.39 H new ATOM 993 N CYS A 68 3.346 -2.656 -6.432 1.00 0.24 N ATOM 994 CA CYS A 68 2.171 -3.250 -7.041 1.00 0.26 C ATOM 995 C CYS A 68 1.795 -2.515 -8.322 1.00 0.27 C ATOM 996 O CYS A 68 2.138 -1.349 -8.520 1.00 0.38 O ATOM 997 CB CYS A 68 1.004 -3.223 -6.058 1.00 0.29 C ATOM 998 SG CYS A 68 -0.535 -3.910 -6.707 1.00 1.52 S ATOM 0 H CYS A 68 3.151 -2.063 -5.625 1.00 0.24 H new ATOM 0 HA CYS A 68 2.400 -4.285 -7.295 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.286 -3.777 -5.163 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.827 -2.192 -5.752 1.00 0.29 H new ATOM 0 HG CYS A 68 -1.424 -2.966 -6.806 1.00 1.52 H new ATOM 1004 N GLY A 69 1.069 -3.232 -9.173 1.00 0.26 N ATOM 1005 CA GLY A 69 0.709 -2.753 -10.497 1.00 0.25 C ATOM 1006 C GLY A 69 -0.078 -1.458 -10.489 1.00 0.22 C ATOM 1007 O GLY A 69 -0.180 -0.791 -11.521 1.00 0.25 O ATOM 0 H GLY A 69 0.714 -4.164 -8.961 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.618 -2.610 -11.081 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.123 -3.520 -11.003 1.00 0.25 H new ATOM 1011 N SER A 70 -0.633 -1.093 -9.338 1.00 0.21 N ATOM 1012 CA SER A 70 -1.344 0.165 -9.206 1.00 0.24 C ATOM 1013 C SER A 70 -0.416 1.376 -9.357 1.00 0.22 C ATOM 1014 O SER A 70 -0.888 2.507 -9.350 1.00 0.25 O ATOM 1015 CB SER A 70 -2.072 0.226 -7.865 1.00 0.31 C ATOM 1016 OG SER A 70 -1.300 -0.368 -6.833 1.00 0.32 O ATOM 0 H SER A 70 -0.602 -1.653 -8.486 1.00 0.21 H new ATOM 0 HA SER A 70 -2.072 0.209 -10.016 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.285 1.264 -7.611 1.00 0.31 H new ATOM 0 HB3 SER A 70 -3.031 -0.286 -7.946 1.00 0.31 H new ATOM 0 HG SER A 70 -1.790 -0.314 -5.986 1.00 0.32 H new ATOM 1022 N TYR A 71 0.894 1.153 -9.499 1.00 0.20 N ATOM 1023 CA TYR A 71 1.828 2.256 -9.745 1.00 0.20 C ATOM 1024 C TYR A 71 1.410 3.029 -11.001 1.00 0.22 C ATOM 1025 O TYR A 71 1.657 4.221 -11.121 1.00 0.29 O ATOM 1026 CB TYR A 71 3.276 1.750 -9.913 1.00 0.21 C ATOM 1027 CG TYR A 71 3.526 1.008 -11.210 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.188 -0.331 -11.347 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.105 1.653 -12.297 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.417 -1.007 -12.528 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.335 0.984 -13.482 1.00 0.44 C ATOM 1032 CZ TYR A 71 3.990 -0.344 -13.593 1.00 0.43 C ATOM 1033 OH TYR A 71 4.227 -1.016 -14.768 1.00 0.54 O ATOM 0 H TYR A 71 1.328 0.231 -9.449 1.00 0.20 H new ATOM 0 HA TYR A 71 1.795 2.914 -8.876 1.00 0.20 H new ATOM 0 HB2 TYR A 71 3.955 2.601 -9.857 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.519 1.092 -9.078 1.00 0.21 H new ATOM 0 HD1 TYR A 71 2.738 -0.853 -10.515 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.379 2.694 -12.213 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.149 -2.049 -12.618 1.00 0.36 H new ATOM 0 HE2 TYR A 71 4.783 1.500 -14.318 1.00 0.44 H new ATOM 0 HH TYR A 71 4.175 -0.389 -15.520 1.00 0.54 H new ATOM 1043 N ALA A 72 0.748 2.341 -11.924 1.00 0.24 N ATOM 1044 CA ALA A 72 0.317 2.962 -13.167 1.00 0.30 C ATOM 1045 C ALA A 72 -1.096 3.510 -13.024 1.00 0.36 C ATOM 1046 O ALA A 72 -1.655 4.090 -13.953 1.00 0.49 O ATOM 1047 CB ALA A 72 0.389 1.953 -14.304 1.00 0.38 C ATOM 0 H ALA A 72 0.499 1.356 -11.834 1.00 0.24 H new ATOM 0 HA ALA A 72 0.983 3.794 -13.396 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.065 2.426 -15.231 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.415 1.603 -14.415 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.261 1.107 -14.081 1.00 0.38 H new ATOM 1053 N SER A 73 -1.664 3.328 -11.843 1.00 0.32 N ATOM 1054 CA SER A 73 -3.039 3.718 -11.584 1.00 0.44 C ATOM 1055 C SER A 73 -3.119 4.659 -10.382 1.00 0.49 C ATOM 1056 O SER A 73 -4.205 4.959 -9.888 1.00 0.71 O ATOM 1057 CB SER A 73 -3.869 2.463 -11.326 1.00 0.47 C ATOM 1058 OG SER A 73 -3.494 1.423 -12.217 1.00 0.62 O ATOM 0 H SER A 73 -1.189 2.909 -11.043 1.00 0.32 H new ATOM 0 HA SER A 73 -3.431 4.249 -12.452 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.730 2.134 -10.296 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.928 2.690 -11.448 1.00 0.47 H new ATOM 0 HG SER A 73 -4.035 0.626 -12.036 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.960 5.110 -9.910 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.917 5.990 -8.755 1.00 0.54 C ATOM 1066 C GLY A 74 -2.213 5.265 -7.453 1.00 0.45 C ATOM 1067 O GLY A 74 -2.773 5.844 -6.524 1.00 0.49 O ATOM 0 H GLY A 74 -1.049 4.881 -10.307 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.932 6.453 -8.692 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.639 6.795 -8.890 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.847 3.988 -7.390 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.074 3.201 -6.190 1.00 0.32 C ATOM 1073 C GLY A 75 -3.518 2.772 -6.052 1.00 0.20 C ATOM 1074 O GLY A 75 -3.885 2.095 -5.097 1.00 0.21 O ATOM 0 H GLY A 75 -1.395 3.482 -8.152 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.435 2.318 -6.210 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.785 3.784 -5.315 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.316 3.112 -7.046 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.760 2.996 -6.949 1.00 0.39 C ATOM 1080 C ASP A 76 -6.228 1.714 -7.601 1.00 0.32 C ATOM 1081 O ASP A 76 -5.663 1.279 -8.605 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.431 4.175 -7.636 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.618 4.715 -6.864 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.747 4.229 -7.084 1.00 0.80 O ATOM 1085 OD2 ASP A 76 -7.428 5.647 -6.055 1.00 1.65 O ATOM 0 H ASP A 76 -3.985 3.475 -7.940 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.031 2.988 -5.893 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.700 4.972 -7.772 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.759 3.870 -8.630 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.250 1.111 -7.028 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.814 -0.110 -7.569 1.00 0.30 C ATOM 1092 C LEU A 77 -9.280 0.096 -7.918 1.00 0.32 C ATOM 1093 O LEU A 77 -9.866 1.130 -7.598 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.646 -1.261 -6.576 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.571 -2.297 -6.934 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.264 -1.626 -7.341 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.344 -3.233 -5.757 1.00 0.94 C ATOM 0 H LEU A 77 -7.710 1.449 -6.182 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.279 -0.369 -8.482 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.409 -0.841 -5.598 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.602 -1.775 -6.479 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.925 -2.874 -7.789 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.525 -2.388 -7.588 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.436 -0.992 -8.211 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.895 -1.017 -6.516 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.580 -3.966 -6.017 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -6.015 -2.657 -4.892 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -7.274 -3.748 -5.517 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.855 -0.887 -8.579 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.238 -0.794 -9.008 1.00 0.39 C ATOM 1111 C GLY A 78 -12.196 -1.352 -7.977 1.00 0.34 C ATOM 1112 O GLY A 78 -11.934 -1.281 -6.776 1.00 0.44 O ATOM 0 H GLY A 78 -9.389 -1.758 -8.831 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.486 0.249 -9.205 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.362 -1.334 -9.947 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.308 -1.906 -8.440 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.282 -2.505 -7.542 1.00 0.46 C ATOM 1118 C PHE A 79 -13.944 -3.966 -7.285 1.00 0.45 C ATOM 1119 O PHE A 79 -13.835 -4.770 -8.214 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.696 -2.379 -8.107 1.00 0.61 C ATOM 1121 CG PHE A 79 -16.152 -0.959 -8.260 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.671 -0.264 -7.180 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -16.058 -0.315 -9.483 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -17.087 1.045 -7.316 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -16.471 0.994 -9.626 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.987 1.675 -8.541 1.00 3.85 C ATOM 0 H PHE A 79 -13.556 -1.953 -9.428 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.243 -1.966 -6.595 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.736 -2.872 -9.078 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.389 -2.907 -7.452 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.751 -0.752 -6.220 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.657 -0.844 -10.335 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -17.490 1.576 -6.466 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -16.391 1.485 -10.585 1.00 2.78 H new ATOM 0 HZ PHE A 79 -17.312 2.699 -8.650 1.00 3.85 H new ATOM 1136 N PHE A 80 -13.782 -4.298 -6.021 1.00 0.40 N ATOM 1137 CA PHE A 80 -13.429 -5.646 -5.607 1.00 0.45 C ATOM 1138 C PHE A 80 -14.296 -6.076 -4.437 1.00 0.46 C ATOM 1139 O PHE A 80 -14.698 -5.253 -3.623 1.00 0.55 O ATOM 1140 CB PHE A 80 -11.946 -5.717 -5.223 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.439 -4.502 -4.488 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -11.894 -4.223 -3.211 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.515 -3.643 -5.064 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.442 -3.111 -2.531 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.064 -2.529 -4.377 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.482 -2.268 -3.151 1.00 1.31 C ATOM 0 H PHE A 80 -13.891 -3.642 -5.248 1.00 0.40 H new ATOM 0 HA PHE A 80 -13.603 -6.324 -6.442 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -11.785 -6.597 -4.601 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -11.354 -5.854 -6.128 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.610 -4.882 -2.742 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.144 -3.845 -6.058 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.813 -2.885 -1.542 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.359 -1.862 -4.851 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.093 -1.412 -2.620 1.00 1.31 H new ATOM 1156 N SER A 81 -14.602 -7.354 -4.368 1.00 0.50 N ATOM 1157 CA SER A 81 -15.408 -7.868 -3.282 1.00 0.55 C ATOM 1158 C SER A 81 -14.541 -8.083 -2.049 1.00 0.52 C ATOM 1159 O SER A 81 -13.525 -8.775 -2.112 1.00 0.54 O ATOM 1160 CB SER A 81 -16.084 -9.169 -3.701 1.00 0.69 C ATOM 1161 OG SER A 81 -16.829 -8.987 -4.895 1.00 1.17 O ATOM 0 H SER A 81 -14.306 -8.054 -5.049 1.00 0.50 H new ATOM 0 HA SER A 81 -16.184 -7.142 -3.037 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.332 -9.943 -3.851 1.00 0.69 H new ATOM 0 HB3 SER A 81 -16.743 -9.515 -2.905 1.00 0.69 H new ATOM 0 HG SER A 81 -17.727 -9.362 -4.781 1.00 1.17 H new ATOM 1167 N SER A 82 -14.935 -7.460 -0.945 1.00 0.59 N ATOM 1168 CA SER A 82 -14.199 -7.559 0.306 1.00 0.63 C ATOM 1169 C SER A 82 -13.995 -9.017 0.704 1.00 0.59 C ATOM 1170 O SER A 82 -14.955 -9.763 0.909 1.00 0.63 O ATOM 1171 CB SER A 82 -14.943 -6.805 1.407 1.00 0.77 C ATOM 1172 OG SER A 82 -15.179 -5.457 1.026 1.00 1.19 O ATOM 0 H SER A 82 -15.769 -6.875 -0.893 1.00 0.59 H new ATOM 0 HA SER A 82 -13.217 -7.108 0.167 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.892 -7.300 1.615 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.361 -6.830 2.328 1.00 0.77 H new ATOM 0 HG SER A 82 -15.658 -4.993 1.744 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.737 -9.413 0.800 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.400 -10.776 1.132 1.00 0.62 C ATOM 1180 C GLY A 83 -11.698 -11.476 -0.012 1.00 0.64 C ATOM 1181 O GLY A 83 -11.545 -12.698 -0.003 1.00 0.79 O ATOM 0 H GLY A 83 -11.933 -8.803 0.651 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.759 -10.788 2.013 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.307 -11.322 1.390 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.265 -10.704 -0.998 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.557 -11.258 -2.143 1.00 0.62 C ATOM 1187 C GLU A 84 -9.129 -10.734 -2.224 1.00 0.58 C ATOM 1188 O GLU A 84 -8.424 -10.989 -3.202 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.287 -10.944 -3.449 1.00 0.73 C ATOM 1190 CG GLU A 84 -12.479 -11.844 -3.724 1.00 1.17 C ATOM 1191 CD GLU A 84 -13.040 -11.646 -5.119 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -12.318 -11.908 -6.101 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -14.205 -11.210 -5.242 1.00 1.43 O ATOM 0 H GLU A 84 -11.391 -9.692 -1.028 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.526 -12.338 -2.003 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.625 -9.908 -3.424 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.582 -11.029 -4.276 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -12.182 -12.885 -3.599 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -13.259 -11.645 -2.989 1.00 1.17 H new ATOM 1200 N MET A 85 -8.695 -10.006 -1.205 1.00 0.47 N ATOM 1201 CA MET A 85 -7.351 -9.455 -1.207 1.00 0.44 C ATOM 1202 C MET A 85 -6.412 -10.319 -0.381 1.00 0.47 C ATOM 1203 O MET A 85 -6.012 -11.406 -0.800 1.00 0.73 O ATOM 1204 CB MET A 85 -7.345 -8.023 -0.674 1.00 0.39 C ATOM 1205 CG MET A 85 -8.023 -7.024 -1.589 1.00 0.37 C ATOM 1206 SD MET A 85 -7.183 -6.866 -3.174 1.00 0.39 S ATOM 1207 CE MET A 85 -8.186 -5.603 -3.945 1.00 0.39 C ATOM 0 H MET A 85 -9.248 -9.786 -0.376 1.00 0.47 H new ATOM 0 HA MET A 85 -7.000 -9.443 -2.239 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.840 -8.005 0.297 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.313 -7.710 -0.512 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.055 -7.331 -1.757 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.056 -6.051 -1.099 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.153 -5.723 -5.028 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.216 -5.696 -3.601 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.801 -4.619 -3.677 1.00 0.39 H new ATOM 1217 N MET A 86 -6.073 -9.827 0.796 1.00 0.33 N ATOM 1218 CA MET A 86 -5.249 -10.550 1.744 1.00 0.35 C ATOM 1219 C MET A 86 -5.778 -10.267 3.129 1.00 0.40 C ATOM 1220 O MET A 86 -6.280 -9.172 3.371 1.00 0.76 O ATOM 1221 CB MET A 86 -3.778 -10.122 1.646 1.00 0.33 C ATOM 1222 CG MET A 86 -3.149 -10.397 0.285 1.00 0.43 C ATOM 1223 SD MET A 86 -1.467 -9.758 0.137 1.00 1.16 S ATOM 1224 CE MET A 86 -1.770 -7.993 0.139 1.00 1.39 C ATOM 0 H MET A 86 -6.365 -8.906 1.123 1.00 0.33 H new ATOM 0 HA MET A 86 -5.292 -11.617 1.523 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.704 -9.056 1.862 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.205 -10.643 2.413 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.139 -11.472 0.107 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.770 -9.951 -0.492 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.853 -7.466 -0.123 1.00 1.39 H new ATOM 0 HE2 MET A 86 -2.545 -7.756 -0.589 1.00 1.39 H new ATOM 0 HE3 MET A 86 -2.097 -7.681 1.131 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.671 -11.236 4.024 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.266 -11.126 5.353 1.00 0.32 C ATOM 1236 C LYS A 87 -5.943 -9.791 6.048 1.00 0.27 C ATOM 1237 O LYS A 87 -6.864 -9.072 6.433 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.839 -12.307 6.235 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.353 -12.218 7.666 1.00 0.97 C ATOM 1240 CD LYS A 87 -5.868 -13.384 8.514 1.00 1.46 C ATOM 1241 CE LYS A 87 -6.461 -14.705 8.049 1.00 2.00 C ATOM 1242 NZ LYS A 87 -5.976 -15.847 8.867 1.00 2.37 N ATOM 0 H LYS A 87 -5.176 -12.112 3.856 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.347 -11.153 5.213 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.198 -13.233 5.786 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.751 -12.362 6.252 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.022 -11.281 8.113 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.443 -12.201 7.660 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -4.780 -13.438 8.470 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.136 -13.212 9.556 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -7.548 -14.655 8.104 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.202 -14.871 7.003 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -6.403 -16.729 8.519 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -4.941 -15.911 8.794 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -6.245 -15.701 9.861 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.654 -9.405 6.197 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.301 -8.189 6.938 1.00 0.25 C ATOM 1258 C PRO A 88 -4.595 -6.930 6.130 1.00 0.22 C ATOM 1259 O PRO A 88 -4.874 -5.865 6.684 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.801 -8.348 7.173 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.322 -9.151 6.017 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.452 -10.078 5.646 1.00 0.27 C ATOM 0 HA PRO A 88 -4.874 -8.077 7.858 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.302 -7.380 7.217 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.599 -8.854 8.117 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.058 -8.506 5.179 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.427 -9.715 6.280 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.525 -10.208 4.566 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.315 -11.069 6.078 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.551 -7.080 4.816 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.789 -5.985 3.889 1.00 0.17 C ATOM 1272 C PHE A 89 -6.268 -5.622 3.881 1.00 0.18 C ATOM 1273 O PHE A 89 -6.638 -4.489 4.165 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.337 -6.421 2.489 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.562 -5.420 1.386 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.789 -5.335 0.745 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.538 -4.590 0.965 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.991 -4.438 -0.287 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.733 -3.697 -0.071 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.963 -3.621 -0.698 1.00 0.19 C ATOM 0 H PHE A 89 -4.348 -7.970 4.360 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.224 -5.105 4.198 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.274 -6.657 2.528 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.859 -7.342 2.230 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.598 -5.979 1.057 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.575 -4.641 1.452 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.955 -4.378 -0.770 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.924 -3.058 -0.391 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.116 -2.923 -1.508 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.099 -6.618 3.594 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.543 -6.440 3.489 1.00 0.24 C ATOM 1292 C GLU A 90 -9.119 -5.973 4.818 1.00 0.25 C ATOM 1293 O GLU A 90 -10.030 -5.145 4.867 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.195 -7.762 3.093 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.576 -7.611 2.491 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.524 -7.149 1.052 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -10.438 -5.931 0.816 1.00 1.78 O ATOM 1298 OE2 GLU A 90 -10.567 -8.021 0.155 1.00 2.12 O ATOM 0 H GLU A 90 -6.789 -7.575 3.427 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.747 -5.685 2.729 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.551 -8.273 2.377 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.262 -8.401 3.974 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -11.101 -8.565 2.546 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.151 -6.896 3.080 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.576 -6.519 5.898 1.00 0.25 N ATOM 1306 CA ASP A 91 -9.002 -6.155 7.241 1.00 0.29 C ATOM 1307 C ASP A 91 -8.768 -4.671 7.491 1.00 0.25 C ATOM 1308 O ASP A 91 -9.527 -4.022 8.208 1.00 0.30 O ATOM 1309 CB ASP A 91 -8.256 -6.994 8.278 1.00 0.35 C ATOM 1310 CG ASP A 91 -8.667 -6.670 9.696 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -9.772 -7.082 10.106 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.887 -5.996 10.405 1.00 0.54 O ATOM 0 H ASP A 91 -7.835 -7.220 5.868 1.00 0.25 H new ATOM 0 HA ASP A 91 -10.070 -6.355 7.333 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -8.439 -8.051 8.084 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -7.184 -6.830 8.168 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.732 -4.132 6.865 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.417 -2.718 6.986 1.00 0.19 C ATOM 1319 C ALA A 92 -8.292 -1.888 6.051 1.00 0.18 C ATOM 1320 O ALA A 92 -8.563 -0.720 6.317 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.945 -2.478 6.689 1.00 0.22 C ATOM 0 H ALA A 92 -7.094 -4.656 6.266 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.621 -2.407 8.010 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.723 -1.415 6.783 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.335 -3.040 7.396 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.720 -2.807 5.674 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.753 -2.508 4.969 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.573 -1.819 3.978 1.00 0.19 C ATOM 1329 C VAL A 93 -10.953 -1.532 4.549 1.00 0.19 C ATOM 1330 O VAL A 93 -11.556 -0.495 4.278 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.731 -2.649 2.683 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.446 -1.847 1.614 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.381 -3.125 2.172 1.00 0.21 C ATOM 0 H VAL A 93 -8.572 -3.489 4.756 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.064 -0.887 3.731 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.335 -3.525 2.920 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.546 -2.451 0.712 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.436 -1.564 1.973 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.871 -0.949 1.388 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.521 -3.706 1.261 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.748 -2.263 1.959 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.904 -3.747 2.929 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.445 -2.460 5.353 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.749 -2.307 5.971 1.00 0.27 C ATOM 1345 C ARG A 94 -12.639 -1.510 7.268 1.00 0.25 C ATOM 1346 O ARG A 94 -13.635 -1.001 7.784 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.384 -3.689 6.213 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.616 -4.592 7.173 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.910 -4.247 8.625 1.00 1.03 C ATOM 1350 NE ARG A 94 -12.092 -5.011 9.561 1.00 0.98 N ATOM 1351 CZ ARG A 94 -12.299 -5.034 10.875 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -13.308 -4.352 11.402 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -11.497 -5.740 11.659 1.00 1.70 N ATOM 0 H ARG A 94 -10.961 -3.325 5.592 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.398 -1.749 5.296 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.393 -3.546 6.601 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.480 -4.201 5.255 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.881 -5.632 6.985 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.546 -4.497 6.985 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.738 -3.182 8.783 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.964 -4.434 8.833 1.00 1.03 H new ATOM 0 HE ARG A 94 -11.317 -5.559 9.187 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.926 -3.809 10.799 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -13.465 -4.371 12.410 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.722 -6.265 11.255 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -11.655 -5.758 12.667 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.418 -1.397 7.781 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.173 -0.736 9.058 1.00 0.25 C ATOM 1369 C ALA A 95 -11.251 0.776 8.918 1.00 0.26 C ATOM 1370 O ALA A 95 -11.391 1.499 9.906 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.818 -1.145 9.613 1.00 0.26 C ATOM 0 H ALA A 95 -10.578 -1.757 7.328 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.950 -1.051 9.755 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.649 -0.644 10.566 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.797 -2.225 9.762 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -9.036 -0.860 8.910 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.167 1.252 7.688 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.240 2.676 7.419 1.00 0.19 C ATOM 1379 C LEU A 96 -12.416 2.992 6.519 1.00 0.21 C ATOM 1380 O LEU A 96 -12.849 2.155 5.730 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.936 3.186 6.795 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.238 2.247 5.813 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -10.003 2.148 4.512 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.837 2.731 5.542 1.00 0.28 C ATOM 0 H LEU A 96 -11.048 0.671 6.858 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.385 3.189 8.370 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.148 4.123 6.279 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.239 3.416 7.601 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.200 1.256 6.265 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.481 1.473 3.834 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -11.004 1.764 4.707 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -10.075 3.136 4.056 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.348 2.055 4.841 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.875 3.733 5.114 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.274 2.756 6.475 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.936 4.195 6.654 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.041 4.648 5.835 1.00 0.31 C ATOM 1398 C LYS A 97 -13.489 5.373 4.610 1.00 0.28 C ATOM 1399 O LYS A 97 -12.291 5.646 4.542 1.00 0.25 O ATOM 1400 CB LYS A 97 -14.946 5.573 6.659 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.248 5.963 5.975 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.194 4.782 5.832 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.514 5.203 5.202 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.196 6.260 5.996 1.00 1.61 N ATOM 0 H LYS A 97 -12.606 4.883 7.331 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.635 3.798 5.501 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.180 5.082 7.604 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.392 6.480 6.900 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -16.736 6.751 6.548 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.030 6.374 4.989 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.726 4.011 5.220 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.380 4.342 6.812 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.333 5.568 4.191 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -19.168 4.335 5.115 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.195 6.316 5.713 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.135 6.028 7.008 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -18.735 7.176 5.823 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.350 5.626 3.631 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.994 6.430 2.469 1.00 0.32 C ATOM 1420 C ILE A 98 -13.260 7.708 2.881 1.00 0.32 C ATOM 1421 O ILE A 98 -13.819 8.564 3.572 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.254 6.808 1.662 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -16.035 5.543 1.289 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.878 7.598 0.416 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.326 5.815 0.550 1.00 0.90 C ATOM 0 H ILE A 98 -15.310 5.281 3.620 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.331 5.827 1.849 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.890 7.441 2.281 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.402 4.906 0.672 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.259 4.985 2.198 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.781 7.854 -0.138 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.359 8.511 0.707 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.224 6.995 -0.214 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.820 4.871 0.321 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.980 6.425 1.173 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -17.110 6.345 -0.377 1.00 0.90 H new ATOM 1437 N GLY A 99 -12.006 7.816 2.466 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.217 8.990 2.789 1.00 0.32 C ATOM 1439 C GLY A 99 -10.257 8.776 3.949 1.00 0.32 C ATOM 1440 O GLY A 99 -9.502 9.680 4.305 1.00 0.46 O ATOM 0 H GLY A 99 -11.520 7.112 1.911 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.649 9.290 1.908 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.888 9.814 3.031 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.276 7.590 4.548 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.390 7.295 5.668 1.00 0.19 C ATOM 1446 C ASP A 100 -8.244 6.399 5.225 1.00 0.15 C ATOM 1447 O ASP A 100 -8.389 5.631 4.272 1.00 0.15 O ATOM 1448 CB ASP A 100 -10.159 6.634 6.814 1.00 0.22 C ATOM 1449 CG ASP A 100 -11.162 7.563 7.468 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.781 8.688 7.859 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -12.333 7.162 7.622 1.00 0.37 O ATOM 0 H ASP A 100 -10.891 6.822 4.279 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.979 8.239 6.026 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.680 5.755 6.435 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.451 6.286 7.566 1.00 0.22 H new ATOM 1456 N ILE A 101 -7.110 6.503 5.916 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.912 5.746 5.557 1.00 0.16 C ATOM 1458 C ILE A 101 -5.452 4.868 6.723 1.00 0.16 C ATOM 1459 O ILE A 101 -5.649 5.210 7.892 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.744 6.681 5.160 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.240 7.836 4.284 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.661 5.896 4.425 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.157 8.830 3.921 1.00 0.21 C ATOM 0 H ILE A 101 -6.996 7.106 6.730 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.180 5.123 4.704 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.321 7.099 6.074 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.669 7.428 3.369 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -6.041 8.359 4.806 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.847 6.567 4.152 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.280 5.107 5.074 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -4.082 5.452 3.523 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.581 9.619 3.300 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.744 9.266 4.830 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.366 8.321 3.371 1.00 0.21 H new ATOM 1475 N SER A 102 -4.849 3.736 6.392 1.00 0.16 N ATOM 1476 CA SER A 102 -4.300 2.821 7.382 1.00 0.19 C ATOM 1477 C SER A 102 -2.808 3.067 7.566 1.00 0.18 C ATOM 1478 O SER A 102 -2.125 3.498 6.637 1.00 0.22 O ATOM 1479 CB SER A 102 -4.511 1.369 6.943 1.00 0.25 C ATOM 1480 OG SER A 102 -5.881 1.021 6.934 1.00 0.92 O ATOM 0 H SER A 102 -4.726 3.425 5.428 1.00 0.16 H new ATOM 0 HA SER A 102 -4.818 2.997 8.325 1.00 0.19 H new ATOM 0 HB2 SER A 102 -4.092 1.225 5.947 1.00 0.25 H new ATOM 0 HB3 SER A 102 -3.970 0.703 7.615 1.00 0.25 H new ATOM 0 HG SER A 102 -6.107 0.605 6.076 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.290 2.797 8.771 1.00 0.21 N ATOM 1487 CA PRO A 103 -0.858 2.853 9.040 1.00 0.23 C ATOM 1488 C PRO A 103 -0.138 1.653 8.440 1.00 0.20 C ATOM 1489 O PRO A 103 -0.774 0.788 7.838 1.00 0.27 O ATOM 1490 CB PRO A 103 -0.780 2.819 10.565 1.00 0.31 C ATOM 1491 CG PRO A 103 -1.996 2.069 10.978 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.060 2.414 9.970 1.00 0.28 C ATOM 0 HA PRO A 103 -0.383 3.732 8.605 1.00 0.23 H new ATOM 0 HB2 PRO A 103 0.129 2.323 10.906 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -0.771 3.825 10.985 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -1.806 0.996 10.993 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -2.306 2.352 11.984 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -3.715 1.566 9.772 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -3.693 3.231 10.318 1.00 0.28 H new ATOM 1500 N ILE A 104 1.182 1.623 8.588 1.00 0.17 N ATOM 1501 CA ILE A 104 2.007 0.517 8.087 1.00 0.15 C ATOM 1502 C ILE A 104 1.396 -0.850 8.406 1.00 0.14 C ATOM 1503 O ILE A 104 1.371 -1.280 9.560 1.00 0.20 O ATOM 1504 CB ILE A 104 3.433 0.554 8.683 1.00 0.15 C ATOM 1505 CG1 ILE A 104 4.007 1.970 8.613 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.342 -0.425 7.944 1.00 0.15 C ATOM 1507 CD1 ILE A 104 4.050 2.532 7.211 1.00 0.17 C ATOM 0 H ILE A 104 1.713 2.358 9.055 1.00 0.17 H new ATOM 0 HA ILE A 104 2.052 0.651 7.006 1.00 0.15 H new ATOM 0 HB ILE A 104 3.378 0.256 9.730 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.408 2.628 9.242 1.00 0.17 H new ATOM 0 HG13 ILE A 104 5.016 1.966 9.026 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.343 -0.388 8.374 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.943 -1.435 8.039 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.390 -0.152 6.890 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.468 3.538 7.235 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.673 1.895 6.583 1.00 0.17 H new ATOM 0 HD13 ILE A 104 3.040 2.568 6.802 1.00 0.17 H new ATOM 1519 N VAL A 105 0.889 -1.511 7.378 1.00 0.13 N ATOM 1520 CA VAL A 105 0.382 -2.867 7.498 1.00 0.15 C ATOM 1521 C VAL A 105 1.299 -3.822 6.751 1.00 0.15 C ATOM 1522 O VAL A 105 1.436 -3.734 5.530 1.00 0.17 O ATOM 1523 CB VAL A 105 -1.057 -2.990 6.936 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.507 -4.445 6.877 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -2.026 -2.177 7.779 1.00 1.04 C ATOM 0 H VAL A 105 0.818 -1.122 6.438 1.00 0.13 H new ATOM 0 HA VAL A 105 0.355 -3.122 8.557 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.052 -2.596 5.920 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.520 -4.497 6.478 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -0.834 -5.008 6.231 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -1.489 -4.872 7.880 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -3.032 -2.274 7.371 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -2.013 -2.545 8.805 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.728 -1.128 7.766 1.00 1.04 H new ATOM 1535 N GLN A 106 1.943 -4.719 7.476 1.00 0.18 N ATOM 1536 CA GLN A 106 2.815 -5.692 6.848 1.00 0.20 C ATOM 1537 C GLN A 106 2.010 -6.888 6.367 1.00 0.23 C ATOM 1538 O GLN A 106 0.996 -7.260 6.964 1.00 0.29 O ATOM 1539 CB GLN A 106 3.907 -6.164 7.805 1.00 0.24 C ATOM 1540 CG GLN A 106 4.922 -5.099 8.180 1.00 0.25 C ATOM 1541 CD GLN A 106 6.137 -5.691 8.868 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.175 -5.812 10.093 1.00 0.55 O ATOM 1543 NE2 GLN A 106 7.130 -6.083 8.082 1.00 0.28 N ATOM 0 H GLN A 106 1.879 -4.793 8.491 1.00 0.18 H new ATOM 0 HA GLN A 106 3.291 -5.206 5.997 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.438 -6.537 8.715 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.432 -7.004 7.350 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.237 -4.566 7.283 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.453 -4.367 8.838 1.00 0.25 H new ATOM 0 HE21 GLN A 106 7.058 -5.964 7.071 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.966 -6.503 8.488 1.00 0.28 H new ATOM 1552 N THR A 107 2.465 -7.476 5.282 1.00 0.22 N ATOM 1553 CA THR A 107 1.818 -8.630 4.695 1.00 0.27 C ATOM 1554 C THR A 107 2.799 -9.788 4.589 1.00 0.34 C ATOM 1555 O THR A 107 3.919 -9.700 5.097 1.00 0.37 O ATOM 1556 CB THR A 107 1.262 -8.294 3.299 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.232 -7.543 2.554 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.033 -7.503 3.404 1.00 0.27 C ATOM 0 H THR A 107 3.297 -7.166 4.780 1.00 0.22 H new ATOM 0 HA THR A 107 0.990 -8.918 5.342 1.00 0.27 H new ATOM 0 HB THR A 107 1.052 -9.230 2.781 1.00 0.26 H new ATOM 0 HG1 THR A 107 2.986 -7.314 3.136 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.404 -7.279 2.404 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.776 -8.091 3.944 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.152 -6.572 3.940 1.00 0.27 H new ATOM 1566 N ASP A 108 2.387 -10.864 3.936 1.00 0.40 N ATOM 1567 CA ASP A 108 3.258 -12.016 3.757 1.00 0.49 C ATOM 1568 C ASP A 108 4.455 -11.649 2.891 1.00 0.45 C ATOM 1569 O ASP A 108 5.577 -12.094 3.148 1.00 0.53 O ATOM 1570 CB ASP A 108 2.496 -13.192 3.136 1.00 0.60 C ATOM 1571 CG ASP A 108 1.455 -13.768 4.073 1.00 1.37 C ATOM 1572 OD1 ASP A 108 1.819 -14.582 4.946 1.00 2.16 O ATOM 1573 OD2 ASP A 108 0.265 -13.402 3.945 1.00 1.67 O ATOM 0 H ASP A 108 1.460 -10.964 3.523 1.00 0.40 H new ATOM 0 HA ASP A 108 3.615 -12.323 4.740 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.011 -12.862 2.218 1.00 0.60 H new ATOM 0 HB3 ASP A 108 3.203 -13.974 2.859 1.00 0.60 H new ATOM 1578 N SER A 109 4.224 -10.818 1.882 1.00 0.39 N ATOM 1579 CA SER A 109 5.300 -10.392 1.005 1.00 0.43 C ATOM 1580 C SER A 109 6.009 -9.173 1.586 1.00 0.53 C ATOM 1581 O SER A 109 7.173 -9.261 1.946 1.00 1.09 O ATOM 1582 CB SER A 109 4.751 -10.075 -0.391 1.00 0.47 C ATOM 1583 OG SER A 109 5.791 -9.945 -1.347 1.00 0.60 O ATOM 0 H SER A 109 3.308 -10.430 1.654 1.00 0.39 H new ATOM 0 HA SER A 109 6.022 -11.204 0.920 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.068 -10.866 -0.702 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.173 -9.151 -0.354 1.00 0.47 H new ATOM 0 HG SER A 109 6.652 -10.138 -0.922 1.00 0.60 H new ATOM 1589 N GLY A 110 5.300 -8.064 1.760 1.00 0.22 N ATOM 1590 CA GLY A 110 5.968 -6.865 2.204 1.00 0.19 C ATOM 1591 C GLY A 110 5.071 -5.920 2.964 1.00 0.16 C ATOM 1592 O GLY A 110 4.335 -6.324 3.859 1.00 0.24 O ATOM 0 H GLY A 110 4.296 -7.977 1.604 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.810 -7.142 2.838 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.378 -6.346 1.338 1.00 0.19 H new ATOM 1596 N LEU A 111 5.111 -4.666 2.572 1.00 0.12 N ATOM 1597 CA LEU A 111 4.485 -3.590 3.334 1.00 0.11 C ATOM 1598 C LEU A 111 3.356 -2.933 2.556 1.00 0.11 C ATOM 1599 O LEU A 111 3.424 -2.817 1.332 1.00 0.13 O ATOM 1600 CB LEU A 111 5.532 -2.538 3.683 1.00 0.12 C ATOM 1601 CG LEU A 111 6.152 -2.642 5.075 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.758 -4.017 5.313 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.202 -1.564 5.239 1.00 0.19 C ATOM 0 H LEU A 111 5.576 -4.356 1.719 1.00 0.12 H new ATOM 0 HA LEU A 111 4.065 -4.024 4.241 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.333 -2.594 2.946 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.075 -1.553 3.584 1.00 0.12 H new ATOM 0 HG LEU A 111 5.366 -2.500 5.816 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.190 -4.056 6.313 1.00 0.15 H new ATOM 0 HD12 LEU A 111 5.982 -4.777 5.223 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.537 -4.204 4.574 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.646 -1.636 6.232 1.00 0.19 H new ATOM 0 HD22 LEU A 111 7.978 -1.694 4.484 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.740 -0.584 5.119 1.00 0.19 H new ATOM 1615 N HIS A 112 2.323 -2.501 3.268 1.00 0.11 N ATOM 1616 CA HIS A 112 1.182 -1.844 2.641 1.00 0.12 C ATOM 1617 C HIS A 112 0.596 -0.744 3.517 1.00 0.14 C ATOM 1618 O HIS A 112 0.547 -0.864 4.737 1.00 0.22 O ATOM 1619 CB HIS A 112 0.065 -2.848 2.355 1.00 0.14 C ATOM 1620 CG HIS A 112 0.356 -3.800 1.247 1.00 0.16 C ATOM 1621 ND1 HIS A 112 0.003 -3.554 -0.060 1.00 0.19 N ATOM 1622 CD2 HIS A 112 0.942 -5.017 1.260 1.00 0.18 C ATOM 1623 CE1 HIS A 112 0.353 -4.587 -0.805 1.00 0.22 C ATOM 1624 NE2 HIS A 112 0.924 -5.486 -0.028 1.00 0.21 N ATOM 0 H HIS A 112 2.251 -2.594 4.281 1.00 0.11 H new ATOM 0 HA HIS A 112 1.559 -1.408 1.716 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.135 -3.417 3.263 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.846 -2.300 2.115 1.00 0.14 H new ATOM 0 HD2 HIS A 112 1.348 -5.525 2.122 1.00 0.18 H new ATOM 0 HE1 HIS A 112 0.198 -4.679 -1.870 1.00 0.22 H new ATOM 0 HE2 HIS A 112 1.293 -6.386 -0.336 1.00 0.21 H new ATOM 1633 N ILE A 113 0.181 0.336 2.875 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.767 1.270 3.461 1.00 0.13 C ATOM 1635 C ILE A 113 -1.950 1.382 2.515 1.00 0.12 C ATOM 1636 O ILE A 113 -1.769 1.361 1.294 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.169 2.669 3.712 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.611 3.147 2.490 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.724 2.647 4.943 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.574 4.639 2.287 1.00 0.17 C ATOM 0 H ILE A 113 0.490 0.589 1.937 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.062 0.887 4.438 1.00 0.13 H new ATOM 0 HB ILE A 113 -0.986 3.369 3.889 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.649 2.829 2.587 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.210 2.659 1.602 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.140 3.641 5.109 1.00 0.15 H new ATOM 0 HG22 ILE A 113 0.138 2.349 5.812 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.535 1.935 4.791 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.151 4.900 1.400 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.459 4.963 2.157 1.00 0.17 H new ATOM 0 HD13 ILE A 113 1.003 5.135 3.157 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.156 1.453 3.056 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.347 1.456 2.220 1.00 0.11 C ATOM 1654 C ILE A 114 -5.298 2.565 2.651 1.00 0.11 C ATOM 1655 O ILE A 114 -5.316 2.949 3.817 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.104 0.098 2.271 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.142 -1.095 2.220 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.091 0.001 1.119 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.719 -1.606 3.582 1.00 0.18 C ATOM 0 H ILE A 114 -3.336 1.509 4.058 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.011 1.625 1.197 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.639 0.062 3.220 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.617 -1.908 1.670 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.253 -0.807 1.659 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.614 -0.954 1.167 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.814 0.814 1.190 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.554 0.074 0.173 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.040 -2.449 3.459 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.214 -0.810 4.129 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.599 -1.927 4.140 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.063 3.085 1.701 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.114 4.053 1.990 1.00 0.14 C ATOM 1673 C LYS A 115 -8.357 3.673 1.187 1.00 0.15 C ATOM 1674 O LYS A 115 -8.239 3.217 0.050 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.656 5.482 1.629 1.00 0.16 C ATOM 1676 CG LYS A 115 -7.040 5.917 0.220 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.414 7.246 -0.177 1.00 0.24 C ATOM 1678 CE LYS A 115 -7.056 7.792 -1.447 1.00 0.35 C ATOM 1679 NZ LYS A 115 -8.353 8.462 -1.167 1.00 0.61 N ATOM 0 H LYS A 115 -5.974 2.850 0.713 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.341 4.038 3.056 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.086 6.182 2.345 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.573 5.543 1.735 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.732 5.149 -0.489 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -8.125 5.997 0.152 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.533 7.965 0.633 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.343 7.116 -0.333 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.377 8.500 -1.922 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.213 6.977 -2.154 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -8.750 8.835 -2.053 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -9.016 7.776 -0.752 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -8.202 9.245 -0.499 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.538 3.831 1.766 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.763 3.500 1.049 1.00 0.17 C ATOM 1695 C ARG A 116 -11.209 4.663 0.174 1.00 0.19 C ATOM 1696 O ARG A 116 -11.251 5.810 0.615 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.887 3.080 2.004 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.252 3.052 1.340 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.185 2.016 1.924 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.307 2.059 3.373 1.00 0.79 N ATOM 1701 CZ ARG A 116 -15.438 1.752 4.014 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.549 1.528 3.324 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -15.464 1.678 5.336 1.00 1.87 N ATOM 0 H ARG A 116 -9.675 4.180 2.714 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.542 2.647 0.407 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.664 2.091 2.405 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.914 3.768 2.849 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.712 4.036 1.431 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.125 2.856 0.275 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.174 2.148 1.485 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.836 1.026 1.631 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.494 2.335 3.923 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.538 1.590 2.306 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -17.414 1.293 3.812 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.616 1.856 5.874 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -16.332 1.443 5.817 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.529 4.342 -1.072 1.00 0.22 N ATOM 1718 CA LEU A 117 -11.944 5.332 -2.059 1.00 0.27 C ATOM 1719 C LEU A 117 -13.461 5.341 -2.192 1.00 0.29 C ATOM 1720 O LEU A 117 -14.071 6.389 -2.410 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.315 5.014 -3.425 1.00 0.32 C ATOM 1722 CG LEU A 117 -9.882 5.510 -3.661 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -9.840 7.019 -3.791 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -8.957 5.056 -2.554 1.00 0.80 C ATOM 0 H LEU A 117 -11.508 3.387 -1.429 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.607 6.313 -1.725 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.326 3.933 -3.560 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -11.953 5.439 -4.200 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.537 5.073 -4.598 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -8.812 7.341 -3.957 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.458 7.329 -4.633 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.219 7.474 -2.876 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -7.949 5.423 -2.749 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.309 5.451 -1.601 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -8.945 3.967 -2.513 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.059 4.163 -2.069 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.500 4.012 -2.171 1.00 0.30 C ATOM 1738 C ALA A 118 -15.938 2.707 -1.522 1.00 0.30 C ATOM 1739 O ALA A 118 -15.782 1.647 -2.158 1.00 1.10 O ATOM 1740 CB ALA A 118 -15.943 4.059 -3.628 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.433 2.744 -0.377 1.00 1.09 O ATOM 0 H ALA A 118 -13.559 3.291 -1.897 1.00 0.26 H new ATOM 0 HA ALA A 118 -15.974 4.840 -1.644 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.026 3.944 -3.683 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.657 5.016 -4.065 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.464 3.251 -4.180 1.00 0.39 H new TER 1747 ALA A 118