USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 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 36 HIS : no HD1:sc= -0.533 K(o=0.39,f=-4!) USER MOD Set 1.2: A 87 TYR OH : rot -48:sc= 0.918 USER MOD Set 2.1: A 9 GLN : amide:sc= 1.19 K(o=3,f=0.61) USER MOD Set 2.2: A 11 HIS : no HE2:sc= 0.511 K(o=3,f=0.45) USER MOD Set 2.3: A 18 THR OG1 : rot -122:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 154:sc= 0 (180deg=-0.283) USER MOD Single : A 6 SER OG : rot -160:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.698) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0.588 (180deg=0.367) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0063 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -96:sc= 0.386 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 43 GLN : amide:sc= -0.0295 X(o=-0.03,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.31) USER MOD Single : A 51 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.33) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.15) USER MOD Single : A 56 ASN : amide:sc= 0.0903 X(o=0.09,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.641 F(o=-1.3,f=-0.64) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 89 TYR OH : rot -49:sc= 0.593 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.167 (180deg=-0.562) USER MOD Single : A 97 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 102 TYR OH : rot -104:sc= 0.0546 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 175:sc= 1.04 (180deg=1.02) USER MOD Single : A 112 SER OG : rot -150:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.134 -1.897 9.970 1.00 61.20 N ATOM 2 CA GLY A 1 22.297 -0.968 8.851 1.00 44.50 C ATOM 3 C GLY A 1 21.048 -0.905 7.996 1.00 3.51 C ATOM 4 O GLY A 1 21.128 -1.162 6.794 1.00 50.22 O ATOM 0 H1 GLY A 1 23.007 -1.916 10.535 1.00 61.20 H new ATOM 0 H2 GLY A 1 21.342 -1.585 10.567 1.00 61.20 H new ATOM 0 H3 GLY A 1 21.937 -2.850 9.604 1.00 61.20 H new ATOM 0 HA2 GLY A 1 22.528 0.026 9.233 1.00 44.50 H new ATOM 0 HA3 GLY A 1 23.143 -1.279 8.239 1.00 44.50 H new ATOM 8 N MET A 2 19.912 -0.517 8.586 1.00 72.40 N ATOM 9 CA MET A 2 18.595 -0.365 7.968 1.00 52.10 C ATOM 10 C MET A 2 18.040 -1.666 7.363 1.00 30.24 C ATOM 11 O MET A 2 18.748 -2.648 7.122 1.00 14.54 O ATOM 12 CB MET A 2 18.617 0.791 6.949 1.00 72.22 C ATOM 13 CG MET A 2 18.940 2.149 7.573 1.00 64.21 C ATOM 14 SD MET A 2 17.705 2.819 8.719 1.00 54.40 S ATOM 15 CE MET A 2 16.647 3.731 7.565 1.00 12.15 C ATOM 0 H MET A 2 19.890 -0.285 9.579 1.00 72.40 H new ATOM 0 HA MET A 2 17.896 -0.113 8.766 1.00 52.10 H new ATOM 0 HB2 MET A 2 19.354 0.570 6.177 1.00 72.22 H new ATOM 0 HB3 MET A 2 17.647 0.848 6.456 1.00 72.22 H new ATOM 0 HG2 MET A 2 19.889 2.065 8.103 1.00 64.21 H new ATOM 0 HG3 MET A 2 19.087 2.869 6.768 1.00 64.21 H new ATOM 0 HE1 MET A 2 15.641 3.808 7.977 1.00 12.15 H new ATOM 0 HE2 MET A 2 17.053 4.731 7.411 1.00 12.15 H new ATOM 0 HE3 MET A 2 16.609 3.204 6.612 1.00 12.15 H new ATOM 25 N ARG A 3 16.733 -1.666 7.114 1.00 2.23 N ATOM 26 CA ARG A 3 15.976 -2.705 6.424 1.00 42.41 C ATOM 27 C ARG A 3 15.965 -2.354 4.943 1.00 25.31 C ATOM 28 O ARG A 3 14.986 -1.828 4.422 1.00 53.52 O ATOM 29 CB ARG A 3 14.541 -2.794 6.972 1.00 33.12 C ATOM 30 CG ARG A 3 14.425 -3.576 8.288 1.00 23.02 C ATOM 31 CD ARG A 3 14.150 -5.067 8.050 1.00 31.02 C ATOM 32 NE ARG A 3 15.285 -5.806 7.482 1.00 30.25 N ATOM 33 CZ ARG A 3 15.556 -7.106 7.627 1.00 44.43 C ATOM 34 NH1 ARG A 3 14.818 -7.873 8.429 1.00 54.12 N ATOM 35 NH2 ARG A 3 16.574 -7.631 6.948 1.00 61.21 N ATOM 0 H ARG A 3 16.138 -0.891 7.407 1.00 2.23 H new ATOM 0 HA ARG A 3 16.439 -3.679 6.582 1.00 42.41 H new ATOM 0 HB2 ARG A 3 14.158 -1.785 7.125 1.00 33.12 H new ATOM 0 HB3 ARG A 3 13.905 -3.266 6.223 1.00 33.12 H new ATOM 0 HG2 ARG A 3 15.347 -3.464 8.858 1.00 23.02 H new ATOM 0 HG3 ARG A 3 13.623 -3.152 8.892 1.00 23.02 H new ATOM 0 HD2 ARG A 3 13.868 -5.528 8.996 1.00 31.02 H new ATOM 0 HD3 ARG A 3 13.296 -5.165 7.380 1.00 31.02 H new ATOM 0 HE ARG A 3 15.939 -5.267 6.914 1.00 30.25 H new ATOM 0 HH11 ARG A 3 14.034 -7.469 8.942 1.00 54.12 H new ATOM 0 HH12 ARG A 3 15.037 -8.864 8.530 1.00 54.12 H new ATOM 0 HH21 ARG A 3 17.132 -7.042 6.330 1.00 61.21 H new ATOM 0 HH22 ARG A 3 16.796 -8.622 7.046 1.00 61.21 H new ATOM 49 N ILE A 4 17.077 -2.608 4.271 1.00 32.21 N ATOM 50 CA ILE A 4 17.249 -2.248 2.867 1.00 51.23 C ATOM 51 C ILE A 4 17.065 -3.537 2.051 1.00 3.25 C ATOM 52 O ILE A 4 17.504 -4.611 2.487 1.00 44.33 O ATOM 53 CB ILE A 4 18.580 -1.486 2.658 1.00 62.12 C ATOM 54 CG1 ILE A 4 18.487 -0.138 3.404 1.00 50.53 C ATOM 55 CG2 ILE A 4 18.870 -1.213 1.172 1.00 43.41 C ATOM 56 CD1 ILE A 4 19.754 0.719 3.353 1.00 65.41 C ATOM 0 H ILE A 4 17.888 -3.070 4.682 1.00 32.21 H new ATOM 0 HA ILE A 4 16.503 -1.537 2.512 1.00 51.23 H new ATOM 0 HB ILE A 4 19.391 -2.105 3.043 1.00 62.12 H new ATOM 0 HG12 ILE A 4 17.661 0.436 2.984 1.00 50.53 H new ATOM 0 HG13 ILE A 4 18.241 -0.334 4.448 1.00 50.53 H new ATOM 0 HG21 ILE A 4 19.814 -0.676 1.078 1.00 43.41 H new ATOM 0 HG22 ILE A 4 18.935 -2.159 0.634 1.00 43.41 H new ATOM 0 HG23 ILE A 4 18.066 -0.610 0.749 1.00 43.41 H new ATOM 0 HD11 ILE A 4 19.590 1.644 3.905 1.00 65.41 H new ATOM 0 HD12 ILE A 4 20.582 0.171 3.802 1.00 65.41 H new ATOM 0 HD13 ILE A 4 19.994 0.953 2.316 1.00 65.41 H new ATOM 68 N PRO A 5 16.353 -3.476 0.912 1.00 23.05 N ATOM 69 CA PRO A 5 16.049 -4.658 0.129 1.00 14.12 C ATOM 70 C PRO A 5 17.235 -5.113 -0.699 1.00 2.25 C ATOM 71 O PRO A 5 18.046 -4.309 -1.164 1.00 24.11 O ATOM 72 CB PRO A 5 14.893 -4.272 -0.799 1.00 21.45 C ATOM 73 CG PRO A 5 15.035 -2.764 -0.936 1.00 10.11 C ATOM 74 CD PRO A 5 15.615 -2.331 0.403 1.00 34.33 C ATOM 0 HA PRO A 5 15.793 -5.486 0.790 1.00 14.12 H new ATOM 0 HB2 PRO A 5 14.970 -4.772 -1.765 1.00 21.45 H new ATOM 0 HB3 PRO A 5 13.928 -4.547 -0.374 1.00 21.45 H new ATOM 0 HG2 PRO A 5 15.694 -2.498 -1.762 1.00 10.11 H new ATOM 0 HG3 PRO A 5 14.074 -2.287 -1.129 1.00 10.11 H new ATOM 0 HD2 PRO A 5 16.269 -1.467 0.283 1.00 34.33 H new ATOM 0 HD3 PRO A 5 14.824 -2.038 1.094 1.00 34.33 H new ATOM 82 N SER A 6 17.284 -6.418 -0.947 1.00 10.12 N ATOM 83 CA SER A 6 18.088 -7.013 -2.001 1.00 72.20 C ATOM 84 C SER A 6 17.289 -7.196 -3.300 1.00 22.05 C ATOM 85 O SER A 6 17.865 -7.625 -4.299 1.00 21.12 O ATOM 86 CB SER A 6 18.604 -8.356 -1.500 1.00 63.31 C ATOM 87 OG SER A 6 19.453 -8.210 -0.372 1.00 43.24 O ATOM 0 H SER A 6 16.754 -7.103 -0.408 1.00 10.12 H new ATOM 0 HA SER A 6 18.917 -6.346 -2.236 1.00 72.20 H new ATOM 0 HB2 SER A 6 17.760 -8.994 -1.239 1.00 63.31 H new ATOM 0 HB3 SER A 6 19.147 -8.858 -2.301 1.00 63.31 H new ATOM 0 HG SER A 6 20.006 -9.013 -0.272 1.00 43.24 H new ATOM 93 N ALA A 7 15.985 -6.901 -3.309 1.00 51.53 N ATOM 94 CA ALA A 7 15.116 -7.010 -4.476 1.00 71.00 C ATOM 95 C ALA A 7 14.178 -5.805 -4.556 1.00 25.13 C ATOM 96 O ALA A 7 13.438 -5.546 -3.606 1.00 51.51 O ATOM 97 CB ALA A 7 14.313 -8.313 -4.388 1.00 42.32 C ATOM 0 H ALA A 7 15.495 -6.570 -2.478 1.00 51.53 H new ATOM 0 HA ALA A 7 15.724 -7.024 -5.380 1.00 71.00 H new ATOM 0 HB1 ALA A 7 13.662 -8.399 -5.258 1.00 42.32 H new ATOM 0 HB2 ALA A 7 14.997 -9.161 -4.362 1.00 42.32 H new ATOM 0 HB3 ALA A 7 13.708 -8.307 -3.481 1.00 42.32 H new ATOM 103 N ILE A 8 14.169 -5.109 -5.697 1.00 33.13 N ATOM 104 CA ILE A 8 13.082 -4.210 -6.076 1.00 32.11 C ATOM 105 C ILE A 8 12.410 -4.823 -7.302 1.00 64.12 C ATOM 106 O ILE A 8 13.056 -5.015 -8.337 1.00 61.23 O ATOM 107 CB ILE A 8 13.530 -2.756 -6.332 1.00 74.32 C ATOM 108 CG1 ILE A 8 14.294 -2.102 -5.169 1.00 23.11 C ATOM 109 CG2 ILE A 8 12.295 -1.911 -6.708 1.00 22.03 C ATOM 110 CD1 ILE A 8 13.466 -1.882 -3.908 1.00 50.33 C ATOM 0 H ILE A 8 14.921 -5.156 -6.385 1.00 33.13 H new ATOM 0 HA ILE A 8 12.384 -4.122 -5.243 1.00 32.11 H new ATOM 0 HB ILE A 8 14.247 -2.793 -7.152 1.00 74.32 H new ATOM 0 HG12 ILE A 8 15.152 -2.726 -4.920 1.00 23.11 H new ATOM 0 HG13 ILE A 8 14.685 -1.141 -5.503 1.00 23.11 H new ATOM 0 HG21 ILE A 8 12.601 -0.881 -6.891 1.00 22.03 H new ATOM 0 HG22 ILE A 8 11.836 -2.319 -7.609 1.00 22.03 H new ATOM 0 HG23 ILE A 8 11.575 -1.936 -5.890 1.00 22.03 H new ATOM 0 HD11 ILE A 8 14.086 -1.417 -3.142 1.00 50.33 H new ATOM 0 HD12 ILE A 8 12.622 -1.231 -4.136 1.00 50.33 H new ATOM 0 HD13 ILE A 8 13.097 -2.841 -3.543 1.00 50.33 H new ATOM 122 N GLN A 9 11.128 -5.144 -7.194 1.00 71.24 N ATOM 123 CA GLN A 9 10.289 -5.660 -8.261 1.00 64.00 C ATOM 124 C GLN A 9 8.901 -5.114 -7.982 1.00 53.21 C ATOM 125 O GLN A 9 8.314 -5.492 -6.977 1.00 50.54 O ATOM 126 CB GLN A 9 10.304 -7.201 -8.243 1.00 34.42 C ATOM 127 CG GLN A 9 11.232 -7.784 -9.311 1.00 71.00 C ATOM 128 CD GLN A 9 11.776 -9.155 -8.911 1.00 71.30 C ATOM 129 OE1 GLN A 9 12.976 -9.291 -8.692 1.00 65.31 O ATOM 130 NE2 GLN A 9 10.940 -10.172 -8.784 1.00 10.52 N ATOM 0 H GLN A 9 10.622 -5.046 -6.314 1.00 71.24 H new ATOM 0 HA GLN A 9 10.636 -5.358 -9.249 1.00 64.00 H new ATOM 0 HB2 GLN A 9 10.622 -7.548 -7.260 1.00 34.42 H new ATOM 0 HB3 GLN A 9 9.292 -7.574 -8.401 1.00 34.42 H new ATOM 0 HG2 GLN A 9 10.691 -7.870 -10.253 1.00 71.00 H new ATOM 0 HG3 GLN A 9 12.063 -7.100 -9.481 1.00 71.00 H new ATOM 0 HE21 GLN A 9 9.946 -10.041 -8.970 1.00 10.52 H new ATOM 0 HE22 GLN A 9 11.290 -11.087 -8.500 1.00 10.52 H new ATOM 139 N LEU A 10 8.399 -4.214 -8.834 1.00 14.35 N ATOM 140 CA LEU A 10 6.997 -3.778 -8.810 1.00 52.54 C ATOM 141 C LEU A 10 6.073 -4.719 -9.590 1.00 10.35 C ATOM 142 O LEU A 10 4.862 -4.502 -9.602 1.00 45.12 O ATOM 143 CB LEU A 10 6.847 -2.338 -9.344 1.00 14.23 C ATOM 144 CG LEU A 10 6.804 -2.130 -10.878 1.00 33.32 C ATOM 145 CD1 LEU A 10 6.580 -0.652 -11.218 1.00 34.33 C ATOM 146 CD2 LEU A 10 8.094 -2.579 -11.568 1.00 32.15 C ATOM 0 H LEU A 10 8.955 -3.765 -9.562 1.00 14.35 H new ATOM 0 HA LEU A 10 6.692 -3.805 -7.764 1.00 52.54 H new ATOM 0 HB2 LEU A 10 5.931 -1.921 -8.925 1.00 14.23 H new ATOM 0 HB3 LEU A 10 7.675 -1.748 -8.951 1.00 14.23 H new ATOM 0 HG LEU A 10 5.978 -2.742 -11.240 1.00 33.32 H new ATOM 0 HD11 LEU A 10 6.553 -0.528 -12.301 1.00 34.33 H new ATOM 0 HD12 LEU A 10 5.634 -0.320 -10.791 1.00 34.33 H new ATOM 0 HD13 LEU A 10 7.394 -0.056 -10.805 1.00 34.33 H new ATOM 0 HD21 LEU A 10 8.010 -2.411 -12.642 1.00 32.15 H new ATOM 0 HD22 LEU A 10 8.935 -2.006 -11.176 1.00 32.15 H new ATOM 0 HD23 LEU A 10 8.258 -3.640 -11.379 1.00 32.15 H new ATOM 158 N HIS A 11 6.651 -5.687 -10.308 1.00 22.22 N ATOM 159 CA HIS A 11 5.990 -6.585 -11.238 1.00 32.02 C ATOM 160 C HIS A 11 5.002 -5.826 -12.118 1.00 25.15 C ATOM 161 O HIS A 11 3.800 -6.006 -11.970 1.00 64.02 O ATOM 162 CB HIS A 11 5.379 -7.813 -10.548 1.00 53.11 C ATOM 163 CG HIS A 11 6.421 -8.828 -10.187 1.00 50.51 C ATOM 164 ND1 HIS A 11 6.906 -9.814 -11.015 1.00 23.43 N ATOM 165 CD2 HIS A 11 7.067 -8.914 -8.990 1.00 11.24 C ATOM 166 CE1 HIS A 11 7.831 -10.493 -10.320 1.00 4.12 C ATOM 167 NE2 HIS A 11 7.992 -9.963 -9.094 1.00 42.30 N ATOM 0 H HIS A 11 7.653 -5.869 -10.246 1.00 22.22 H new ATOM 0 HA HIS A 11 6.753 -6.994 -11.901 1.00 32.02 H new ATOM 0 HB2 HIS A 11 4.852 -7.498 -9.648 1.00 53.11 H new ATOM 0 HB3 HIS A 11 4.640 -8.270 -11.207 1.00 53.11 H new ATOM 0 HD1 HIS A 11 6.617 -9.995 -11.976 1.00 23.43 H new ATOM 0 HD2 HIS A 11 6.898 -8.291 -8.124 1.00 11.24 H new ATOM 0 HE1 HIS A 11 8.373 -11.349 -10.694 1.00 4.12 H new ATOM 175 N LYS A 12 5.454 -4.990 -13.055 1.00 61.04 N ATOM 176 CA LYS A 12 4.536 -4.287 -13.963 1.00 31.34 C ATOM 177 C LYS A 12 3.695 -5.269 -14.809 1.00 73.11 C ATOM 178 O LYS A 12 2.723 -4.850 -15.445 1.00 50.44 O ATOM 179 CB LYS A 12 5.293 -3.231 -14.796 1.00 54.34 C ATOM 180 CG LYS A 12 4.698 -1.805 -14.695 1.00 34.24 C ATOM 181 CD LYS A 12 3.850 -1.415 -15.919 1.00 65.11 C ATOM 182 CE LYS A 12 3.048 -0.114 -15.747 1.00 3.43 C ATOM 183 NZ LYS A 12 1.971 -0.242 -14.744 1.00 11.44 N ATOM 0 H LYS A 12 6.441 -4.782 -13.207 1.00 61.04 H new ATOM 0 HA LYS A 12 3.808 -3.739 -13.364 1.00 31.34 H new ATOM 0 HB2 LYS A 12 6.333 -3.204 -14.471 1.00 54.34 H new ATOM 0 HB3 LYS A 12 5.294 -3.540 -15.841 1.00 54.34 H new ATOM 0 HG2 LYS A 12 4.082 -1.738 -13.798 1.00 34.24 H new ATOM 0 HG3 LYS A 12 5.510 -1.087 -14.579 1.00 34.24 H new ATOM 0 HD2 LYS A 12 4.507 -1.311 -16.783 1.00 65.11 H new ATOM 0 HD3 LYS A 12 3.158 -2.228 -16.140 1.00 65.11 H new ATOM 0 HE2 LYS A 12 3.723 0.689 -15.450 1.00 3.43 H new ATOM 0 HE3 LYS A 12 2.615 0.172 -16.706 1.00 3.43 H new ATOM 0 HZ1 LYS A 12 1.171 0.366 -15.014 1.00 11.44 H new ATOM 0 HZ2 LYS A 12 1.654 -1.232 -14.699 1.00 11.44 H new ATOM 0 HZ3 LYS A 12 2.328 0.050 -13.812 1.00 11.44 H new ATOM 197 N ALA A 13 3.994 -6.572 -14.776 1.00 73.12 N ATOM 198 CA ALA A 13 3.032 -7.638 -15.029 1.00 41.44 C ATOM 199 C ALA A 13 1.816 -7.549 -14.079 1.00 53.20 C ATOM 200 O ALA A 13 0.779 -7.015 -14.471 1.00 65.43 O ATOM 201 CB ALA A 13 3.743 -8.995 -14.942 1.00 73.31 C ATOM 0 H ALA A 13 4.931 -6.917 -14.568 1.00 73.12 H new ATOM 0 HA ALA A 13 2.631 -7.524 -16.036 1.00 41.44 H new ATOM 0 HB1 ALA A 13 3.026 -9.794 -15.131 1.00 73.31 H new ATOM 0 HB2 ALA A 13 4.538 -9.038 -15.686 1.00 73.31 H new ATOM 0 HB3 ALA A 13 4.171 -9.119 -13.947 1.00 73.31 H new ATOM 207 N SER A 14 1.890 -8.116 -12.865 1.00 70.43 N ATOM 208 CA SER A 14 0.724 -8.351 -11.994 1.00 1.52 C ATOM 209 C SER A 14 0.415 -7.193 -11.024 1.00 13.32 C ATOM 210 O SER A 14 -0.679 -7.122 -10.462 1.00 33.05 O ATOM 211 CB SER A 14 0.948 -9.660 -11.224 1.00 64.23 C ATOM 212 OG SER A 14 -0.233 -10.430 -11.133 1.00 71.33 O ATOM 0 H SER A 14 2.770 -8.428 -12.454 1.00 70.43 H new ATOM 0 HA SER A 14 -0.153 -8.420 -12.637 1.00 1.52 H new ATOM 0 HB2 SER A 14 1.724 -10.244 -11.719 1.00 64.23 H new ATOM 0 HB3 SER A 14 1.311 -9.433 -10.222 1.00 64.23 H new ATOM 0 HG SER A 14 -0.048 -11.255 -10.638 1.00 71.33 H new ATOM 218 N LYS A 15 1.325 -6.224 -10.919 1.00 3.42 N ATOM 219 CA LYS A 15 1.351 -5.052 -10.051 1.00 34.33 C ATOM 220 C LYS A 15 1.553 -5.436 -8.593 1.00 22.01 C ATOM 221 O LYS A 15 0.728 -5.134 -7.722 1.00 25.44 O ATOM 222 CB LYS A 15 0.152 -4.148 -10.317 1.00 73.11 C ATOM 223 CG LYS A 15 0.003 -3.832 -11.809 1.00 54.54 C ATOM 224 CD LYS A 15 -1.183 -4.497 -12.512 1.00 63.31 C ATOM 225 CE LYS A 15 -2.487 -4.286 -11.764 1.00 51.20 C ATOM 226 NZ LYS A 15 -3.096 -5.559 -11.324 1.00 34.42 N ATOM 0 H LYS A 15 2.156 -6.247 -11.510 1.00 3.42 H new ATOM 0 HA LYS A 15 2.225 -4.449 -10.297 1.00 34.33 H new ATOM 0 HB2 LYS A 15 -0.756 -4.631 -9.954 1.00 73.11 H new ATOM 0 HB3 LYS A 15 0.265 -3.219 -9.757 1.00 73.11 H new ATOM 0 HG2 LYS A 15 -0.088 -2.752 -11.926 1.00 54.54 H new ATOM 0 HG3 LYS A 15 0.919 -4.132 -12.319 1.00 54.54 H new ATOM 0 HD2 LYS A 15 -1.276 -4.096 -13.521 1.00 63.31 H new ATOM 0 HD3 LYS A 15 -0.992 -5.566 -12.610 1.00 63.31 H new ATOM 0 HE2 LYS A 15 -2.306 -3.653 -10.895 1.00 51.20 H new ATOM 0 HE3 LYS A 15 -3.189 -3.753 -12.406 1.00 51.20 H new ATOM 0 HZ1 LYS A 15 -3.757 -5.376 -10.542 1.00 34.42 H new ATOM 0 HZ2 LYS A 15 -3.610 -5.991 -12.118 1.00 34.42 H new ATOM 0 HZ3 LYS A 15 -2.350 -6.208 -11.001 1.00 34.42 H new ATOM 240 N THR A 16 2.704 -6.041 -8.326 1.00 53.32 N ATOM 241 CA THR A 16 3.027 -6.659 -7.059 1.00 61.10 C ATOM 242 C THR A 16 4.411 -6.173 -6.636 1.00 24.05 C ATOM 243 O THR A 16 5.391 -6.426 -7.331 1.00 31.45 O ATOM 244 CB THR A 16 2.955 -8.185 -7.229 1.00 2.24 C ATOM 245 OG1 THR A 16 1.704 -8.561 -7.776 1.00 62.22 O ATOM 246 CG2 THR A 16 3.141 -8.903 -5.901 1.00 3.45 C ATOM 0 H THR A 16 3.457 -6.114 -9.010 1.00 53.32 H new ATOM 0 HA THR A 16 2.323 -6.385 -6.274 1.00 61.10 H new ATOM 0 HB THR A 16 3.761 -8.473 -7.903 1.00 2.24 H new ATOM 0 HG1 THR A 16 1.672 -9.535 -7.881 1.00 62.22 H new ATOM 0 HG21 THR A 16 3.084 -9.980 -6.059 1.00 3.45 H new ATOM 0 HG22 THR A 16 4.115 -8.648 -5.483 1.00 3.45 H new ATOM 0 HG23 THR A 16 2.357 -8.596 -5.208 1.00 3.45 H new ATOM 254 N LEU A 17 4.490 -5.401 -5.549 1.00 5.12 N ATOM 255 CA LEU A 17 5.765 -5.027 -4.945 1.00 21.42 C ATOM 256 C LEU A 17 6.305 -6.234 -4.171 1.00 4.33 C ATOM 257 O LEU A 17 5.631 -6.739 -3.275 1.00 10.32 O ATOM 258 CB LEU A 17 5.597 -3.810 -4.028 1.00 71.33 C ATOM 259 CG LEU A 17 6.941 -3.267 -3.500 1.00 45.12 C ATOM 260 CD1 LEU A 17 7.793 -2.610 -4.593 1.00 71.11 C ATOM 261 CD2 LEU A 17 6.694 -2.217 -2.417 1.00 12.43 C ATOM 0 H LEU A 17 3.675 -5.021 -5.067 1.00 5.12 H new ATOM 0 HA LEU A 17 6.476 -4.745 -5.722 1.00 21.42 H new ATOM 0 HB2 LEU A 17 5.080 -3.020 -4.572 1.00 71.33 H new ATOM 0 HB3 LEU A 17 4.964 -4.082 -3.184 1.00 71.33 H new ATOM 0 HG LEU A 17 7.480 -4.130 -3.109 1.00 45.12 H new ATOM 0 HD11 LEU A 17 8.725 -2.248 -4.159 1.00 71.11 H new ATOM 0 HD12 LEU A 17 8.014 -3.341 -5.371 1.00 71.11 H new ATOM 0 HD13 LEU A 17 7.246 -1.773 -5.027 1.00 71.11 H new ATOM 0 HD21 LEU A 17 7.649 -1.840 -2.051 1.00 12.43 H new ATOM 0 HD22 LEU A 17 6.115 -1.393 -2.834 1.00 12.43 H new ATOM 0 HD23 LEU A 17 6.142 -2.668 -1.592 1.00 12.43 H new ATOM 273 N THR A 18 7.510 -6.686 -4.493 1.00 25.45 N ATOM 274 CA THR A 18 8.017 -7.995 -4.097 1.00 24.32 C ATOM 275 C THR A 18 9.255 -7.795 -3.229 1.00 44.50 C ATOM 276 O THR A 18 10.295 -7.343 -3.714 1.00 50.42 O ATOM 277 CB THR A 18 8.230 -8.795 -5.386 1.00 73.31 C ATOM 278 OG1 THR A 18 6.955 -9.081 -5.917 1.00 3.45 O ATOM 279 CG2 THR A 18 9.033 -10.080 -5.227 1.00 72.33 C ATOM 0 H THR A 18 8.174 -6.145 -5.046 1.00 25.45 H new ATOM 0 HA THR A 18 7.330 -8.572 -3.478 1.00 24.32 H new ATOM 0 HB THR A 18 8.835 -8.181 -6.053 1.00 73.31 H new ATOM 0 HG1 THR A 18 6.846 -10.051 -6.002 1.00 3.45 H new ATOM 0 HG21 THR A 18 9.128 -10.572 -6.195 1.00 72.33 H new ATOM 0 HG22 THR A 18 10.025 -9.844 -4.841 1.00 72.33 H new ATOM 0 HG23 THR A 18 8.522 -10.745 -4.531 1.00 72.33 H new ATOM 287 N LEU A 19 9.128 -8.054 -1.928 1.00 4.44 N ATOM 288 CA LEU A 19 10.053 -7.619 -0.887 1.00 43.13 C ATOM 289 C LEU A 19 10.545 -8.829 -0.106 1.00 50.40 C ATOM 290 O LEU A 19 9.756 -9.514 0.542 1.00 33.13 O ATOM 291 CB LEU A 19 9.351 -6.604 0.038 1.00 24.25 C ATOM 292 CG LEU A 19 9.001 -5.268 -0.636 1.00 43.24 C ATOM 293 CD1 LEU A 19 8.272 -4.347 0.349 1.00 25.23 C ATOM 294 CD2 LEU A 19 10.235 -4.514 -1.154 1.00 24.22 C ATOM 0 H LEU A 19 8.346 -8.594 -1.558 1.00 4.44 H new ATOM 0 HA LEU A 19 10.916 -7.129 -1.337 1.00 43.13 H new ATOM 0 HB2 LEU A 19 8.436 -7.054 0.423 1.00 24.25 H new ATOM 0 HB3 LEU A 19 9.994 -6.407 0.896 1.00 24.25 H new ATOM 0 HG LEU A 19 8.367 -5.522 -1.485 1.00 43.24 H new ATOM 0 HD11 LEU A 19 8.031 -3.405 -0.144 1.00 25.23 H new ATOM 0 HD12 LEU A 19 7.352 -4.827 0.683 1.00 25.23 H new ATOM 0 HD13 LEU A 19 8.913 -4.153 1.209 1.00 25.23 H new ATOM 0 HD21 LEU A 19 9.922 -3.579 -1.619 1.00 24.22 H new ATOM 0 HD22 LEU A 19 10.905 -4.298 -0.322 1.00 24.22 H new ATOM 0 HD23 LEU A 19 10.755 -5.128 -1.889 1.00 24.22 H new ATOM 306 N ARG A 20 11.855 -9.084 -0.162 1.00 25.33 N ATOM 307 CA ARG A 20 12.472 -10.214 0.529 1.00 51.32 C ATOM 308 C ARG A 20 12.857 -9.776 1.940 1.00 10.15 C ATOM 309 O ARG A 20 13.956 -9.236 2.093 1.00 73.41 O ATOM 310 CB ARG A 20 13.655 -10.751 -0.303 1.00 12.51 C ATOM 311 CG ARG A 20 14.237 -12.042 0.295 1.00 43.13 C ATOM 312 CD ARG A 20 15.314 -12.655 -0.612 1.00 11.44 C ATOM 313 NE ARG A 20 16.574 -11.891 -0.578 1.00 30.24 N ATOM 314 CZ ARG A 20 17.781 -12.350 -0.938 1.00 41.50 C ATOM 315 NH1 ARG A 20 17.937 -13.575 -1.434 1.00 24.02 N ATOM 316 NH2 ARG A 20 18.836 -11.558 -0.786 1.00 71.31 N ATOM 0 H ARG A 20 12.515 -8.512 -0.688 1.00 25.33 H new ATOM 0 HA ARG A 20 11.775 -11.046 0.632 1.00 51.32 H new ATOM 0 HB2 ARG A 20 13.324 -10.941 -1.324 1.00 12.51 H new ATOM 0 HB3 ARG A 20 14.435 -9.992 -0.357 1.00 12.51 H new ATOM 0 HG2 ARG A 20 14.665 -11.828 1.274 1.00 43.13 H new ATOM 0 HG3 ARG A 20 13.436 -12.765 0.448 1.00 43.13 H new ATOM 0 HD2 ARG A 20 15.506 -13.682 -0.302 1.00 11.44 H new ATOM 0 HD3 ARG A 20 14.944 -12.695 -1.636 1.00 11.44 H new ATOM 0 HE ARG A 20 16.523 -10.926 -0.251 1.00 30.24 H new ATOM 0 HH11 ARG A 20 17.128 -14.186 -1.547 1.00 24.02 H new ATOM 0 HH12 ARG A 20 18.865 -13.903 -1.701 1.00 24.02 H new ATOM 0 HH21 ARG A 20 18.719 -10.620 -0.402 1.00 71.31 H new ATOM 0 HH22 ARG A 20 19.764 -11.887 -1.053 1.00 71.31 H new ATOM 330 N TYR A 21 11.958 -9.848 2.924 1.00 10.32 N ATOM 331 CA TYR A 21 12.224 -9.503 4.316 1.00 62.04 C ATOM 332 C TYR A 21 13.190 -10.530 4.892 1.00 32.15 C ATOM 333 O TYR A 21 12.793 -11.664 5.153 1.00 74.03 O ATOM 334 CB TYR A 21 10.916 -9.487 5.127 1.00 5.15 C ATOM 335 CG TYR A 21 11.089 -9.001 6.560 1.00 32.05 C ATOM 336 CD1 TYR A 21 11.627 -9.861 7.541 1.00 4.15 C ATOM 337 CD2 TYR A 21 10.742 -7.681 6.916 1.00 51.32 C ATOM 338 CE1 TYR A 21 11.896 -9.385 8.835 1.00 42.10 C ATOM 339 CE2 TYR A 21 10.999 -7.202 8.212 1.00 71.33 C ATOM 340 CZ TYR A 21 11.599 -8.047 9.167 1.00 24.34 C ATOM 341 OH TYR A 21 11.958 -7.568 10.386 1.00 63.03 O ATOM 0 H TYR A 21 10.999 -10.157 2.767 1.00 10.32 H new ATOM 0 HA TYR A 21 12.664 -8.507 4.370 1.00 62.04 H new ATOM 0 HB2 TYR A 21 10.193 -8.847 4.621 1.00 5.15 H new ATOM 0 HB3 TYR A 21 10.496 -10.493 5.142 1.00 5.15 H new ATOM 0 HD1 TYR A 21 11.833 -10.892 7.295 1.00 4.15 H new ATOM 0 HD2 TYR A 21 10.276 -7.034 6.188 1.00 51.32 H new ATOM 0 HE1 TYR A 21 12.329 -10.042 9.574 1.00 42.10 H new ATOM 0 HE2 TYR A 21 10.737 -6.188 8.476 1.00 71.33 H new ATOM 0 HH TYR A 21 11.685 -6.630 10.462 1.00 63.03 H new ATOM 351 N GLY A 22 14.445 -10.149 5.120 1.00 10.22 N ATOM 352 CA GLY A 22 15.417 -11.018 5.757 1.00 25.32 C ATOM 353 C GLY A 22 15.809 -12.142 4.819 1.00 43.40 C ATOM 354 O GLY A 22 16.744 -11.987 4.028 1.00 50.14 O ATOM 0 H GLY A 22 14.811 -9.231 4.867 1.00 10.22 H new ATOM 0 HA2 GLY A 22 16.300 -10.444 6.037 1.00 25.32 H new ATOM 0 HA3 GLY A 22 15.000 -11.430 6.676 1.00 25.32 H new ATOM 358 N GLU A 23 15.074 -13.243 4.898 1.00 3.41 N ATOM 359 CA GLU A 23 15.225 -14.422 4.059 1.00 61.20 C ATOM 360 C GLU A 23 13.943 -14.766 3.299 1.00 32.03 C ATOM 361 O GLU A 23 13.944 -15.704 2.500 1.00 2.22 O ATOM 362 CB GLU A 23 15.664 -15.618 4.912 1.00 74.13 C ATOM 363 CG GLU A 23 16.983 -15.369 5.634 1.00 44.11 C ATOM 364 CD GLU A 23 17.716 -16.672 5.908 1.00 63.22 C ATOM 365 OE1 GLU A 23 17.259 -17.465 6.760 1.00 63.21 O ATOM 366 OE2 GLU A 23 18.787 -16.886 5.292 1.00 11.53 O ATOM 0 H GLU A 23 14.322 -13.342 5.580 1.00 3.41 H new ATOM 0 HA GLU A 23 15.990 -14.195 3.317 1.00 61.20 H new ATOM 0 HB2 GLU A 23 14.889 -15.841 5.645 1.00 74.13 H new ATOM 0 HB3 GLU A 23 15.763 -16.497 4.275 1.00 74.13 H new ATOM 0 HG2 GLU A 23 17.613 -14.715 5.031 1.00 44.11 H new ATOM 0 HG3 GLU A 23 16.794 -14.851 6.574 1.00 44.11 H new ATOM 373 N ASP A 24 12.846 -14.037 3.523 1.00 64.32 N ATOM 374 CA ASP A 24 11.495 -14.496 3.202 1.00 23.14 C ATOM 375 C ASP A 24 10.837 -13.571 2.197 1.00 53.22 C ATOM 376 O ASP A 24 10.936 -12.352 2.327 1.00 33.21 O ATOM 377 CB ASP A 24 10.641 -14.594 4.466 1.00 54.11 C ATOM 378 CG ASP A 24 11.059 -15.759 5.349 1.00 25.23 C ATOM 379 OD1 ASP A 24 11.005 -16.917 4.878 1.00 3.12 O ATOM 380 OD2 ASP A 24 11.443 -15.510 6.517 1.00 51.23 O ATOM 0 H ASP A 24 12.873 -13.105 3.936 1.00 64.32 H new ATOM 0 HA ASP A 24 11.575 -15.489 2.759 1.00 23.14 H new ATOM 0 HB2 ASP A 24 10.721 -13.665 5.030 1.00 54.11 H new ATOM 0 HB3 ASP A 24 9.593 -14.708 4.187 1.00 54.11 H new ATOM 385 N SER A 25 10.196 -14.142 1.179 1.00 5.12 N ATOM 386 CA SER A 25 9.676 -13.417 0.027 1.00 24.34 C ATOM 387 C SER A 25 8.172 -13.185 0.188 1.00 25.31 C ATOM 388 O SER A 25 7.383 -14.132 0.167 1.00 53.22 O ATOM 389 CB SER A 25 10.031 -14.147 -1.285 1.00 61.12 C ATOM 390 OG SER A 25 10.634 -15.423 -1.080 1.00 51.34 O ATOM 0 H SER A 25 10.021 -15.146 1.134 1.00 5.12 H new ATOM 0 HA SER A 25 10.150 -12.437 -0.027 1.00 24.34 H new ATOM 0 HB2 SER A 25 9.125 -14.273 -1.878 1.00 61.12 H new ATOM 0 HB3 SER A 25 10.709 -13.523 -1.867 1.00 61.12 H new ATOM 0 HG SER A 25 10.833 -15.834 -1.947 1.00 51.34 H new ATOM 396 N TYR A 26 7.790 -11.921 0.379 1.00 54.54 N ATOM 397 CA TYR A 26 6.424 -11.440 0.518 1.00 65.01 C ATOM 398 C TYR A 26 6.117 -10.540 -0.675 1.00 52.31 C ATOM 399 O TYR A 26 6.981 -9.766 -1.102 1.00 12.21 O ATOM 400 CB TYR A 26 6.309 -10.674 1.843 1.00 34.34 C ATOM 401 CG TYR A 26 6.855 -11.396 3.069 1.00 45.22 C ATOM 402 CD1 TYR A 26 6.771 -12.795 3.174 1.00 51.11 C ATOM 403 CD2 TYR A 26 7.476 -10.666 4.097 1.00 22.41 C ATOM 404 CE1 TYR A 26 7.251 -13.461 4.312 1.00 54.34 C ATOM 405 CE2 TYR A 26 7.948 -11.322 5.251 1.00 44.32 C ATOM 406 CZ TYR A 26 7.830 -12.724 5.367 1.00 65.40 C ATOM 407 OH TYR A 26 8.299 -13.357 6.479 1.00 5.53 O ATOM 0 H TYR A 26 8.471 -11.164 0.444 1.00 54.54 H new ATOM 0 HA TYR A 26 5.707 -12.261 0.533 1.00 65.01 H new ATOM 0 HB2 TYR A 26 6.833 -9.724 1.740 1.00 34.34 H new ATOM 0 HB3 TYR A 26 5.259 -10.442 2.018 1.00 34.34 H new ATOM 0 HD1 TYR A 26 6.331 -13.365 2.369 1.00 51.11 H new ATOM 0 HD2 TYR A 26 7.592 -9.596 4.002 1.00 22.41 H new ATOM 0 HE1 TYR A 26 7.177 -14.536 4.380 1.00 54.34 H new ATOM 0 HE2 TYR A 26 8.401 -10.751 6.048 1.00 44.32 H new ATOM 0 HH TYR A 26 8.665 -12.695 7.102 1.00 5.53 H new ATOM 417 N ASP A 27 4.914 -10.644 -1.232 1.00 53.50 N ATOM 418 CA ASP A 27 4.589 -10.141 -2.564 1.00 13.54 C ATOM 419 C ASP A 27 3.265 -9.393 -2.458 1.00 12.55 C ATOM 420 O ASP A 27 2.195 -10.000 -2.386 1.00 63.41 O ATOM 421 CB ASP A 27 4.522 -11.316 -3.552 1.00 52.24 C ATOM 422 CG ASP A 27 5.875 -11.659 -4.172 1.00 11.15 C ATOM 423 OD1 ASP A 27 6.787 -12.121 -3.449 1.00 14.35 O ATOM 424 OD2 ASP A 27 6.040 -11.449 -5.398 1.00 3.23 O ATOM 0 H ASP A 27 4.124 -11.087 -0.763 1.00 53.50 H new ATOM 0 HA ASP A 27 5.351 -9.458 -2.938 1.00 13.54 H new ATOM 0 HB2 ASP A 27 4.133 -12.194 -3.036 1.00 52.24 H new ATOM 0 HB3 ASP A 27 3.816 -11.074 -4.347 1.00 52.24 H new ATOM 429 N LEU A 28 3.335 -8.068 -2.335 1.00 73.12 N ATOM 430 CA LEU A 28 2.221 -7.228 -1.916 1.00 73.34 C ATOM 431 C LEU A 28 1.555 -6.550 -3.120 1.00 31.35 C ATOM 432 O LEU A 28 2.257 -6.070 -4.011 1.00 50.13 O ATOM 433 CB LEU A 28 2.771 -6.153 -0.965 1.00 5.53 C ATOM 434 CG LEU A 28 3.446 -6.768 0.279 1.00 30.13 C ATOM 435 CD1 LEU A 28 4.969 -6.886 0.173 1.00 4.12 C ATOM 436 CD2 LEU A 28 3.073 -5.960 1.522 1.00 63.11 C ATOM 0 H LEU A 28 4.186 -7.541 -2.529 1.00 73.12 H new ATOM 0 HA LEU A 28 1.470 -7.844 -1.421 1.00 73.34 H new ATOM 0 HB2 LEU A 28 3.491 -5.532 -1.498 1.00 5.53 H new ATOM 0 HB3 LEU A 28 1.958 -5.499 -0.650 1.00 5.53 H new ATOM 0 HG LEU A 28 3.070 -7.788 0.354 1.00 30.13 H new ATOM 0 HD11 LEU A 28 5.364 -7.327 1.088 1.00 4.12 H new ATOM 0 HD12 LEU A 28 5.227 -7.519 -0.676 1.00 4.12 H new ATOM 0 HD13 LEU A 28 5.402 -5.896 0.032 1.00 4.12 H new ATOM 0 HD21 LEU A 28 3.552 -6.398 2.398 1.00 63.11 H new ATOM 0 HD22 LEU A 28 3.410 -4.930 1.401 1.00 63.11 H new ATOM 0 HD23 LEU A 28 1.991 -5.975 1.655 1.00 63.11 H new ATOM 448 N PRO A 29 0.222 -6.382 -3.133 1.00 41.31 N ATOM 449 CA PRO A 29 -0.470 -5.743 -4.247 1.00 61.12 C ATOM 450 C PRO A 29 -0.325 -4.222 -4.183 1.00 34.43 C ATOM 451 O PRO A 29 -0.191 -3.645 -3.099 1.00 23.32 O ATOM 452 CB PRO A 29 -1.933 -6.161 -4.103 1.00 14.54 C ATOM 453 CG PRO A 29 -2.092 -6.357 -2.601 1.00 5.13 C ATOM 454 CD PRO A 29 -0.730 -6.887 -2.158 1.00 53.24 C ATOM 0 HA PRO A 29 -0.055 -6.046 -5.209 1.00 61.12 H new ATOM 0 HB2 PRO A 29 -2.610 -5.396 -4.483 1.00 14.54 H new ATOM 0 HB3 PRO A 29 -2.146 -7.077 -4.654 1.00 14.54 H new ATOM 0 HG2 PRO A 29 -2.340 -5.422 -2.099 1.00 5.13 H new ATOM 0 HG3 PRO A 29 -2.890 -7.063 -2.372 1.00 5.13 H new ATOM 0 HD2 PRO A 29 -0.483 -6.542 -1.154 1.00 53.24 H new ATOM 0 HD3 PRO A 29 -0.723 -7.977 -2.131 1.00 53.24 H new ATOM 462 N ALA A 30 -0.431 -3.567 -5.343 1.00 24.11 N ATOM 463 CA ALA A 30 -0.314 -2.117 -5.439 1.00 34.11 C ATOM 464 C ALA A 30 -1.366 -1.422 -4.569 1.00 1.44 C ATOM 465 O ALA A 30 -1.065 -0.443 -3.887 1.00 72.01 O ATOM 466 CB ALA A 30 -0.464 -1.670 -6.896 1.00 41.12 C ATOM 0 H ALA A 30 -0.600 -4.029 -6.237 1.00 24.11 H new ATOM 0 HA ALA A 30 0.674 -1.833 -5.076 1.00 34.11 H new ATOM 0 HB1 ALA A 30 -0.375 -0.585 -6.955 1.00 41.12 H new ATOM 0 HB2 ALA A 30 0.317 -2.132 -7.500 1.00 41.12 H new ATOM 0 HB3 ALA A 30 -1.441 -1.975 -7.271 1.00 41.12 H new ATOM 472 N GLU A 31 -2.589 -1.957 -4.583 1.00 34.02 N ATOM 473 CA GLU A 31 -3.725 -1.502 -3.793 1.00 11.31 C ATOM 474 C GLU A 31 -3.354 -1.378 -2.314 1.00 1.44 C ATOM 475 O GLU A 31 -3.513 -0.300 -1.739 1.00 42.24 O ATOM 476 CB GLU A 31 -4.893 -2.471 -4.020 1.00 11.20 C ATOM 477 CG GLU A 31 -6.053 -2.282 -3.020 1.00 52.22 C ATOM 478 CD GLU A 31 -7.313 -3.082 -3.358 1.00 44.31 C ATOM 479 OE1 GLU A 31 -7.213 -4.314 -3.562 1.00 25.44 O ATOM 480 OE2 GLU A 31 -8.431 -2.525 -3.247 1.00 52.13 O ATOM 0 H GLU A 31 -2.820 -2.756 -5.174 1.00 34.02 H new ATOM 0 HA GLU A 31 -4.027 -0.505 -4.113 1.00 11.31 H new ATOM 0 HB2 GLU A 31 -5.272 -2.339 -5.033 1.00 11.20 H new ATOM 0 HB3 GLU A 31 -4.525 -3.494 -3.948 1.00 11.20 H new ATOM 0 HG2 GLU A 31 -5.710 -2.569 -2.026 1.00 52.22 H new ATOM 0 HG3 GLU A 31 -6.310 -1.224 -2.975 1.00 52.22 H new ATOM 487 N PHE A 32 -2.852 -2.457 -1.698 1.00 32.22 N ATOM 488 CA PHE A 32 -2.468 -2.474 -0.285 1.00 11.10 C ATOM 489 C PHE A 32 -1.519 -1.315 0.022 1.00 74.31 C ATOM 490 O PHE A 32 -1.730 -0.558 0.973 1.00 10.42 O ATOM 491 CB PHE A 32 -1.818 -3.822 0.063 1.00 1.11 C ATOM 492 CG PHE A 32 -1.094 -3.857 1.394 1.00 3.54 C ATOM 493 CD1 PHE A 32 -1.784 -4.189 2.573 1.00 14.32 C ATOM 494 CD2 PHE A 32 0.284 -3.568 1.453 1.00 70.22 C ATOM 495 CE1 PHE A 32 -1.101 -4.241 3.800 1.00 54.33 C ATOM 496 CE2 PHE A 32 0.959 -3.606 2.683 1.00 45.14 C ATOM 497 CZ PHE A 32 0.272 -3.946 3.859 1.00 13.54 C ATOM 0 H PHE A 32 -2.701 -3.347 -2.172 1.00 32.22 H new ATOM 0 HA PHE A 32 -3.360 -2.351 0.329 1.00 11.10 H new ATOM 0 HB2 PHE A 32 -2.590 -4.591 0.066 1.00 1.11 H new ATOM 0 HB3 PHE A 32 -1.112 -4.082 -0.725 1.00 1.11 H new ATOM 0 HD1 PHE A 32 -2.842 -4.405 2.536 1.00 14.32 H new ATOM 0 HD2 PHE A 32 0.821 -3.317 0.550 1.00 70.22 H new ATOM 0 HE1 PHE A 32 -1.633 -4.509 4.701 1.00 54.33 H new ATOM 0 HE2 PHE A 32 2.013 -3.372 2.725 1.00 45.14 H new ATOM 0 HZ PHE A 32 0.795 -3.981 4.803 1.00 13.54 H new ATOM 507 N LEU A 33 -0.479 -1.161 -0.804 1.00 30.03 N ATOM 508 CA LEU A 33 0.505 -0.114 -0.614 1.00 43.43 C ATOM 509 C LEU A 33 -0.143 1.264 -0.659 1.00 73.13 C ATOM 510 O LEU A 33 0.067 2.049 0.268 1.00 12.14 O ATOM 511 CB LEU A 33 1.623 -0.226 -1.655 1.00 24.15 C ATOM 512 CG LEU A 33 2.729 -1.192 -1.196 1.00 11.22 C ATOM 513 CD1 LEU A 33 2.967 -2.312 -2.204 1.00 14.12 C ATOM 514 CD2 LEU A 33 4.022 -0.411 -1.008 1.00 63.22 C ATOM 0 H LEU A 33 -0.305 -1.757 -1.613 1.00 30.03 H new ATOM 0 HA LEU A 33 0.946 -0.242 0.375 1.00 43.43 H new ATOM 0 HB2 LEU A 33 1.207 -0.572 -2.601 1.00 24.15 H new ATOM 0 HB3 LEU A 33 2.052 0.759 -1.837 1.00 24.15 H new ATOM 0 HG LEU A 33 2.408 -1.648 -0.259 1.00 11.22 H new ATOM 0 HD11 LEU A 33 3.756 -2.969 -1.838 1.00 14.12 H new ATOM 0 HD12 LEU A 33 2.049 -2.885 -2.335 1.00 14.12 H new ATOM 0 HD13 LEU A 33 3.266 -1.883 -3.160 1.00 14.12 H new ATOM 0 HD21 LEU A 33 4.812 -1.088 -0.683 1.00 63.22 H new ATOM 0 HD22 LEU A 33 4.308 0.053 -1.952 1.00 63.22 H new ATOM 0 HD23 LEU A 33 3.874 0.362 -0.254 1.00 63.22 H new ATOM 526 N ARG A 34 -0.933 1.545 -1.700 1.00 41.42 N ATOM 527 CA ARG A 34 -1.651 2.804 -1.886 1.00 72.12 C ATOM 528 C ARG A 34 -2.482 3.144 -0.653 1.00 65.45 C ATOM 529 O ARG A 34 -2.353 4.242 -0.117 1.00 32.11 O ATOM 530 CB ARG A 34 -2.518 2.691 -3.153 1.00 45.53 C ATOM 531 CG ARG A 34 -3.451 3.880 -3.426 1.00 3.24 C ATOM 532 CD ARG A 34 -2.704 5.168 -3.790 1.00 25.34 C ATOM 533 NE ARG A 34 -2.380 6.021 -2.626 1.00 63.32 N ATOM 534 CZ ARG A 34 -1.487 7.019 -2.651 1.00 34.12 C ATOM 535 NH1 ARG A 34 -0.709 7.197 -3.704 1.00 61.25 N ATOM 536 NH2 ARG A 34 -1.370 7.861 -1.635 1.00 14.42 N ATOM 0 H ARG A 34 -1.093 0.881 -2.457 1.00 41.42 H new ATOM 0 HA ARG A 34 -0.942 3.622 -2.015 1.00 72.12 H new ATOM 0 HB2 ARG A 34 -1.859 2.564 -4.012 1.00 45.53 H new ATOM 0 HB3 ARG A 34 -3.123 1.787 -3.079 1.00 45.53 H new ATOM 0 HG2 ARG A 34 -4.130 3.621 -4.238 1.00 3.24 H new ATOM 0 HG3 ARG A 34 -4.064 4.061 -2.543 1.00 3.24 H new ATOM 0 HD2 ARG A 34 -1.780 4.907 -4.306 1.00 25.34 H new ATOM 0 HD3 ARG A 34 -3.309 5.742 -4.492 1.00 25.34 H new ATOM 0 HE ARG A 34 -2.867 5.838 -1.749 1.00 63.32 H new ATOM 0 HH11 ARG A 34 -0.786 6.572 -4.506 1.00 61.25 H new ATOM 0 HH12 ARG A 34 -0.032 7.960 -3.715 1.00 61.25 H new ATOM 0 HH21 ARG A 34 -1.966 7.756 -0.814 1.00 14.42 H new ATOM 0 HH22 ARG A 34 -0.684 8.615 -1.674 1.00 14.42 H new ATOM 550 N VAL A 35 -3.347 2.238 -0.204 1.00 34.14 N ATOM 551 CA VAL A 35 -4.263 2.541 0.896 1.00 24.11 C ATOM 552 C VAL A 35 -3.509 2.732 2.220 1.00 62.22 C ATOM 553 O VAL A 35 -3.836 3.676 2.937 1.00 41.24 O ATOM 554 CB VAL A 35 -5.435 1.540 0.965 1.00 45.41 C ATOM 555 CG1 VAL A 35 -6.191 1.542 -0.378 1.00 5.41 C ATOM 556 CG2 VAL A 35 -5.025 0.109 1.334 1.00 33.03 C ATOM 0 H VAL A 35 -3.434 1.294 -0.581 1.00 34.14 H new ATOM 0 HA VAL A 35 -4.733 3.503 0.692 1.00 24.11 H new ATOM 0 HB VAL A 35 -6.079 1.880 1.776 1.00 45.41 H new ATOM 0 HG11 VAL A 35 -7.019 0.835 -0.330 1.00 5.41 H new ATOM 0 HG12 VAL A 35 -6.578 2.542 -0.576 1.00 5.41 H new ATOM 0 HG13 VAL A 35 -5.511 1.251 -1.179 1.00 5.41 H new ATOM 0 HG21 VAL A 35 -5.909 -0.528 1.360 1.00 33.03 H new ATOM 0 HG22 VAL A 35 -4.325 -0.272 0.590 1.00 33.03 H new ATOM 0 HG23 VAL A 35 -4.549 0.108 2.314 1.00 33.03 H new ATOM 566 N HIS A 36 -2.469 1.943 2.534 1.00 73.15 N ATOM 567 CA HIS A 36 -1.706 2.149 3.770 1.00 12.50 C ATOM 568 C HIS A 36 -0.747 3.356 3.662 1.00 30.10 C ATOM 569 O HIS A 36 -0.245 3.808 4.684 1.00 4.12 O ATOM 570 CB HIS A 36 -0.979 0.856 4.205 1.00 65.20 C ATOM 571 CG HIS A 36 -0.574 0.833 5.674 1.00 41.13 C ATOM 572 ND1 HIS A 36 0.280 1.721 6.291 1.00 4.44 N ATOM 573 CD2 HIS A 36 -1.033 -0.013 6.653 1.00 22.35 C ATOM 574 CE1 HIS A 36 0.302 1.460 7.603 1.00 31.03 C ATOM 575 NE2 HIS A 36 -0.453 0.383 7.869 1.00 52.23 N ATOM 0 H HIS A 36 -2.143 1.168 1.957 1.00 73.15 H new ATOM 0 HA HIS A 36 -2.419 2.393 4.558 1.00 12.50 H new ATOM 0 HB2 HIS A 36 -1.627 0.003 4.005 1.00 65.20 H new ATOM 0 HB3 HIS A 36 -0.087 0.730 3.591 1.00 65.20 H new ATOM 0 HD2 HIS A 36 -1.718 -0.836 6.513 1.00 22.35 H new ATOM 0 HE1 HIS A 36 0.847 2.032 8.339 1.00 31.03 H new ATOM 0 HE2 HIS A 36 -0.581 -0.062 8.778 1.00 52.23 H new ATOM 583 N SER A 37 -0.473 3.897 2.471 1.00 24.31 N ATOM 584 CA SER A 37 0.587 4.877 2.220 1.00 45.10 C ATOM 585 C SER A 37 0.710 6.040 3.233 1.00 52.34 C ATOM 586 O SER A 37 -0.292 6.470 3.808 1.00 32.04 O ATOM 587 CB SER A 37 0.451 5.351 0.771 1.00 53.53 C ATOM 588 OG SER A 37 -0.529 6.358 0.675 1.00 14.53 O ATOM 0 H SER A 37 -0.999 3.658 1.630 1.00 24.31 H new ATOM 0 HA SER A 37 1.538 4.368 2.377 1.00 45.10 H new ATOM 0 HB2 SER A 37 1.408 5.731 0.414 1.00 53.53 H new ATOM 0 HB3 SER A 37 0.183 4.511 0.130 1.00 53.53 H new ATOM 0 HG SER A 37 -1.384 5.958 0.410 1.00 14.53 H new ATOM 594 N PRO A 38 1.914 6.591 3.455 1.00 70.14 N ATOM 595 CA PRO A 38 2.125 7.684 4.386 1.00 10.32 C ATOM 596 C PRO A 38 1.596 8.960 3.733 1.00 54.24 C ATOM 597 O PRO A 38 2.214 9.497 2.809 1.00 5.32 O ATOM 598 CB PRO A 38 3.633 7.703 4.648 1.00 70.11 C ATOM 599 CG PRO A 38 4.237 7.163 3.353 1.00 50.21 C ATOM 600 CD PRO A 38 3.154 6.247 2.786 1.00 5.53 C ATOM 0 HA PRO A 38 1.602 7.584 5.337 1.00 10.32 H new ATOM 0 HB2 PRO A 38 3.988 8.710 4.865 1.00 70.11 H new ATOM 0 HB3 PRO A 38 3.898 7.081 5.503 1.00 70.11 H new ATOM 0 HG2 PRO A 38 4.479 7.969 2.660 1.00 50.21 H new ATOM 0 HG3 PRO A 38 5.161 6.617 3.542 1.00 50.21 H new ATOM 0 HD2 PRO A 38 3.061 6.381 1.708 1.00 5.53 H new ATOM 0 HD3 PRO A 38 3.406 5.200 2.956 1.00 5.53 H new ATOM 608 N SER A 39 0.413 9.412 4.150 1.00 14.32 N ATOM 609 CA SER A 39 -0.237 10.572 3.573 1.00 42.33 C ATOM 610 C SER A 39 0.622 11.801 3.853 1.00 42.14 C ATOM 611 O SER A 39 0.640 12.310 4.968 1.00 22.13 O ATOM 612 CB SER A 39 -1.661 10.757 4.112 1.00 30.44 C ATOM 613 OG SER A 39 -2.284 9.519 4.422 1.00 45.53 O ATOM 0 H SER A 39 -0.119 8.975 4.903 1.00 14.32 H new ATOM 0 HA SER A 39 -0.333 10.427 2.497 1.00 42.33 H new ATOM 0 HB2 SER A 39 -1.631 11.380 5.006 1.00 30.44 H new ATOM 0 HB3 SER A 39 -2.261 11.288 3.373 1.00 30.44 H new ATOM 0 HG SER A 39 -3.188 9.684 4.763 1.00 45.53 H new ATOM 619 N ALA A 40 1.340 12.286 2.849 1.00 4.21 N ATOM 620 CA ALA A 40 2.201 13.444 2.998 1.00 74.20 C ATOM 621 C ALA A 40 1.419 14.763 2.923 1.00 14.24 C ATOM 622 O ALA A 40 2.041 15.813 3.067 1.00 33.44 O ATOM 623 CB ALA A 40 3.304 13.373 1.942 1.00 21.43 C ATOM 0 H ALA A 40 1.340 11.886 1.911 1.00 4.21 H new ATOM 0 HA ALA A 40 2.650 13.427 3.991 1.00 74.20 H new ATOM 0 HB1 ALA A 40 3.960 14.238 2.042 1.00 21.43 H new ATOM 0 HB2 ALA A 40 3.883 12.460 2.082 1.00 21.43 H new ATOM 0 HB3 ALA A 40 2.857 13.370 0.948 1.00 21.43 H new ATOM 629 N GLU A 41 0.101 14.739 2.689 1.00 72.04 N ATOM 630 CA GLU A 41 -0.757 15.905 2.457 1.00 63.32 C ATOM 631 C GLU A 41 -1.443 16.396 3.739 1.00 32.21 C ATOM 632 O GLU A 41 -2.524 16.980 3.693 1.00 34.03 O ATOM 633 CB GLU A 41 -1.849 15.590 1.412 1.00 65.24 C ATOM 634 CG GLU A 41 -1.503 14.730 0.186 1.00 64.11 C ATOM 635 CD GLU A 41 -2.771 14.309 -0.580 1.00 54.22 C ATOM 636 OE1 GLU A 41 -3.843 14.106 0.036 1.00 33.13 O ATOM 637 OE2 GLU A 41 -2.744 14.193 -1.825 1.00 62.25 O ATOM 0 H GLU A 41 -0.420 13.863 2.655 1.00 72.04 H new ATOM 0 HA GLU A 41 -0.098 16.692 2.090 1.00 63.32 H new ATOM 0 HB2 GLU A 41 -2.668 15.097 1.935 1.00 65.24 H new ATOM 0 HB3 GLU A 41 -2.233 16.542 1.045 1.00 65.24 H new ATOM 0 HG2 GLU A 41 -0.843 15.289 -0.478 1.00 64.11 H new ATOM 0 HG3 GLU A 41 -0.957 13.842 0.505 1.00 64.11 H new ATOM 644 N VAL A 42 -0.893 16.057 4.897 1.00 52.33 N ATOM 645 CA VAL A 42 -1.567 16.254 6.178 1.00 30.11 C ATOM 646 C VAL A 42 -1.555 17.731 6.569 1.00 64.22 C ATOM 647 O VAL A 42 -2.606 18.359 6.518 1.00 24.20 O ATOM 648 CB VAL A 42 -0.972 15.308 7.227 1.00 4.41 C ATOM 649 CG1 VAL A 42 -1.456 15.637 8.641 1.00 10.32 C ATOM 650 CG2 VAL A 42 -1.369 13.874 6.881 1.00 70.03 C ATOM 0 H VAL A 42 0.033 15.637 4.977 1.00 52.33 H new ATOM 0 HA VAL A 42 -2.622 15.990 6.100 1.00 30.11 H new ATOM 0 HB VAL A 42 0.111 15.428 7.212 1.00 4.41 H new ATOM 0 HG11 VAL A 42 -1.008 14.941 9.350 1.00 10.32 H new ATOM 0 HG12 VAL A 42 -1.163 16.655 8.898 1.00 10.32 H new ATOM 0 HG13 VAL A 42 -2.542 15.550 8.683 1.00 10.32 H new ATOM 0 HG21 VAL A 42 -0.951 13.192 7.621 1.00 70.03 H new ATOM 0 HG22 VAL A 42 -2.456 13.787 6.881 1.00 70.03 H new ATOM 0 HG23 VAL A 42 -0.984 13.618 5.894 1.00 70.03 H new ATOM 660 N GLN A 43 -0.386 18.283 6.911 1.00 43.31 N ATOM 661 CA GLN A 43 -0.193 19.692 7.256 1.00 63.04 C ATOM 662 C GLN A 43 -0.983 20.015 8.527 1.00 31.12 C ATOM 663 O GLN A 43 -1.849 20.889 8.545 1.00 11.14 O ATOM 664 CB GLN A 43 -0.554 20.606 6.069 1.00 54.33 C ATOM 665 CG GLN A 43 0.016 20.141 4.714 1.00 34.40 C ATOM 666 CD GLN A 43 -0.944 20.450 3.575 1.00 25.30 C ATOM 667 OE1 GLN A 43 -0.657 21.260 2.698 1.00 2.30 O ATOM 668 NE2 GLN A 43 -2.107 19.824 3.550 1.00 62.05 N ATOM 0 H GLN A 43 0.478 17.743 6.956 1.00 43.31 H new ATOM 0 HA GLN A 43 0.860 19.881 7.466 1.00 63.04 H new ATOM 0 HB2 GLN A 43 -1.639 20.669 5.991 1.00 54.33 H new ATOM 0 HB3 GLN A 43 -0.190 21.612 6.277 1.00 54.33 H new ATOM 0 HG2 GLN A 43 0.971 20.633 4.531 1.00 34.40 H new ATOM 0 HG3 GLN A 43 0.211 19.069 4.748 1.00 34.40 H new ATOM 0 HE21 GLN A 43 -2.340 19.152 4.281 1.00 62.05 H new ATOM 0 HE22 GLN A 43 -2.772 20.013 2.800 1.00 62.05 H new ATOM 677 N GLY A 44 -0.711 19.261 9.588 1.00 5.31 N ATOM 678 CA GLY A 44 -1.402 19.362 10.857 1.00 2.33 C ATOM 679 C GLY A 44 -1.493 17.969 11.428 1.00 3.43 C ATOM 680 O GLY A 44 -0.488 17.475 11.942 1.00 42.22 O ATOM 0 H GLY A 44 0.016 18.546 9.583 1.00 5.31 H new ATOM 0 HA2 GLY A 44 -0.863 20.022 11.537 1.00 2.33 H new ATOM 0 HA3 GLY A 44 -2.396 19.788 10.721 1.00 2.33 H new ATOM 684 N HIS A 45 -2.657 17.324 11.326 1.00 74.42 N ATOM 685 CA HIS A 45 -2.879 16.098 12.085 1.00 71.03 C ATOM 686 C HIS A 45 -3.797 15.088 11.420 1.00 1.11 C ATOM 687 O HIS A 45 -3.558 13.880 11.502 1.00 2.23 O ATOM 688 CB HIS A 45 -3.409 16.481 13.473 1.00 24.22 C ATOM 689 CG HIS A 45 -2.821 15.652 14.571 1.00 34.43 C ATOM 690 ND1 HIS A 45 -3.527 15.005 15.554 1.00 14.13 N ATOM 691 CD2 HIS A 45 -1.487 15.471 14.804 1.00 21.44 C ATOM 692 CE1 HIS A 45 -2.634 14.433 16.374 1.00 42.55 C ATOM 693 NE2 HIS A 45 -1.379 14.668 15.947 1.00 55.42 N ATOM 0 H HIS A 45 -3.439 17.621 10.742 1.00 74.42 H new ATOM 0 HA HIS A 45 -1.919 15.587 12.150 1.00 71.03 H new ATOM 0 HB2 HIS A 45 -3.191 17.532 13.662 1.00 24.22 H new ATOM 0 HB3 HIS A 45 -4.494 16.373 13.484 1.00 24.22 H new ATOM 0 HD2 HIS A 45 -0.672 15.870 14.219 1.00 21.44 H new ATOM 0 HE1 HIS A 45 -2.886 13.862 17.256 1.00 42.55 H new ATOM 0 HE2 HIS A 45 -0.517 14.328 16.373 1.00 55.42 H new ATOM 701 N GLY A 46 -4.836 15.568 10.756 1.00 74.23 N ATOM 702 CA GLY A 46 -5.824 14.738 10.089 1.00 1.14 C ATOM 703 C GLY A 46 -6.547 13.775 11.029 1.00 1.14 C ATOM 704 O GLY A 46 -6.491 13.892 12.258 1.00 61.45 O ATOM 0 H GLY A 46 -5.019 16.567 10.664 1.00 74.23 H new ATOM 0 HA2 GLY A 46 -6.559 15.381 9.605 1.00 1.14 H new ATOM 0 HA3 GLY A 46 -5.334 14.165 9.302 1.00 1.14 H new ATOM 708 N ASN A 47 -7.291 12.850 10.431 1.00 2.33 N ATOM 709 CA ASN A 47 -8.188 11.886 11.046 1.00 45.34 C ATOM 710 C ASN A 47 -8.168 10.646 10.132 1.00 44.33 C ATOM 711 O ASN A 47 -7.800 10.790 8.959 1.00 2.44 O ATOM 712 CB ASN A 47 -9.614 12.472 11.120 1.00 13.43 C ATOM 713 CG ASN A 47 -9.682 13.970 11.416 1.00 64.23 C ATOM 714 OD1 ASN A 47 -9.784 14.397 12.565 1.00 11.50 O ATOM 715 ND2 ASN A 47 -9.606 14.801 10.391 1.00 3.23 N ATOM 0 H ASN A 47 -7.278 12.750 9.416 1.00 2.33 H new ATOM 0 HA ASN A 47 -7.880 11.636 12.061 1.00 45.34 H new ATOM 0 HB2 ASN A 47 -10.119 12.281 10.173 1.00 13.43 H new ATOM 0 HB3 ASN A 47 -10.170 11.939 11.891 1.00 13.43 H new ATOM 0 HD21 ASN A 47 -9.632 15.808 10.548 1.00 3.23 H new ATOM 0 HD22 ASN A 47 -9.522 14.435 9.443 1.00 3.23 H new ATOM 722 N PRO A 48 -8.581 9.450 10.586 1.00 13.33 N ATOM 723 CA PRO A 48 -8.570 8.252 9.754 1.00 42.55 C ATOM 724 C PRO A 48 -9.608 8.370 8.631 1.00 13.53 C ATOM 725 O PRO A 48 -10.778 8.661 8.894 1.00 51.45 O ATOM 726 CB PRO A 48 -8.861 7.086 10.706 1.00 53.25 C ATOM 727 CG PRO A 48 -9.650 7.729 11.844 1.00 31.41 C ATOM 728 CD PRO A 48 -9.081 9.145 11.917 1.00 61.11 C ATOM 0 HA PRO A 48 -7.614 8.101 9.252 1.00 42.55 H new ATOM 0 HB2 PRO A 48 -9.437 6.302 10.214 1.00 53.25 H new ATOM 0 HB3 PRO A 48 -7.941 6.626 11.068 1.00 53.25 H new ATOM 0 HG2 PRO A 48 -10.720 7.737 11.636 1.00 31.41 H new ATOM 0 HG3 PRO A 48 -9.511 7.192 12.782 1.00 31.41 H new ATOM 0 HD2 PRO A 48 -9.849 9.858 12.217 1.00 61.11 H new ATOM 0 HD3 PRO A 48 -8.282 9.206 12.656 1.00 61.11 H new ATOM 736 N VAL A 49 -9.199 8.107 7.388 1.00 33.02 N ATOM 737 CA VAL A 49 -10.070 8.095 6.214 1.00 70.23 C ATOM 738 C VAL A 49 -9.849 6.791 5.470 1.00 64.11 C ATOM 739 O VAL A 49 -8.721 6.456 5.098 1.00 31.12 O ATOM 740 CB VAL A 49 -9.811 9.278 5.260 1.00 1.41 C ATOM 741 CG1 VAL A 49 -10.884 9.343 4.164 1.00 14.52 C ATOM 742 CG2 VAL A 49 -9.757 10.619 5.997 1.00 5.32 C ATOM 0 H VAL A 49 -8.227 7.891 7.166 1.00 33.02 H new ATOM 0 HA VAL A 49 -11.099 8.190 6.560 1.00 70.23 H new ATOM 0 HB VAL A 49 -8.836 9.101 4.807 1.00 1.41 H new ATOM 0 HG11 VAL A 49 -10.679 10.186 3.504 1.00 14.52 H new ATOM 0 HG12 VAL A 49 -10.871 8.418 3.587 1.00 14.52 H new ATOM 0 HG13 VAL A 49 -11.865 9.471 4.622 1.00 14.52 H new ATOM 0 HG21 VAL A 49 -9.572 11.420 5.281 1.00 5.32 H new ATOM 0 HG22 VAL A 49 -10.707 10.795 6.502 1.00 5.32 H new ATOM 0 HG23 VAL A 49 -8.953 10.598 6.733 1.00 5.32 H new ATOM 752 N LEU A 50 -10.941 6.093 5.196 1.00 51.43 N ATOM 753 CA LEU A 50 -10.930 4.883 4.400 1.00 11.12 C ATOM 754 C LEU A 50 -10.748 5.245 2.934 1.00 53.45 C ATOM 755 O LEU A 50 -11.630 5.856 2.327 1.00 22.04 O ATOM 756 CB LEU A 50 -12.214 4.091 4.653 1.00 22.44 C ATOM 757 CG LEU A 50 -12.249 2.743 3.926 1.00 30.42 C ATOM 758 CD1 LEU A 50 -11.056 1.867 4.342 1.00 73.01 C ATOM 759 CD2 LEU A 50 -13.594 2.095 4.264 1.00 13.52 C ATOM 0 H LEU A 50 -11.869 6.357 5.526 1.00 51.43 H new ATOM 0 HA LEU A 50 -10.094 4.244 4.686 1.00 11.12 H new ATOM 0 HB2 LEU A 50 -12.322 3.921 5.724 1.00 22.44 H new ATOM 0 HB3 LEU A 50 -13.069 4.688 4.337 1.00 22.44 H new ATOM 0 HG LEU A 50 -12.160 2.869 2.847 1.00 30.42 H new ATOM 0 HD11 LEU A 50 -11.102 0.915 3.813 1.00 73.01 H new ATOM 0 HD12 LEU A 50 -10.126 2.377 4.092 1.00 73.01 H new ATOM 0 HD13 LEU A 50 -11.094 1.687 5.416 1.00 73.01 H new ATOM 0 HD21 LEU A 50 -13.667 1.128 3.767 1.00 13.52 H new ATOM 0 HD22 LEU A 50 -13.670 1.956 5.342 1.00 13.52 H new ATOM 0 HD23 LEU A 50 -14.404 2.740 3.924 1.00 13.52 H new ATOM 771 N GLN A 51 -9.589 4.904 2.373 1.00 73.22 N ATOM 772 CA GLN A 51 -9.257 5.140 0.972 1.00 4.42 C ATOM 773 C GLN A 51 -9.805 3.962 0.177 1.00 32.03 C ATOM 774 O GLN A 51 -9.200 2.890 0.194 1.00 53.44 O ATOM 775 CB GLN A 51 -7.726 5.239 0.789 1.00 51.14 C ATOM 776 CG GLN A 51 -7.033 6.284 1.677 1.00 10.23 C ATOM 777 CD GLN A 51 -6.483 7.497 0.935 1.00 10.22 C ATOM 778 OE1 GLN A 51 -5.889 7.392 -0.137 1.00 12.13 O ATOM 779 NE2 GLN A 51 -6.601 8.666 1.537 1.00 74.05 N ATOM 0 H GLN A 51 -8.840 4.446 2.892 1.00 73.22 H new ATOM 0 HA GLN A 51 -9.692 6.078 0.627 1.00 4.42 H new ATOM 0 HB2 GLN A 51 -7.287 4.262 0.993 1.00 51.14 H new ATOM 0 HB3 GLN A 51 -7.514 5.473 -0.254 1.00 51.14 H new ATOM 0 HG2 GLN A 51 -7.743 6.628 2.429 1.00 10.23 H new ATOM 0 HG3 GLN A 51 -6.214 5.801 2.210 1.00 10.23 H new ATOM 0 HE21 GLN A 51 -7.097 8.734 2.426 1.00 74.05 H new ATOM 0 HE22 GLN A 51 -6.196 9.501 1.113 1.00 74.05 H new ATOM 788 N TYR A 52 -10.962 4.096 -0.461 1.00 65.01 N ATOM 789 CA TYR A 52 -11.579 2.999 -1.202 1.00 62.15 C ATOM 790 C TYR A 52 -11.483 3.258 -2.697 1.00 74.33 C ATOM 791 O TYR A 52 -10.994 4.302 -3.131 1.00 74.01 O ATOM 792 CB TYR A 52 -13.026 2.794 -0.753 1.00 13.40 C ATOM 793 CG TYR A 52 -13.918 3.991 -1.026 1.00 22.40 C ATOM 794 CD1 TYR A 52 -14.583 4.100 -2.260 1.00 70.42 C ATOM 795 CD2 TYR A 52 -14.017 5.031 -0.082 1.00 33.01 C ATOM 796 CE1 TYR A 52 -15.340 5.244 -2.557 1.00 65.04 C ATOM 797 CE2 TYR A 52 -14.806 6.164 -0.357 1.00 53.51 C ATOM 798 CZ TYR A 52 -15.468 6.276 -1.603 1.00 25.31 C ATOM 799 OH TYR A 52 -16.271 7.333 -1.888 1.00 53.53 O ATOM 0 H TYR A 52 -11.498 4.964 -0.480 1.00 65.01 H new ATOM 0 HA TYR A 52 -11.039 2.077 -0.988 1.00 62.15 H new ATOM 0 HB2 TYR A 52 -13.436 1.921 -1.261 1.00 13.40 H new ATOM 0 HB3 TYR A 52 -13.040 2.576 0.315 1.00 13.40 H new ATOM 0 HD1 TYR A 52 -14.511 3.300 -2.982 1.00 70.42 H new ATOM 0 HD2 TYR A 52 -13.486 4.959 0.856 1.00 33.01 H new ATOM 0 HE1 TYR A 52 -15.825 5.335 -3.517 1.00 65.04 H new ATOM 0 HE2 TYR A 52 -14.906 6.946 0.381 1.00 53.51 H new ATOM 0 HH TYR A 52 -16.261 7.963 -1.137 1.00 53.53 H new ATOM 809 N GLY A 53 -11.953 2.293 -3.484 1.00 54.13 N ATOM 810 CA GLY A 53 -11.869 2.358 -4.936 1.00 13.21 C ATOM 811 C GLY A 53 -10.445 2.096 -5.445 1.00 72.33 C ATOM 812 O GLY A 53 -9.965 2.843 -6.301 1.00 24.24 O ATOM 0 H GLY A 53 -12.401 1.447 -3.132 1.00 54.13 H new ATOM 0 HA2 GLY A 53 -12.549 1.626 -5.371 1.00 13.21 H new ATOM 0 HA3 GLY A 53 -12.199 3.340 -5.274 1.00 13.21 H new ATOM 816 N LYS A 54 -9.721 1.118 -4.884 1.00 1.33 N ATOM 817 CA LYS A 54 -8.332 0.807 -5.245 1.00 11.30 C ATOM 818 C LYS A 54 -8.171 -0.629 -5.779 1.00 74.12 C ATOM 819 O LYS A 54 -7.041 -1.062 -5.977 1.00 25.42 O ATOM 820 CB LYS A 54 -7.376 1.150 -4.074 1.00 54.24 C ATOM 821 CG LYS A 54 -6.948 2.630 -3.971 1.00 24.41 C ATOM 822 CD LYS A 54 -8.019 3.574 -3.418 1.00 32.24 C ATOM 823 CE LYS A 54 -7.561 5.025 -3.221 1.00 50.35 C ATOM 824 NZ LYS A 54 -7.347 5.738 -4.499 1.00 41.25 N ATOM 0 H LYS A 54 -10.091 0.510 -4.153 1.00 1.33 H new ATOM 0 HA LYS A 54 -8.045 1.445 -6.081 1.00 11.30 H new ATOM 0 HB2 LYS A 54 -7.859 0.865 -3.139 1.00 54.24 H new ATOM 0 HB3 LYS A 54 -6.480 0.537 -4.170 1.00 54.24 H new ATOM 0 HG2 LYS A 54 -6.065 2.694 -3.336 1.00 24.41 H new ATOM 0 HG3 LYS A 54 -6.654 2.978 -4.961 1.00 24.41 H new ATOM 0 HD2 LYS A 54 -8.874 3.567 -4.095 1.00 32.24 H new ATOM 0 HD3 LYS A 54 -8.367 3.185 -2.461 1.00 32.24 H new ATOM 0 HE2 LYS A 54 -8.307 5.560 -2.633 1.00 50.35 H new ATOM 0 HE3 LYS A 54 -6.635 5.034 -2.646 1.00 50.35 H new ATOM 0 HZ1 LYS A 54 -6.896 6.656 -4.313 1.00 41.25 H new ATOM 0 HZ2 LYS A 54 -6.732 5.169 -5.115 1.00 41.25 H new ATOM 0 HZ3 LYS A 54 -8.262 5.891 -4.969 1.00 41.25 H new ATOM 838 N LEU A 55 -9.242 -1.369 -6.090 1.00 33.10 N ATOM 839 CA LEU A 55 -9.159 -2.732 -6.642 1.00 32.23 C ATOM 840 C LEU A 55 -8.236 -2.800 -7.867 1.00 14.22 C ATOM 841 O LEU A 55 -7.415 -3.710 -8.020 1.00 21.33 O ATOM 842 CB LEU A 55 -10.562 -3.244 -7.060 1.00 32.00 C ATOM 843 CG LEU A 55 -10.919 -4.632 -6.510 1.00 73.43 C ATOM 844 CD1 LEU A 55 -12.332 -5.031 -6.950 1.00 13.50 C ATOM 845 CD2 LEU A 55 -9.918 -5.715 -6.896 1.00 71.02 C ATOM 0 H LEU A 55 -10.199 -1.039 -5.966 1.00 33.10 H new ATOM 0 HA LEU A 55 -8.748 -3.361 -5.852 1.00 32.23 H new ATOM 0 HB2 LEU A 55 -11.312 -2.529 -6.723 1.00 32.00 H new ATOM 0 HB3 LEU A 55 -10.616 -3.273 -8.148 1.00 32.00 H new ATOM 0 HG LEU A 55 -10.880 -4.552 -5.424 1.00 73.43 H new ATOM 0 HD11 LEU A 55 -12.572 -6.017 -6.553 1.00 13.50 H new ATOM 0 HD12 LEU A 55 -13.050 -4.303 -6.572 1.00 13.50 H new ATOM 0 HD13 LEU A 55 -12.380 -5.057 -8.039 1.00 13.50 H new ATOM 0 HD21 LEU A 55 -10.233 -6.669 -6.473 1.00 71.02 H new ATOM 0 HD22 LEU A 55 -9.871 -5.797 -7.982 1.00 71.02 H new ATOM 0 HD23 LEU A 55 -8.933 -5.455 -6.509 1.00 71.02 H new ATOM 857 N ASN A 56 -8.401 -1.833 -8.768 1.00 62.21 N ATOM 858 CA ASN A 56 -7.864 -1.860 -10.122 1.00 24.40 C ATOM 859 C ASN A 56 -6.431 -1.336 -10.174 1.00 65.04 C ATOM 860 O ASN A 56 -5.782 -1.486 -11.211 1.00 22.41 O ATOM 861 CB ASN A 56 -8.772 -1.060 -11.072 1.00 52.52 C ATOM 862 CG ASN A 56 -9.736 -1.963 -11.826 1.00 13.13 C ATOM 863 OD1 ASN A 56 -9.379 -2.477 -12.883 1.00 70.14 O ATOM 864 ND2 ASN A 56 -10.945 -2.200 -11.343 1.00 72.24 N ATOM 0 H ASN A 56 -8.929 -0.984 -8.567 1.00 62.21 H new ATOM 0 HA ASN A 56 -7.840 -2.899 -10.450 1.00 24.40 H new ATOM 0 HB2 ASN A 56 -9.336 -0.323 -10.501 1.00 52.52 H new ATOM 0 HB3 ASN A 56 -8.157 -0.509 -11.784 1.00 52.52 H new ATOM 0 HD21 ASN A 56 -11.585 -2.812 -11.849 1.00 72.24 H new ATOM 0 HD22 ASN A 56 -11.237 -1.771 -10.465 1.00 72.24 H new ATOM 871 N VAL A 57 -5.915 -0.783 -9.071 1.00 44.15 N ATOM 872 CA VAL A 57 -4.629 -0.097 -8.995 1.00 32.32 C ATOM 873 C VAL A 57 -3.528 -0.970 -9.571 1.00 23.21 C ATOM 874 O VAL A 57 -3.425 -2.163 -9.237 1.00 4.14 O ATOM 875 CB VAL A 57 -4.332 0.264 -7.529 1.00 65.11 C ATOM 876 CG1 VAL A 57 -2.947 0.904 -7.315 1.00 32.13 C ATOM 877 CG2 VAL A 57 -5.302 1.281 -6.975 1.00 64.23 C ATOM 0 H VAL A 57 -6.403 -0.804 -8.176 1.00 44.15 H new ATOM 0 HA VAL A 57 -4.671 0.819 -9.584 1.00 32.32 H new ATOM 0 HB VAL A 57 -4.404 -0.700 -7.025 1.00 65.11 H new ATOM 0 HG11 VAL A 57 -2.810 1.130 -6.258 1.00 32.13 H new ATOM 0 HG12 VAL A 57 -2.172 0.211 -7.641 1.00 32.13 H new ATOM 0 HG13 VAL A 57 -2.878 1.824 -7.895 1.00 32.13 H new ATOM 0 HG21 VAL A 57 -5.047 1.500 -5.938 1.00 64.23 H new ATOM 0 HG22 VAL A 57 -5.245 2.197 -7.564 1.00 64.23 H new ATOM 0 HG23 VAL A 57 -6.315 0.881 -7.023 1.00 64.23 H new ATOM 887 N GLY A 58 -2.659 -0.354 -10.369 1.00 72.14 N ATOM 888 CA GLY A 58 -1.371 -0.903 -10.698 1.00 43.12 C ATOM 889 C GLY A 58 -0.246 0.033 -10.275 1.00 52.51 C ATOM 890 O GLY A 58 -0.398 1.253 -10.191 1.00 30.05 O ATOM 0 H GLY A 58 -2.843 0.550 -10.804 1.00 72.14 H new ATOM 0 HA2 GLY A 58 -1.248 -1.868 -10.206 1.00 43.12 H new ATOM 0 HA3 GLY A 58 -1.313 -1.083 -11.772 1.00 43.12 H new ATOM 894 N LEU A 59 0.910 -0.569 -10.009 1.00 72.24 N ATOM 895 CA LEU A 59 2.162 0.120 -9.758 1.00 34.41 C ATOM 896 C LEU A 59 2.753 0.501 -11.110 1.00 33.05 C ATOM 897 O LEU A 59 2.620 -0.258 -12.072 1.00 51.24 O ATOM 898 CB LEU A 59 3.108 -0.844 -9.015 1.00 2.11 C ATOM 899 CG LEU A 59 3.803 -0.280 -7.770 1.00 25.03 C ATOM 900 CD1 LEU A 59 4.788 0.811 -8.166 1.00 13.13 C ATOM 901 CD2 LEU A 59 2.814 0.256 -6.737 1.00 5.53 C ATOM 0 H LEU A 59 0.999 -1.584 -9.962 1.00 72.24 H new ATOM 0 HA LEU A 59 2.016 1.013 -9.151 1.00 34.41 H new ATOM 0 HB2 LEU A 59 2.538 -1.725 -8.720 1.00 2.11 H new ATOM 0 HB3 LEU A 59 3.874 -1.179 -9.714 1.00 2.11 H new ATOM 0 HG LEU A 59 4.339 -1.106 -7.303 1.00 25.03 H new ATOM 0 HD11 LEU A 59 5.275 1.203 -7.273 1.00 13.13 H new ATOM 0 HD12 LEU A 59 5.540 0.396 -8.837 1.00 13.13 H new ATOM 0 HD13 LEU A 59 4.255 1.616 -8.672 1.00 13.13 H new ATOM 0 HD21 LEU A 59 3.360 0.643 -5.877 1.00 5.53 H new ATOM 0 HD22 LEU A 59 2.222 1.057 -7.181 1.00 5.53 H new ATOM 0 HD23 LEU A 59 2.153 -0.548 -6.415 1.00 5.53 H new ATOM 913 N VAL A 60 3.441 1.634 -11.190 1.00 53.42 N ATOM 914 CA VAL A 60 3.946 2.184 -12.447 1.00 53.21 C ATOM 915 C VAL A 60 5.428 2.526 -12.408 1.00 24.25 C ATOM 916 O VAL A 60 6.077 2.510 -13.454 1.00 72.11 O ATOM 917 CB VAL A 60 3.115 3.405 -12.868 1.00 33.15 C ATOM 918 CG1 VAL A 60 2.004 2.949 -13.808 1.00 5.32 C ATOM 919 CG2 VAL A 60 2.457 4.177 -11.727 1.00 3.15 C ATOM 0 H VAL A 60 3.668 2.205 -10.376 1.00 53.42 H new ATOM 0 HA VAL A 60 3.839 1.397 -13.194 1.00 53.21 H new ATOM 0 HB VAL A 60 3.828 4.084 -13.335 1.00 33.15 H new ATOM 0 HG11 VAL A 60 1.409 3.810 -14.112 1.00 5.32 H new ATOM 0 HG12 VAL A 60 2.442 2.481 -14.690 1.00 5.32 H new ATOM 0 HG13 VAL A 60 1.366 2.229 -13.295 1.00 5.32 H new ATOM 0 HG21 VAL A 60 1.895 5.018 -12.133 1.00 3.15 H new ATOM 0 HG22 VAL A 60 1.780 3.517 -11.184 1.00 3.15 H new ATOM 0 HG23 VAL A 60 3.225 4.547 -11.048 1.00 3.15 H new ATOM 929 N GLY A 61 5.963 2.781 -11.222 1.00 65.40 N ATOM 930 CA GLY A 61 7.371 3.113 -11.037 1.00 31.31 C ATOM 931 C GLY A 61 7.800 2.946 -9.587 1.00 63.20 C ATOM 932 O GLY A 61 6.972 3.000 -8.676 1.00 12.54 O ATOM 0 H GLY A 61 5.429 2.763 -10.353 1.00 65.40 H new ATOM 0 HA2 GLY A 61 7.983 2.474 -11.674 1.00 31.31 H new ATOM 0 HA3 GLY A 61 7.548 4.141 -11.353 1.00 31.31 H new ATOM 936 N VAL A 62 9.098 2.718 -9.379 1.00 65.20 N ATOM 937 CA VAL A 62 9.695 2.474 -8.074 1.00 30.35 C ATOM 938 C VAL A 62 11.176 2.812 -8.174 1.00 23.32 C ATOM 939 O VAL A 62 11.920 2.212 -8.958 1.00 22.45 O ATOM 940 CB VAL A 62 9.381 1.029 -7.630 1.00 3.24 C ATOM 941 CG1 VAL A 62 9.832 -0.074 -8.605 1.00 52.22 C ATOM 942 CG2 VAL A 62 9.833 0.631 -6.226 1.00 22.33 C ATOM 0 H VAL A 62 9.778 2.698 -10.139 1.00 65.20 H new ATOM 0 HA VAL A 62 9.278 3.108 -7.291 1.00 30.35 H new ATOM 0 HB VAL A 62 8.292 1.085 -7.628 1.00 3.24 H new ATOM 0 HG11 VAL A 62 9.564 -1.050 -8.199 1.00 52.22 H new ATOM 0 HG12 VAL A 62 9.339 0.067 -9.567 1.00 52.22 H new ATOM 0 HG13 VAL A 62 10.912 -0.021 -8.740 1.00 52.22 H new ATOM 0 HG21 VAL A 62 9.555 -0.405 -6.034 1.00 22.33 H new ATOM 0 HG22 VAL A 62 10.915 0.736 -6.149 1.00 22.33 H new ATOM 0 HG23 VAL A 62 9.352 1.278 -5.492 1.00 22.33 H new ATOM 952 N GLU A 63 11.600 3.804 -7.405 1.00 43.10 N ATOM 953 CA GLU A 63 12.995 4.251 -7.360 1.00 30.33 C ATOM 954 C GLU A 63 13.439 4.707 -5.958 1.00 31.13 C ATOM 955 O GLU A 63 12.615 5.130 -5.149 1.00 51.33 O ATOM 956 CB GLU A 63 13.262 5.289 -8.460 1.00 23.45 C ATOM 957 CG GLU A 63 12.499 6.606 -8.354 1.00 52.32 C ATOM 958 CD GLU A 63 13.331 7.709 -7.692 1.00 41.34 C ATOM 959 OE1 GLU A 63 14.035 8.410 -8.459 1.00 23.23 O ATOM 960 OE2 GLU A 63 13.320 7.837 -6.453 1.00 5.12 O ATOM 0 H GLU A 63 10.983 4.330 -6.786 1.00 43.10 H new ATOM 0 HA GLU A 63 13.628 3.389 -7.571 1.00 30.33 H new ATOM 0 HB2 GLU A 63 14.329 5.513 -8.466 1.00 23.45 H new ATOM 0 HB3 GLU A 63 13.026 4.835 -9.422 1.00 23.45 H new ATOM 0 HG2 GLU A 63 12.198 6.930 -9.350 1.00 52.32 H new ATOM 0 HG3 GLU A 63 11.586 6.449 -7.780 1.00 52.32 H new ATOM 967 N PRO A 64 14.727 4.548 -5.609 1.00 74.03 N ATOM 968 CA PRO A 64 15.214 4.787 -4.261 1.00 73.30 C ATOM 969 C PRO A 64 15.433 6.284 -4.027 1.00 72.22 C ATOM 970 O PRO A 64 16.411 6.859 -4.510 1.00 3.24 O ATOM 971 CB PRO A 64 16.506 3.980 -4.161 1.00 62.04 C ATOM 972 CG PRO A 64 17.056 4.000 -5.589 1.00 14.12 C ATOM 973 CD PRO A 64 15.799 4.048 -6.459 1.00 23.43 C ATOM 0 HA PRO A 64 14.505 4.479 -3.493 1.00 73.30 H new ATOM 0 HB2 PRO A 64 17.205 4.429 -3.456 1.00 62.04 H new ATOM 0 HB3 PRO A 64 16.317 2.963 -3.818 1.00 62.04 H new ATOM 0 HG2 PRO A 64 17.695 4.866 -5.760 1.00 14.12 H new ATOM 0 HG3 PRO A 64 17.656 3.115 -5.800 1.00 14.12 H new ATOM 0 HD2 PRO A 64 15.948 4.700 -7.320 1.00 23.43 H new ATOM 0 HD3 PRO A 64 15.557 3.058 -6.847 1.00 23.43 H new ATOM 981 N ALA A 65 14.556 6.911 -3.245 1.00 33.03 N ATOM 982 CA ALA A 65 14.685 8.304 -2.856 1.00 14.45 C ATOM 983 C ALA A 65 15.829 8.459 -1.844 1.00 32.05 C ATOM 984 O ALA A 65 15.639 8.438 -0.620 1.00 31.42 O ATOM 985 CB ALA A 65 13.347 8.844 -2.345 1.00 3.25 C ATOM 0 H ALA A 65 13.728 6.456 -2.862 1.00 33.03 H new ATOM 0 HA ALA A 65 14.946 8.909 -3.724 1.00 14.45 H new ATOM 0 HB1 ALA A 65 13.462 9.889 -2.058 1.00 3.25 H new ATOM 0 HB2 ALA A 65 12.598 8.765 -3.133 1.00 3.25 H new ATOM 0 HB3 ALA A 65 13.027 8.263 -1.480 1.00 3.25 H new ATOM 991 N GLY A 66 17.042 8.598 -2.366 1.00 34.44 N ATOM 992 CA GLY A 66 18.276 8.762 -1.631 1.00 61.41 C ATOM 993 C GLY A 66 18.666 7.426 -1.036 1.00 50.40 C ATOM 994 O GLY A 66 18.749 6.423 -1.752 1.00 22.15 O ATOM 0 H GLY A 66 17.192 8.598 -3.375 1.00 34.44 H new ATOM 0 HA2 GLY A 66 19.063 9.126 -2.291 1.00 61.41 H new ATOM 0 HA3 GLY A 66 18.151 9.505 -0.843 1.00 61.41 H new ATOM 998 N GLN A 67 18.881 7.418 0.279 1.00 50.14 N ATOM 999 CA GLN A 67 19.437 6.285 1.012 1.00 51.10 C ATOM 1000 C GLN A 67 18.482 5.807 2.111 1.00 54.24 C ATOM 1001 O GLN A 67 18.829 4.905 2.873 1.00 13.42 O ATOM 1002 CB GLN A 67 20.818 6.668 1.582 1.00 31.03 C ATOM 1003 CG GLN A 67 21.731 7.304 0.520 1.00 63.31 C ATOM 1004 CD GLN A 67 23.157 7.520 1.013 1.00 25.22 C ATOM 1005 OE1 GLN A 67 23.853 6.580 1.376 1.00 10.55 O ATOM 1006 NE2 GLN A 67 23.644 8.751 1.020 1.00 74.32 N ATOM 0 H GLN A 67 18.668 8.217 0.876 1.00 50.14 H new ATOM 0 HA GLN A 67 19.565 5.448 0.326 1.00 51.10 H new ATOM 0 HB2 GLN A 67 20.687 7.365 2.410 1.00 31.03 H new ATOM 0 HB3 GLN A 67 21.301 5.779 1.988 1.00 31.03 H new ATOM 0 HG2 GLN A 67 21.751 6.666 -0.364 1.00 63.31 H new ATOM 0 HG3 GLN A 67 21.310 8.261 0.213 1.00 63.31 H new ATOM 0 HE21 GLN A 67 23.062 9.532 0.717 1.00 74.32 H new ATOM 0 HE22 GLN A 67 24.602 8.919 1.328 1.00 74.32 H new ATOM 1015 N TYR A 68 17.294 6.407 2.234 1.00 25.01 N ATOM 1016 CA TYR A 68 16.374 6.139 3.345 1.00 21.41 C ATOM 1017 C TYR A 68 14.923 5.977 2.910 1.00 11.34 C ATOM 1018 O TYR A 68 14.164 5.332 3.636 1.00 13.31 O ATOM 1019 CB TYR A 68 16.508 7.195 4.454 1.00 13.15 C ATOM 1020 CG TYR A 68 16.796 8.599 3.973 1.00 31.32 C ATOM 1021 CD1 TYR A 68 18.133 8.984 3.769 1.00 50.12 C ATOM 1022 CD2 TYR A 68 15.748 9.493 3.687 1.00 1.12 C ATOM 1023 CE1 TYR A 68 18.433 10.256 3.262 1.00 24.25 C ATOM 1024 CE2 TYR A 68 16.044 10.776 3.197 1.00 45.52 C ATOM 1025 CZ TYR A 68 17.386 11.163 2.983 1.00 21.14 C ATOM 1026 OH TYR A 68 17.665 12.391 2.478 1.00 21.02 O ATOM 0 H TYR A 68 16.942 7.093 1.566 1.00 25.01 H new ATOM 0 HA TYR A 68 16.675 5.174 3.751 1.00 21.41 H new ATOM 0 HB2 TYR A 68 15.585 7.209 5.034 1.00 13.15 H new ATOM 0 HB3 TYR A 68 17.306 6.889 5.131 1.00 13.15 H new ATOM 0 HD1 TYR A 68 18.932 8.297 4.004 1.00 50.12 H new ATOM 0 HD2 TYR A 68 14.722 9.195 3.843 1.00 1.12 H new ATOM 0 HE1 TYR A 68 19.460 10.541 3.085 1.00 24.25 H new ATOM 0 HE2 TYR A 68 15.243 11.469 2.983 1.00 45.52 H new ATOM 0 HH TYR A 68 16.830 12.887 2.344 1.00 21.02 H new ATOM 1036 N ALA A 69 14.534 6.530 1.761 1.00 33.14 N ATOM 1037 CA ALA A 69 13.161 6.552 1.289 1.00 54.33 C ATOM 1038 C ALA A 69 13.083 5.919 -0.099 1.00 74.21 C ATOM 1039 O ALA A 69 14.101 5.549 -0.692 1.00 41.13 O ATOM 1040 CB ALA A 69 12.652 8.000 1.340 1.00 14.14 C ATOM 0 H ALA A 69 15.186 6.985 1.121 1.00 33.14 H new ATOM 0 HA ALA A 69 12.508 5.957 1.927 1.00 54.33 H new ATOM 0 HB1 ALA A 69 11.621 8.036 0.989 1.00 14.14 H new ATOM 0 HB2 ALA A 69 12.699 8.366 2.366 1.00 14.14 H new ATOM 0 HB3 ALA A 69 13.275 8.627 0.702 1.00 14.14 H new ATOM 1046 N LEU A 70 11.865 5.782 -0.621 1.00 63.00 N ATOM 1047 CA LEU A 70 11.585 5.164 -1.907 1.00 54.14 C ATOM 1048 C LEU A 70 10.446 5.968 -2.531 1.00 2.55 C ATOM 1049 O LEU A 70 9.357 6.009 -1.957 1.00 63.20 O ATOM 1050 CB LEU A 70 11.218 3.683 -1.701 1.00 42.30 C ATOM 1051 CG LEU A 70 11.466 2.828 -2.953 1.00 45.51 C ATOM 1052 CD1 LEU A 70 11.230 1.351 -2.629 1.00 71.03 C ATOM 1053 CD2 LEU A 70 10.561 3.162 -4.134 1.00 23.31 C ATOM 0 H LEU A 70 11.025 6.109 -0.144 1.00 63.00 H new ATOM 0 HA LEU A 70 12.448 5.175 -2.572 1.00 54.14 H new ATOM 0 HB2 LEU A 70 11.800 3.281 -0.871 1.00 42.30 H new ATOM 0 HB3 LEU A 70 10.168 3.610 -1.419 1.00 42.30 H new ATOM 0 HG LEU A 70 12.496 3.043 -3.239 1.00 45.51 H new ATOM 0 HD11 LEU A 70 11.407 0.750 -3.521 1.00 71.03 H new ATOM 0 HD12 LEU A 70 11.913 1.038 -1.839 1.00 71.03 H new ATOM 0 HD13 LEU A 70 10.202 1.211 -2.296 1.00 71.03 H new ATOM 0 HD21 LEU A 70 10.804 2.511 -4.974 1.00 23.31 H new ATOM 0 HD22 LEU A 70 9.520 3.012 -3.848 1.00 23.31 H new ATOM 0 HD23 LEU A 70 10.711 4.202 -4.425 1.00 23.31 H new ATOM 1065 N LYS A 71 10.692 6.620 -3.668 1.00 11.14 N ATOM 1066 CA LYS A 71 9.655 7.263 -4.460 1.00 21.21 C ATOM 1067 C LYS A 71 8.821 6.162 -5.128 1.00 31.05 C ATOM 1068 O LYS A 71 9.236 5.567 -6.126 1.00 62.20 O ATOM 1069 CB LYS A 71 10.324 8.177 -5.494 1.00 2.23 C ATOM 1070 CG LYS A 71 9.381 9.259 -6.028 1.00 62.42 C ATOM 1071 CD LYS A 71 9.973 9.833 -7.317 1.00 33.35 C ATOM 1072 CE LYS A 71 9.167 11.054 -7.776 1.00 44.30 C ATOM 1073 NZ LYS A 71 9.719 11.636 -9.015 1.00 71.04 N ATOM 0 H LYS A 71 11.627 6.715 -4.065 1.00 11.14 H new ATOM 0 HA LYS A 71 8.996 7.876 -3.845 1.00 21.21 H new ATOM 0 HB2 LYS A 71 11.195 8.651 -5.043 1.00 2.23 H new ATOM 0 HB3 LYS A 71 10.685 7.573 -6.326 1.00 2.23 H new ATOM 0 HG2 LYS A 71 8.394 8.839 -6.220 1.00 62.42 H new ATOM 0 HG3 LYS A 71 9.253 10.048 -5.287 1.00 62.42 H new ATOM 0 HD2 LYS A 71 11.013 10.116 -7.153 1.00 33.35 H new ATOM 0 HD3 LYS A 71 9.969 9.072 -8.097 1.00 33.35 H new ATOM 0 HE2 LYS A 71 8.129 10.764 -7.941 1.00 44.30 H new ATOM 0 HE3 LYS A 71 9.167 11.807 -6.988 1.00 44.30 H new ATOM 0 HZ1 LYS A 71 9.149 12.459 -9.296 1.00 71.04 H new ATOM 0 HZ2 LYS A 71 10.701 11.935 -8.850 1.00 71.04 H new ATOM 0 HZ3 LYS A 71 9.696 10.924 -9.773 1.00 71.04 H new ATOM 1087 N LEU A 72 7.676 5.817 -4.544 1.00 14.14 N ATOM 1088 CA LEU A 72 6.703 4.930 -5.180 1.00 21.12 C ATOM 1089 C LEU A 72 5.851 5.762 -6.137 1.00 51.12 C ATOM 1090 O LEU A 72 5.521 6.910 -5.819 1.00 5.51 O ATOM 1091 CB LEU A 72 5.829 4.246 -4.108 1.00 54.20 C ATOM 1092 CG LEU A 72 6.349 2.841 -3.748 1.00 4.15 C ATOM 1093 CD1 LEU A 72 5.877 2.356 -2.380 1.00 22.45 C ATOM 1094 CD2 LEU A 72 5.920 1.817 -4.799 1.00 13.51 C ATOM 0 H LEU A 72 7.396 6.143 -3.619 1.00 14.14 H new ATOM 0 HA LEU A 72 7.212 4.144 -5.738 1.00 21.12 H new ATOM 0 HB2 LEU A 72 5.806 4.865 -3.211 1.00 54.20 H new ATOM 0 HB3 LEU A 72 4.804 4.171 -4.470 1.00 54.20 H new ATOM 0 HG LEU A 72 7.435 2.930 -3.719 1.00 4.15 H new ATOM 0 HD11 LEU A 72 6.278 1.361 -2.188 1.00 22.45 H new ATOM 0 HD12 LEU A 72 6.227 3.043 -1.610 1.00 22.45 H new ATOM 0 HD13 LEU A 72 4.788 2.317 -2.364 1.00 22.45 H new ATOM 0 HD21 LEU A 72 6.299 0.833 -4.524 1.00 13.51 H new ATOM 0 HD22 LEU A 72 4.832 1.785 -4.853 1.00 13.51 H new ATOM 0 HD23 LEU A 72 6.323 2.102 -5.771 1.00 13.51 H new ATOM 1106 N SER A 73 5.435 5.170 -7.258 1.00 73.04 N ATOM 1107 CA SER A 73 4.492 5.775 -8.189 1.00 51.40 C ATOM 1108 C SER A 73 3.286 4.848 -8.332 1.00 30.15 C ATOM 1109 O SER A 73 3.472 3.670 -8.657 1.00 1.55 O ATOM 1110 CB SER A 73 5.122 5.982 -9.570 1.00 23.25 C ATOM 1111 OG SER A 73 6.448 6.476 -9.585 1.00 25.43 O ATOM 0 H SER A 73 5.751 4.244 -7.545 1.00 73.04 H new ATOM 0 HA SER A 73 4.196 6.749 -7.798 1.00 51.40 H new ATOM 0 HB2 SER A 73 5.105 5.030 -10.100 1.00 23.25 H new ATOM 0 HB3 SER A 73 4.493 6.672 -10.133 1.00 23.25 H new ATOM 0 HG SER A 73 6.752 6.569 -10.512 1.00 25.43 H new ATOM 1117 N PHE A 74 2.065 5.341 -8.140 1.00 25.03 N ATOM 1118 CA PHE A 74 0.854 4.535 -8.245 1.00 50.12 C ATOM 1119 C PHE A 74 0.010 5.096 -9.378 1.00 1.35 C ATOM 1120 O PHE A 74 -0.144 6.312 -9.505 1.00 21.20 O ATOM 1121 CB PHE A 74 0.067 4.555 -6.931 1.00 22.03 C ATOM 1122 CG PHE A 74 0.856 4.191 -5.688 1.00 44.44 C ATOM 1123 CD1 PHE A 74 0.993 2.846 -5.304 1.00 44.50 C ATOM 1124 CD2 PHE A 74 1.430 5.202 -4.895 1.00 62.42 C ATOM 1125 CE1 PHE A 74 1.672 2.515 -4.123 1.00 32.05 C ATOM 1126 CE2 PHE A 74 2.084 4.873 -3.695 1.00 33.12 C ATOM 1127 CZ PHE A 74 2.200 3.528 -3.304 1.00 72.04 C ATOM 0 H PHE A 74 1.888 6.318 -7.906 1.00 25.03 H new ATOM 0 HA PHE A 74 1.119 3.498 -8.450 1.00 50.12 H new ATOM 0 HB2 PHE A 74 -0.352 5.552 -6.794 1.00 22.03 H new ATOM 0 HB3 PHE A 74 -0.773 3.866 -7.021 1.00 22.03 H new ATOM 0 HD1 PHE A 74 0.574 2.065 -5.921 1.00 44.50 H new ATOM 0 HD2 PHE A 74 1.368 6.233 -5.209 1.00 62.42 H new ATOM 0 HE1 PHE A 74 1.790 1.479 -3.842 1.00 32.05 H new ATOM 0 HE2 PHE A 74 2.497 5.654 -3.074 1.00 33.12 H new ATOM 0 HZ PHE A 74 2.693 3.274 -2.377 1.00 72.04 H new ATOM 1137 N ASP A 75 -0.537 4.224 -10.224 1.00 10.10 N ATOM 1138 CA ASP A 75 -1.298 4.696 -11.387 1.00 52.43 C ATOM 1139 C ASP A 75 -2.610 5.395 -11.013 1.00 25.41 C ATOM 1140 O ASP A 75 -3.211 6.049 -11.869 1.00 51.12 O ATOM 1141 CB ASP A 75 -1.487 3.608 -12.456 1.00 24.02 C ATOM 1142 CG ASP A 75 -2.589 2.565 -12.246 1.00 65.12 C ATOM 1143 OD1 ASP A 75 -3.698 2.859 -11.746 1.00 10.10 O ATOM 1144 OD2 ASP A 75 -2.355 1.428 -12.721 1.00 10.44 O ATOM 0 H ASP A 75 -0.472 3.210 -10.133 1.00 10.10 H new ATOM 0 HA ASP A 75 -0.679 5.467 -11.845 1.00 52.43 H new ATOM 0 HB2 ASP A 75 -1.678 4.106 -13.407 1.00 24.02 H new ATOM 0 HB3 ASP A 75 -0.541 3.076 -12.559 1.00 24.02 H new ATOM 1149 N ASP A 76 -3.029 5.312 -9.748 1.00 31.04 N ATOM 1150 CA ASP A 76 -4.273 5.859 -9.213 1.00 64.24 C ATOM 1151 C ASP A 76 -4.083 7.153 -8.410 1.00 45.23 C ATOM 1152 O ASP A 76 -5.085 7.725 -7.958 1.00 24.01 O ATOM 1153 CB ASP A 76 -4.980 4.783 -8.388 1.00 41.11 C ATOM 1154 CG ASP A 76 -4.469 4.724 -6.951 1.00 3.40 C ATOM 1155 OD1 ASP A 76 -3.277 4.400 -6.771 1.00 2.50 O ATOM 1156 OD2 ASP A 76 -5.285 4.967 -6.033 1.00 22.01 O ATOM 0 H ASP A 76 -2.479 4.836 -9.033 1.00 31.04 H new ATOM 0 HA ASP A 76 -4.897 6.145 -10.060 1.00 64.24 H new ATOM 0 HB2 ASP A 76 -6.052 4.979 -8.382 1.00 41.11 H new ATOM 0 HB3 ASP A 76 -4.836 3.812 -8.862 1.00 41.11 H new ATOM 1161 N GLY A 77 -2.840 7.641 -8.291 1.00 10.51 N ATOM 1162 CA GLY A 77 -2.517 8.996 -7.863 1.00 62.02 C ATOM 1163 C GLY A 77 -1.508 9.053 -6.717 1.00 61.34 C ATOM 1164 O GLY A 77 -0.955 8.041 -6.288 1.00 50.31 O ATOM 0 H GLY A 77 -2.012 7.082 -8.498 1.00 10.51 H new ATOM 0 HA2 GLY A 77 -2.120 9.551 -8.713 1.00 62.02 H new ATOM 0 HA3 GLY A 77 -3.434 9.498 -7.554 1.00 62.02 H new ATOM 1168 N HIS A 78 -1.308 10.277 -6.224 1.00 24.44 N ATOM 1169 CA HIS A 78 -0.511 10.726 -5.089 1.00 44.51 C ATOM 1170 C HIS A 78 0.871 10.057 -5.065 1.00 21.14 C ATOM 1171 O HIS A 78 1.181 9.222 -4.209 1.00 74.04 O ATOM 1172 CB HIS A 78 -1.368 10.643 -3.811 1.00 44.14 C ATOM 1173 CG HIS A 78 -0.735 11.062 -2.503 1.00 52.31 C ATOM 1174 ND1 HIS A 78 0.519 11.574 -2.285 1.00 13.34 N flip ATOM 1175 CD2 HIS A 78 -1.367 11.005 -1.283 1.00 14.44 C flip ATOM 1176 CE1 HIS A 78 0.658 11.801 -0.911 1.00 14.44 C flip ATOM 1177 NE2 HIS A 78 -0.504 11.431 -0.353 1.00 22.40 N flip ATOM 0 H HIS A 78 -1.760 11.074 -6.671 1.00 24.44 H new ATOM 0 HA HIS A 78 -0.243 11.779 -5.177 1.00 44.51 H new ATOM 0 HB2 HIS A 78 -2.256 11.257 -3.964 1.00 44.14 H new ATOM 0 HB3 HIS A 78 -1.707 9.613 -3.703 1.00 44.14 H new ATOM 0 HD2 HIS A 78 -2.380 10.675 -1.107 1.00 14.44 H new ATOM 0 HE1 HIS A 78 1.526 12.195 -0.403 1.00 14.44 H new ATOM 0 HE2 HIS A 78 -0.703 11.469 0.647 1.00 22.40 H new ATOM 1185 N ASP A 79 1.729 10.478 -5.990 1.00 42.50 N ATOM 1186 CA ASP A 79 3.095 9.990 -6.190 1.00 41.53 C ATOM 1187 C ASP A 79 4.103 10.732 -5.289 1.00 2.45 C ATOM 1188 O ASP A 79 5.215 11.033 -5.721 1.00 52.23 O ATOM 1189 CB ASP A 79 3.488 10.115 -7.670 1.00 41.33 C ATOM 1190 CG ASP A 79 2.549 9.384 -8.620 1.00 23.14 C ATOM 1191 OD1 ASP A 79 2.492 8.138 -8.590 1.00 73.04 O ATOM 1192 OD2 ASP A 79 1.905 10.077 -9.438 1.00 42.12 O ATOM 0 H ASP A 79 1.479 11.208 -6.657 1.00 42.50 H new ATOM 0 HA ASP A 79 3.123 8.938 -5.905 1.00 41.53 H new ATOM 0 HB2 ASP A 79 3.515 11.170 -7.941 1.00 41.33 H new ATOM 0 HB3 ASP A 79 4.498 9.727 -7.802 1.00 41.33 H new ATOM 1197 N SER A 80 3.715 11.070 -4.054 1.00 24.43 N ATOM 1198 CA SER A 80 4.535 11.780 -3.063 1.00 71.04 C ATOM 1199 C SER A 80 4.513 11.097 -1.688 1.00 1.15 C ATOM 1200 O SER A 80 4.820 11.739 -0.674 1.00 44.53 O ATOM 1201 CB SER A 80 4.112 13.259 -2.977 1.00 22.15 C ATOM 1202 OG SER A 80 4.708 14.044 -3.993 1.00 1.35 O ATOM 0 H SER A 80 2.784 10.848 -3.702 1.00 24.43 H new ATOM 0 HA SER A 80 5.570 11.741 -3.401 1.00 71.04 H new ATOM 0 HB2 SER A 80 3.027 13.330 -3.054 1.00 22.15 H new ATOM 0 HB3 SER A 80 4.389 13.659 -2.001 1.00 22.15 H new ATOM 0 HG SER A 80 4.412 14.974 -3.904 1.00 1.35 H new ATOM 1208 N GLY A 81 4.151 9.813 -1.627 1.00 70.12 N ATOM 1209 CA GLY A 81 4.176 9.039 -0.401 1.00 45.21 C ATOM 1210 C GLY A 81 5.610 8.943 0.107 1.00 62.21 C ATOM 1211 O GLY A 81 6.429 8.242 -0.477 1.00 63.31 O ATOM 0 H GLY A 81 3.831 9.285 -2.439 1.00 70.12 H new ATOM 0 HA2 GLY A 81 3.542 9.508 0.352 1.00 45.21 H new ATOM 0 HA3 GLY A 81 3.774 8.042 -0.579 1.00 45.21 H new ATOM 1215 N LEU A 82 5.930 9.654 1.189 1.00 72.01 N ATOM 1216 CA LEU A 82 7.252 9.653 1.811 1.00 3.15 C ATOM 1217 C LEU A 82 7.491 8.335 2.565 1.00 53.54 C ATOM 1218 O LEU A 82 7.450 8.293 3.794 1.00 73.20 O ATOM 1219 CB LEU A 82 7.400 10.905 2.706 1.00 25.34 C ATOM 1220 CG LEU A 82 8.020 12.100 1.960 1.00 4.55 C ATOM 1221 CD1 LEU A 82 7.866 13.371 2.803 1.00 54.54 C ATOM 1222 CD2 LEU A 82 9.511 11.877 1.668 1.00 62.23 C ATOM 0 H LEU A 82 5.262 10.259 1.667 1.00 72.01 H new ATOM 0 HA LEU A 82 8.028 9.709 1.047 1.00 3.15 H new ATOM 0 HB2 LEU A 82 6.420 11.190 3.089 1.00 25.34 H new ATOM 0 HB3 LEU A 82 8.020 10.659 3.568 1.00 25.34 H new ATOM 0 HG LEU A 82 7.494 12.204 1.011 1.00 4.55 H new ATOM 0 HD11 LEU A 82 8.306 14.215 2.272 1.00 54.54 H new ATOM 0 HD12 LEU A 82 6.808 13.565 2.979 1.00 54.54 H new ATOM 0 HD13 LEU A 82 8.374 13.238 3.758 1.00 54.54 H new ATOM 0 HD21 LEU A 82 9.912 12.743 1.141 1.00 62.23 H new ATOM 0 HD22 LEU A 82 10.049 11.742 2.606 1.00 62.23 H new ATOM 0 HD23 LEU A 82 9.632 10.987 1.050 1.00 62.23 H new ATOM 1234 N PHE A 83 7.713 7.245 1.828 1.00 72.21 N ATOM 1235 CA PHE A 83 8.046 5.938 2.388 1.00 52.13 C ATOM 1236 C PHE A 83 9.421 5.965 3.051 1.00 70.00 C ATOM 1237 O PHE A 83 10.200 6.904 2.882 1.00 74.42 O ATOM 1238 CB PHE A 83 7.984 4.866 1.289 1.00 33.13 C ATOM 1239 CG PHE A 83 6.563 4.589 0.852 1.00 61.31 C ATOM 1240 CD1 PHE A 83 5.758 3.725 1.615 1.00 24.03 C ATOM 1241 CD2 PHE A 83 6.019 5.243 -0.268 1.00 42.33 C ATOM 1242 CE1 PHE A 83 4.414 3.537 1.266 1.00 53.30 C ATOM 1243 CE2 PHE A 83 4.665 5.069 -0.605 1.00 50.31 C ATOM 1244 CZ PHE A 83 3.865 4.207 0.164 1.00 51.20 C ATOM 0 H PHE A 83 7.665 7.248 0.809 1.00 72.21 H new ATOM 0 HA PHE A 83 7.314 5.689 3.157 1.00 52.13 H new ATOM 0 HB2 PHE A 83 8.571 5.192 0.430 1.00 33.13 H new ATOM 0 HB3 PHE A 83 8.438 3.945 1.654 1.00 33.13 H new ATOM 0 HD1 PHE A 83 6.174 3.208 2.467 1.00 24.03 H new ATOM 0 HD2 PHE A 83 6.645 5.883 -0.873 1.00 42.33 H new ATOM 0 HE1 PHE A 83 3.797 2.871 1.850 1.00 53.30 H new ATOM 0 HE2 PHE A 83 4.243 5.594 -1.449 1.00 50.31 H new ATOM 0 HZ PHE A 83 2.827 4.061 -0.094 1.00 51.20 H new ATOM 1254 N THR A 84 9.754 4.921 3.808 1.00 21.14 N ATOM 1255 CA THR A 84 11.053 4.782 4.454 1.00 14.32 C ATOM 1256 C THR A 84 11.358 3.286 4.568 1.00 43.43 C ATOM 1257 O THR A 84 10.440 2.463 4.614 1.00 14.44 O ATOM 1258 CB THR A 84 11.040 5.498 5.822 1.00 11.33 C ATOM 1259 OG1 THR A 84 10.358 6.736 5.729 1.00 52.21 O ATOM 1260 CG2 THR A 84 12.442 5.808 6.353 1.00 11.45 C ATOM 0 H THR A 84 9.122 4.142 3.990 1.00 21.14 H new ATOM 0 HA THR A 84 11.844 5.254 3.870 1.00 14.32 H new ATOM 0 HB THR A 84 10.542 4.808 6.503 1.00 11.33 H new ATOM 0 HG1 THR A 84 10.358 7.176 6.605 1.00 52.21 H new ATOM 0 HG21 THR A 84 12.363 6.311 7.317 1.00 11.45 H new ATOM 0 HG22 THR A 84 12.999 4.879 6.473 1.00 11.45 H new ATOM 0 HG23 THR A 84 12.963 6.455 5.648 1.00 11.45 H new ATOM 1268 N TRP A 85 12.636 2.918 4.606 1.00 71.42 N ATOM 1269 CA TRP A 85 13.068 1.523 4.596 1.00 4.44 C ATOM 1270 C TRP A 85 12.511 0.719 5.779 1.00 4.32 C ATOM 1271 O TRP A 85 12.009 -0.388 5.596 1.00 63.21 O ATOM 1272 CB TRP A 85 14.599 1.494 4.537 1.00 44.31 C ATOM 1273 CG TRP A 85 15.205 1.887 3.224 1.00 23.14 C ATOM 1274 CD1 TRP A 85 16.256 2.721 3.077 1.00 52.33 C ATOM 1275 CD2 TRP A 85 14.853 1.457 1.871 1.00 4.21 C ATOM 1276 NE1 TRP A 85 16.500 2.928 1.736 1.00 65.41 N ATOM 1277 CE2 TRP A 85 15.676 2.164 0.946 1.00 25.41 C ATOM 1278 CE3 TRP A 85 13.932 0.540 1.322 1.00 11.32 C ATOM 1279 CZ2 TRP A 85 15.563 2.008 -0.443 1.00 23.33 C ATOM 1280 CZ3 TRP A 85 13.824 0.361 -0.068 1.00 10.53 C ATOM 1281 CH2 TRP A 85 14.636 1.091 -0.952 1.00 21.45 C ATOM 0 H TRP A 85 13.407 3.585 4.645 1.00 71.42 H new ATOM 0 HA TRP A 85 12.661 1.030 3.713 1.00 4.44 H new ATOM 0 HB2 TRP A 85 14.987 2.159 5.309 1.00 44.31 H new ATOM 0 HB3 TRP A 85 14.935 0.487 4.785 1.00 44.31 H new ATOM 0 HD1 TRP A 85 16.820 3.160 3.887 1.00 52.33 H new ATOM 0 HE1 TRP A 85 17.206 3.570 1.375 1.00 65.41 H new ATOM 0 HE3 TRP A 85 13.299 -0.035 1.982 1.00 11.32 H new ATOM 0 HZ2 TRP A 85 16.183 2.588 -1.111 1.00 23.33 H new ATOM 0 HZ3 TRP A 85 13.108 -0.346 -0.461 1.00 10.53 H new ATOM 0 HH2 TRP A 85 14.545 0.945 -2.018 1.00 21.45 H new ATOM 1292 N ASP A 86 12.552 1.288 6.991 1.00 74.20 N ATOM 1293 CA ASP A 86 12.101 0.646 8.245 1.00 54.23 C ATOM 1294 C ASP A 86 10.571 0.516 8.314 1.00 4.12 C ATOM 1295 O ASP A 86 10.024 0.007 9.293 1.00 30.04 O ATOM 1296 CB ASP A 86 12.634 1.435 9.469 1.00 14.32 C ATOM 1297 CG ASP A 86 13.765 0.745 10.250 1.00 53.13 C ATOM 1298 OD1 ASP A 86 14.386 -0.217 9.741 1.00 71.11 O ATOM 1299 OD2 ASP A 86 14.153 1.253 11.327 1.00 12.14 O ATOM 0 H ASP A 86 12.908 2.233 7.136 1.00 74.20 H new ATOM 0 HA ASP A 86 12.509 -0.364 8.261 1.00 54.23 H new ATOM 0 HB2 ASP A 86 12.990 2.407 9.128 1.00 14.32 H new ATOM 0 HB3 ASP A 86 11.804 1.621 10.151 1.00 14.32 H new ATOM 1304 N TYR A 87 9.872 0.984 7.284 1.00 12.21 N ATOM 1305 CA TYR A 87 8.426 1.003 7.149 1.00 21.23 C ATOM 1306 C TYR A 87 7.993 0.097 5.993 1.00 42.10 C ATOM 1307 O TYR A 87 7.069 -0.702 6.144 1.00 42.20 O ATOM 1308 CB TYR A 87 8.012 2.463 6.961 1.00 1.24 C ATOM 1309 CG TYR A 87 6.558 2.656 6.628 1.00 41.52 C ATOM 1310 CD1 TYR A 87 5.582 2.133 7.489 1.00 31.21 C ATOM 1311 CD2 TYR A 87 6.185 3.389 5.485 1.00 5.45 C ATOM 1312 CE1 TYR A 87 4.233 2.406 7.254 1.00 54.43 C ATOM 1313 CE2 TYR A 87 4.831 3.664 5.242 1.00 22.31 C ATOM 1314 CZ TYR A 87 3.857 3.221 6.162 1.00 31.32 C ATOM 1315 OH TYR A 87 2.566 3.620 6.033 1.00 65.10 O ATOM 0 H TYR A 87 10.336 1.386 6.469 1.00 12.21 H new ATOM 0 HA TYR A 87 7.927 0.608 8.034 1.00 21.23 H new ATOM 0 HB2 TYR A 87 8.240 3.013 7.874 1.00 1.24 H new ATOM 0 HB3 TYR A 87 8.616 2.900 6.166 1.00 1.24 H new ATOM 0 HD1 TYR A 87 5.873 1.522 8.330 1.00 31.21 H new ATOM 0 HD2 TYR A 87 6.940 3.739 4.797 1.00 5.45 H new ATOM 0 HE1 TYR A 87 3.477 1.995 7.906 1.00 54.43 H new ATOM 0 HE2 TYR A 87 4.536 4.210 4.358 1.00 22.31 H new ATOM 0 HH TYR A 87 1.972 2.849 6.151 1.00 65.10 H new ATOM 1325 N LEU A 88 8.693 0.163 4.855 1.00 31.41 N ATOM 1326 CA LEU A 88 8.425 -0.654 3.669 1.00 32.12 C ATOM 1327 C LEU A 88 8.428 -2.142 4.026 1.00 41.44 C ATOM 1328 O LEU A 88 7.494 -2.864 3.671 1.00 24.14 O ATOM 1329 CB LEU A 88 9.472 -0.349 2.581 1.00 72.11 C ATOM 1330 CG LEU A 88 9.164 0.957 1.822 1.00 24.11 C ATOM 1331 CD1 LEU A 88 10.437 1.568 1.232 1.00 11.41 C ATOM 1332 CD2 LEU A 88 8.151 0.721 0.694 1.00 30.25 C ATOM 0 H LEU A 88 9.479 0.801 4.732 1.00 31.41 H new ATOM 0 HA LEU A 88 7.436 -0.406 3.284 1.00 32.12 H new ATOM 0 HB2 LEU A 88 10.458 -0.276 3.039 1.00 72.11 H new ATOM 0 HB3 LEU A 88 9.510 -1.177 1.874 1.00 72.11 H new ATOM 0 HG LEU A 88 8.736 1.650 2.546 1.00 24.11 H new ATOM 0 HD11 LEU A 88 10.188 2.488 0.703 1.00 11.41 H new ATOM 0 HD12 LEU A 88 11.140 1.790 2.035 1.00 11.41 H new ATOM 0 HD13 LEU A 88 10.892 0.862 0.537 1.00 11.41 H new ATOM 0 HD21 LEU A 88 7.955 1.661 0.178 1.00 30.25 H new ATOM 0 HD22 LEU A 88 8.556 -0.003 -0.013 1.00 30.25 H new ATOM 0 HD23 LEU A 88 7.221 0.337 1.114 1.00 30.25 H new ATOM 1344 N TYR A 89 9.461 -2.594 4.737 1.00 32.45 N ATOM 1345 CA TYR A 89 9.584 -3.981 5.170 1.00 22.05 C ATOM 1346 C TYR A 89 8.689 -4.345 6.338 1.00 23.13 C ATOM 1347 O TYR A 89 8.323 -5.510 6.452 1.00 31.05 O ATOM 1348 CB TYR A 89 11.039 -4.277 5.496 1.00 62.00 C ATOM 1349 CG TYR A 89 11.727 -4.873 4.290 1.00 13.43 C ATOM 1350 CD1 TYR A 89 11.290 -6.101 3.754 1.00 21.45 C ATOM 1351 CD2 TYR A 89 12.737 -4.155 3.635 1.00 52.52 C ATOM 1352 CE1 TYR A 89 11.903 -6.631 2.623 1.00 41.14 C ATOM 1353 CE2 TYR A 89 13.388 -4.715 2.526 1.00 45.52 C ATOM 1354 CZ TYR A 89 12.994 -5.981 2.033 1.00 44.54 C ATOM 1355 OH TYR A 89 13.644 -6.605 1.018 1.00 5.31 O ATOM 0 H TYR A 89 10.239 -2.003 5.029 1.00 32.45 H new ATOM 0 HA TYR A 89 9.244 -4.603 4.342 1.00 22.05 H new ATOM 0 HB2 TYR A 89 11.546 -3.361 5.799 1.00 62.00 H new ATOM 0 HB3 TYR A 89 11.099 -4.967 6.337 1.00 62.00 H new ATOM 0 HD1 TYR A 89 10.476 -6.633 4.223 1.00 21.45 H new ATOM 0 HD2 TYR A 89 13.014 -3.171 3.984 1.00 52.52 H new ATOM 0 HE1 TYR A 89 11.534 -7.552 2.196 1.00 41.14 H new ATOM 0 HE2 TYR A 89 14.193 -4.178 2.047 1.00 45.52 H new ATOM 0 HH TYR A 89 13.845 -7.529 1.277 1.00 5.31 H new ATOM 1365 N GLU A 90 8.291 -3.383 7.161 1.00 53.10 N ATOM 1366 CA GLU A 90 7.344 -3.643 8.230 1.00 72.12 C ATOM 1367 C GLU A 90 6.039 -4.114 7.594 1.00 32.44 C ATOM 1368 O GLU A 90 5.527 -5.197 7.875 1.00 71.01 O ATOM 1369 CB GLU A 90 7.147 -2.354 9.038 1.00 42.43 C ATOM 1370 CG GLU A 90 6.822 -2.660 10.498 1.00 65.43 C ATOM 1371 CD GLU A 90 8.132 -2.881 11.254 1.00 5.52 C ATOM 1372 OE1 GLU A 90 8.773 -3.946 11.070 1.00 53.14 O ATOM 1373 OE2 GLU A 90 8.578 -1.916 11.917 1.00 45.14 O ATOM 0 H GLU A 90 8.611 -2.416 7.106 1.00 53.10 H new ATOM 0 HA GLU A 90 7.704 -4.415 8.910 1.00 72.12 H new ATOM 0 HB2 GLU A 90 8.050 -1.746 8.984 1.00 42.43 H new ATOM 0 HB3 GLU A 90 6.341 -1.766 8.599 1.00 42.43 H new ATOM 0 HG2 GLU A 90 6.264 -1.836 10.942 1.00 65.43 H new ATOM 0 HG3 GLU A 90 6.191 -3.546 10.567 1.00 65.43 H new ATOM 1380 N LEU A 91 5.556 -3.317 6.643 1.00 33.24 N ATOM 1381 CA LEU A 91 4.352 -3.584 5.882 1.00 45.34 C ATOM 1382 C LEU A 91 4.467 -4.886 5.092 1.00 24.25 C ATOM 1383 O LEU A 91 3.472 -5.596 4.982 1.00 70.12 O ATOM 1384 CB LEU A 91 4.082 -2.385 4.965 1.00 4.52 C ATOM 1385 CG LEU A 91 3.729 -1.093 5.728 1.00 10.21 C ATOM 1386 CD1 LEU A 91 3.667 0.077 4.753 1.00 22.15 C ATOM 1387 CD2 LEU A 91 2.382 -1.200 6.424 1.00 41.24 C ATOM 0 H LEU A 91 6.010 -2.443 6.378 1.00 33.24 H new ATOM 0 HA LEU A 91 3.510 -3.715 6.562 1.00 45.34 H new ATOM 0 HB2 LEU A 91 4.962 -2.204 4.348 1.00 4.52 H new ATOM 0 HB3 LEU A 91 3.264 -2.633 4.288 1.00 4.52 H new ATOM 0 HG LEU A 91 4.503 -0.937 6.479 1.00 10.21 H new ATOM 0 HD11 LEU A 91 3.417 0.989 5.295 1.00 22.15 H new ATOM 0 HD12 LEU A 91 4.635 0.197 4.267 1.00 22.15 H new ATOM 0 HD13 LEU A 91 2.904 -0.118 3.999 1.00 22.15 H new ATOM 0 HD21 LEU A 91 2.170 -0.270 6.950 1.00 41.24 H new ATOM 0 HD22 LEU A 91 1.603 -1.384 5.684 1.00 41.24 H new ATOM 0 HD23 LEU A 91 2.406 -2.023 7.138 1.00 41.24 H new ATOM 1399 N ALA A 92 5.668 -5.238 4.610 1.00 11.45 N ATOM 1400 CA ALA A 92 5.912 -6.498 3.915 1.00 65.14 C ATOM 1401 C ALA A 92 5.473 -7.706 4.755 1.00 44.23 C ATOM 1402 O ALA A 92 4.895 -8.632 4.196 1.00 64.24 O ATOM 1403 CB ALA A 92 7.380 -6.628 3.493 1.00 32.41 C ATOM 0 H ALA A 92 6.497 -4.650 4.695 1.00 11.45 H new ATOM 0 HA ALA A 92 5.302 -6.488 3.011 1.00 65.14 H new ATOM 0 HB1 ALA A 92 7.528 -7.577 2.978 1.00 32.41 H new ATOM 0 HB2 ALA A 92 7.640 -5.808 2.824 1.00 32.41 H new ATOM 0 HB3 ALA A 92 8.017 -6.591 4.377 1.00 32.41 H new ATOM 1409 N THR A 93 5.731 -7.716 6.069 1.00 73.13 N ATOM 1410 CA THR A 93 5.384 -8.849 6.926 1.00 65.32 C ATOM 1411 C THR A 93 4.026 -8.635 7.599 1.00 53.12 C ATOM 1412 O THR A 93 3.251 -9.589 7.707 1.00 10.43 O ATOM 1413 CB THR A 93 6.537 -9.188 7.890 1.00 22.14 C ATOM 1414 OG1 THR A 93 6.198 -10.263 8.748 1.00 2.24 O ATOM 1415 CG2 THR A 93 7.005 -8.018 8.745 1.00 1.34 C ATOM 0 H THR A 93 6.182 -6.945 6.561 1.00 73.13 H new ATOM 0 HA THR A 93 5.258 -9.740 6.311 1.00 65.32 H new ATOM 0 HB THR A 93 7.362 -9.466 7.234 1.00 22.14 H new ATOM 0 HG1 THR A 93 6.951 -10.454 9.346 1.00 2.24 H new ATOM 0 HG21 THR A 93 7.818 -8.344 9.394 1.00 1.34 H new ATOM 0 HG22 THR A 93 7.356 -7.213 8.099 1.00 1.34 H new ATOM 0 HG23 THR A 93 6.176 -7.658 9.355 1.00 1.34 H new ATOM 1423 N ARG A 94 3.677 -7.402 7.987 1.00 4.53 N ATOM 1424 CA ARG A 94 2.420 -7.069 8.671 1.00 21.14 C ATOM 1425 C ARG A 94 1.207 -7.131 7.736 1.00 45.41 C ATOM 1426 O ARG A 94 0.092 -6.820 8.159 1.00 32.35 O ATOM 1427 CB ARG A 94 2.545 -5.664 9.279 1.00 24.13 C ATOM 1428 CG ARG A 94 3.480 -5.583 10.498 1.00 42.53 C ATOM 1429 CD ARG A 94 2.707 -5.473 11.826 1.00 44.53 C ATOM 1430 NE ARG A 94 2.437 -6.771 12.465 1.00 51.11 N ATOM 1431 CZ ARG A 94 2.304 -6.981 13.781 1.00 1.13 C ATOM 1432 NH1 ARG A 94 2.410 -5.990 14.661 1.00 13.21 N ATOM 1433 NH2 ARG A 94 2.047 -8.201 14.232 1.00 52.24 N ATOM 0 H ARG A 94 4.274 -6.590 7.831 1.00 4.53 H new ATOM 0 HA ARG A 94 2.253 -7.812 9.451 1.00 21.14 H new ATOM 0 HB2 ARG A 94 2.907 -4.980 8.512 1.00 24.13 H new ATOM 0 HB3 ARG A 94 1.554 -5.318 9.572 1.00 24.13 H new ATOM 0 HG2 ARG A 94 4.116 -6.468 10.524 1.00 42.53 H new ATOM 0 HG3 ARG A 94 4.138 -4.720 10.391 1.00 42.53 H new ATOM 0 HD2 ARG A 94 3.276 -4.850 12.516 1.00 44.53 H new ATOM 0 HD3 ARG A 94 1.760 -4.964 11.644 1.00 44.53 H new ATOM 0 HE ARG A 94 2.343 -7.581 11.852 1.00 51.11 H new ATOM 0 HH11 ARG A 94 2.597 -5.040 14.339 1.00 13.21 H new ATOM 0 HH12 ARG A 94 2.304 -6.179 15.658 1.00 13.21 H new ATOM 0 HH21 ARG A 94 1.951 -8.977 13.577 1.00 52.24 H new ATOM 0 HH22 ARG A 94 1.945 -8.363 15.234 1.00 52.24 H new ATOM 1447 N LYS A 95 1.414 -7.455 6.456 1.00 65.22 N ATOM 1448 CA LYS A 95 0.396 -7.374 5.426 1.00 54.42 C ATOM 1449 C LYS A 95 -0.871 -8.116 5.811 1.00 34.23 C ATOM 1450 O LYS A 95 -1.942 -7.556 5.621 1.00 42.22 O ATOM 1451 CB LYS A 95 0.948 -7.889 4.088 1.00 52.11 C ATOM 1452 CG LYS A 95 -0.118 -7.848 2.978 1.00 52.51 C ATOM 1453 CD LYS A 95 0.432 -8.306 1.618 1.00 30.41 C ATOM 1454 CE LYS A 95 0.174 -9.757 1.188 1.00 51.32 C ATOM 1455 NZ LYS A 95 -1.223 -10.191 1.405 1.00 22.11 N ATOM 0 H LYS A 95 2.314 -7.786 6.109 1.00 65.22 H new ATOM 0 HA LYS A 95 0.126 -6.324 5.315 1.00 54.42 H new ATOM 0 HB2 LYS A 95 1.805 -7.285 3.791 1.00 52.11 H new ATOM 0 HB3 LYS A 95 1.306 -8.911 4.211 1.00 52.11 H new ATOM 0 HG2 LYS A 95 -0.957 -8.484 3.260 1.00 52.51 H new ATOM 0 HG3 LYS A 95 -0.505 -6.833 2.887 1.00 52.51 H new ATOM 0 HD2 LYS A 95 0.016 -7.652 0.852 1.00 30.41 H new ATOM 0 HD3 LYS A 95 1.510 -8.146 1.623 1.00 30.41 H new ATOM 0 HE2 LYS A 95 0.421 -9.865 0.132 1.00 51.32 H new ATOM 0 HE3 LYS A 95 0.842 -10.417 1.741 1.00 51.32 H new ATOM 0 HZ1 LYS A 95 -1.411 -11.049 0.848 1.00 22.11 H new ATOM 0 HZ2 LYS A 95 -1.371 -10.395 2.414 1.00 22.11 H new ATOM 0 HZ3 LYS A 95 -1.872 -9.435 1.106 1.00 22.11 H new ATOM 1469 N ASP A 96 -0.776 -9.369 6.244 1.00 25.24 N ATOM 1470 CA ASP A 96 -1.943 -10.241 6.392 1.00 42.54 C ATOM 1471 C ASP A 96 -2.952 -9.635 7.371 1.00 63.41 C ATOM 1472 O ASP A 96 -4.154 -9.630 7.094 1.00 23.20 O ATOM 1473 CB ASP A 96 -1.513 -11.643 6.838 1.00 21.24 C ATOM 1474 CG ASP A 96 -2.503 -12.721 6.402 1.00 33.04 C ATOM 1475 OD1 ASP A 96 -2.683 -12.914 5.172 1.00 42.32 O ATOM 1476 OD2 ASP A 96 -2.944 -13.504 7.266 1.00 71.11 O ATOM 0 H ASP A 96 0.107 -9.810 6.502 1.00 25.24 H new ATOM 0 HA ASP A 96 -2.432 -10.331 5.422 1.00 42.54 H new ATOM 0 HB2 ASP A 96 -0.530 -11.867 6.424 1.00 21.24 H new ATOM 0 HB3 ASP A 96 -1.414 -11.662 7.923 1.00 21.24 H new ATOM 1481 N GLN A 97 -2.443 -9.076 8.475 1.00 54.51 N ATOM 1482 CA GLN A 97 -3.184 -8.336 9.486 1.00 22.02 C ATOM 1483 C GLN A 97 -3.773 -7.063 8.886 1.00 53.31 C ATOM 1484 O GLN A 97 -4.982 -6.861 8.914 1.00 22.30 O ATOM 1485 CB GLN A 97 -2.236 -8.016 10.666 1.00 51.20 C ATOM 1486 CG GLN A 97 -2.923 -7.374 11.881 1.00 23.44 C ATOM 1487 CD GLN A 97 -4.001 -8.322 12.412 1.00 73.42 C ATOM 1488 OE1 GLN A 97 -3.697 -9.380 12.958 1.00 45.53 O ATOM 1489 NE2 GLN A 97 -5.270 -8.059 12.173 1.00 31.22 N ATOM 0 H GLN A 97 -1.448 -9.135 8.693 1.00 54.51 H new ATOM 0 HA GLN A 97 -4.015 -8.938 9.853 1.00 22.02 H new ATOM 0 HB2 GLN A 97 -1.750 -8.938 10.985 1.00 51.20 H new ATOM 0 HB3 GLN A 97 -1.451 -7.347 10.313 1.00 51.20 H new ATOM 0 HG2 GLN A 97 -2.190 -7.166 12.660 1.00 23.44 H new ATOM 0 HG3 GLN A 97 -3.368 -6.420 11.599 1.00 23.44 H new ATOM 0 HE21 GLN A 97 -5.533 -7.184 11.720 1.00 31.22 H new ATOM 0 HE22 GLN A 97 -5.989 -8.731 12.441 1.00 31.22 H new ATOM 1498 N LEU A 98 -2.919 -6.191 8.356 1.00 51.14 N ATOM 1499 CA LEU A 98 -3.270 -4.854 7.886 1.00 13.41 C ATOM 1500 C LEU A 98 -4.266 -4.907 6.739 1.00 10.40 C ATOM 1501 O LEU A 98 -5.171 -4.081 6.637 1.00 22.00 O ATOM 1502 CB LEU A 98 -1.980 -4.172 7.412 1.00 23.24 C ATOM 1503 CG LEU A 98 -1.246 -3.373 8.503 1.00 23.33 C ATOM 1504 CD1 LEU A 98 -1.192 -4.048 9.874 1.00 43.41 C ATOM 1505 CD2 LEU A 98 0.170 -3.125 8.000 1.00 44.30 C ATOM 0 H LEU A 98 -1.928 -6.404 8.238 1.00 51.14 H new ATOM 0 HA LEU A 98 -3.737 -4.299 8.699 1.00 13.41 H new ATOM 0 HB2 LEU A 98 -1.305 -4.932 7.019 1.00 23.24 H new ATOM 0 HB3 LEU A 98 -2.220 -3.501 6.587 1.00 23.24 H new ATOM 0 HG LEU A 98 -1.808 -2.454 8.667 1.00 23.33 H new ATOM 0 HD11 LEU A 98 -0.655 -3.408 10.574 1.00 43.41 H new ATOM 0 HD12 LEU A 98 -2.206 -4.214 10.238 1.00 43.41 H new ATOM 0 HD13 LEU A 98 -0.676 -5.005 9.789 1.00 43.41 H new ATOM 0 HD21 LEU A 98 0.727 -2.559 8.746 1.00 44.30 H new ATOM 0 HD22 LEU A 98 0.666 -4.080 7.824 1.00 44.30 H new ATOM 0 HD23 LEU A 98 0.132 -2.559 7.069 1.00 44.30 H new ATOM 1517 N TRP A 99 -4.091 -5.866 5.841 1.00 11.52 N ATOM 1518 CA TRP A 99 -4.994 -6.079 4.737 1.00 63.44 C ATOM 1519 C TRP A 99 -6.326 -6.627 5.239 1.00 25.20 C ATOM 1520 O TRP A 99 -7.360 -6.199 4.738 1.00 65.05 O ATOM 1521 CB TRP A 99 -4.347 -6.993 3.694 1.00 11.13 C ATOM 1522 CG TRP A 99 -5.174 -7.162 2.463 1.00 61.45 C ATOM 1523 CD1 TRP A 99 -5.667 -8.337 2.023 1.00 65.24 C ATOM 1524 CD2 TRP A 99 -5.744 -6.138 1.594 1.00 51.13 C ATOM 1525 NE1 TRP A 99 -6.455 -8.126 0.910 1.00 61.41 N ATOM 1526 CE2 TRP A 99 -6.588 -6.780 0.640 1.00 12.11 C ATOM 1527 CE3 TRP A 99 -5.675 -4.728 1.547 1.00 4.23 C ATOM 1528 CZ2 TRP A 99 -7.351 -6.055 -0.285 1.00 32.02 C ATOM 1529 CZ3 TRP A 99 -6.422 -3.994 0.611 1.00 45.32 C ATOM 1530 CH2 TRP A 99 -7.272 -4.654 -0.289 1.00 33.13 C ATOM 0 H TRP A 99 -3.309 -6.520 5.865 1.00 11.52 H new ATOM 0 HA TRP A 99 -5.201 -5.126 4.250 1.00 63.44 H new ATOM 0 HB2 TRP A 99 -3.375 -6.585 3.417 1.00 11.13 H new ATOM 0 HB3 TRP A 99 -4.167 -7.971 4.140 1.00 11.13 H new ATOM 0 HD1 TRP A 99 -5.474 -9.299 2.474 1.00 65.24 H new ATOM 0 HE1 TRP A 99 -6.884 -8.869 0.358 1.00 61.41 H new ATOM 0 HE3 TRP A 99 -5.036 -4.205 2.243 1.00 4.23 H new ATOM 0 HZ2 TRP A 99 -7.992 -6.568 -0.986 1.00 32.02 H new ATOM 0 HZ3 TRP A 99 -6.342 -2.917 0.584 1.00 45.32 H new ATOM 0 HH2 TRP A 99 -7.867 -4.083 -0.986 1.00 33.13 H new ATOM 1541 N ALA A 100 -6.335 -7.507 6.248 1.00 73.23 N ATOM 1542 CA ALA A 100 -7.585 -7.945 6.856 1.00 45.14 C ATOM 1543 C ALA A 100 -8.315 -6.755 7.481 1.00 22.10 C ATOM 1544 O ALA A 100 -9.529 -6.636 7.344 1.00 45.13 O ATOM 1545 CB ALA A 100 -7.333 -9.004 7.930 1.00 73.43 C ATOM 0 H ALA A 100 -5.496 -7.923 6.653 1.00 73.23 H new ATOM 0 HA ALA A 100 -8.202 -8.382 6.071 1.00 45.14 H new ATOM 0 HB1 ALA A 100 -8.283 -9.313 8.367 1.00 73.43 H new ATOM 0 HB2 ALA A 100 -6.842 -9.868 7.481 1.00 73.43 H new ATOM 0 HB3 ALA A 100 -6.694 -8.588 8.709 1.00 73.43 H new ATOM 1551 N ASP A 101 -7.579 -5.894 8.176 1.00 3.20 N ATOM 1552 CA ASP A 101 -8.072 -4.685 8.828 1.00 74.14 C ATOM 1553 C ASP A 101 -8.688 -3.744 7.790 1.00 30.41 C ATOM 1554 O ASP A 101 -9.788 -3.225 7.975 1.00 44.12 O ATOM 1555 CB ASP A 101 -6.891 -4.031 9.550 1.00 50.41 C ATOM 1556 CG ASP A 101 -7.316 -3.034 10.620 1.00 72.42 C ATOM 1557 OD1 ASP A 101 -7.631 -3.463 11.751 1.00 2.54 O ATOM 1558 OD2 ASP A 101 -7.187 -1.817 10.352 1.00 2.42 O ATOM 0 H ASP A 101 -6.576 -6.026 8.306 1.00 3.20 H new ATOM 0 HA ASP A 101 -8.853 -4.921 9.550 1.00 74.14 H new ATOM 0 HB2 ASP A 101 -6.280 -4.808 10.009 1.00 50.41 H new ATOM 0 HB3 ASP A 101 -6.263 -3.522 8.818 1.00 50.41 H new ATOM 1563 N TYR A 102 -8.008 -3.560 6.656 1.00 61.04 N ATOM 1564 CA TYR A 102 -8.537 -2.787 5.543 1.00 13.30 C ATOM 1565 C TYR A 102 -9.751 -3.442 4.882 1.00 45.34 C ATOM 1566 O TYR A 102 -10.668 -2.724 4.494 1.00 54.55 O ATOM 1567 CB TYR A 102 -7.435 -2.492 4.516 1.00 23.41 C ATOM 1568 CG TYR A 102 -6.820 -1.117 4.693 1.00 5.41 C ATOM 1569 CD1 TYR A 102 -7.656 0.017 4.715 1.00 1.40 C ATOM 1570 CD2 TYR A 102 -5.437 -0.966 4.911 1.00 34.33 C ATOM 1571 CE1 TYR A 102 -7.137 1.284 5.021 1.00 50.51 C ATOM 1572 CE2 TYR A 102 -4.905 0.304 5.197 1.00 14.54 C ATOM 1573 CZ TYR A 102 -5.760 1.427 5.286 1.00 64.25 C ATOM 1574 OH TYR A 102 -5.266 2.638 5.659 1.00 25.12 O ATOM 0 H TYR A 102 -7.078 -3.944 6.489 1.00 61.04 H new ATOM 0 HA TYR A 102 -8.891 -1.843 5.957 1.00 13.30 H new ATOM 0 HB2 TYR A 102 -6.654 -3.248 4.600 1.00 23.41 H new ATOM 0 HB3 TYR A 102 -7.850 -2.573 3.511 1.00 23.41 H new ATOM 0 HD1 TYR A 102 -8.708 -0.090 4.494 1.00 1.40 H new ATOM 0 HD2 TYR A 102 -4.785 -1.825 4.859 1.00 34.33 H new ATOM 0 HE1 TYR A 102 -7.789 2.145 5.053 1.00 50.51 H new ATOM 0 HE2 TYR A 102 -3.842 0.422 5.349 1.00 14.54 H new ATOM 0 HH TYR A 102 -4.803 3.051 4.900 1.00 25.12 H new ATOM 1584 N LEU A 103 -9.785 -4.766 4.727 1.00 22.10 N ATOM 1585 CA LEU A 103 -10.930 -5.485 4.186 1.00 54.14 C ATOM 1586 C LEU A 103 -12.133 -5.414 5.105 1.00 71.33 C ATOM 1587 O LEU A 103 -13.262 -5.453 4.622 1.00 45.14 O ATOM 1588 CB LEU A 103 -10.601 -6.968 4.026 1.00 11.10 C ATOM 1589 CG LEU A 103 -9.756 -7.301 2.790 1.00 41.43 C ATOM 1590 CD1 LEU A 103 -9.252 -8.736 2.936 1.00 43.21 C ATOM 1591 CD2 LEU A 103 -10.565 -7.136 1.502 1.00 4.42 C ATOM 0 H LEU A 103 -9.005 -5.374 4.978 1.00 22.10 H new ATOM 0 HA LEU A 103 -11.158 -5.014 3.230 1.00 54.14 H new ATOM 0 HB2 LEU A 103 -10.071 -7.308 4.916 1.00 11.10 H new ATOM 0 HB3 LEU A 103 -11.533 -7.531 3.976 1.00 11.10 H new ATOM 0 HG LEU A 103 -8.914 -6.612 2.723 1.00 41.43 H new ATOM 0 HD11 LEU A 103 -8.647 -8.999 2.068 1.00 43.21 H new ATOM 0 HD12 LEU A 103 -8.647 -8.819 3.839 1.00 43.21 H new ATOM 0 HD13 LEU A 103 -10.102 -9.415 3.005 1.00 43.21 H new ATOM 0 HD21 LEU A 103 -9.938 -7.379 0.645 1.00 4.42 H new ATOM 0 HD22 LEU A 103 -11.425 -7.805 1.524 1.00 4.42 H new ATOM 0 HD23 LEU A 103 -10.910 -6.105 1.418 1.00 4.42 H new ATOM 1603 N ALA A 104 -11.917 -5.390 6.416 1.00 74.23 N ATOM 1604 CA ALA A 104 -12.988 -5.233 7.381 1.00 50.45 C ATOM 1605 C ALA A 104 -13.624 -3.861 7.181 1.00 4.20 C ATOM 1606 O ALA A 104 -14.828 -3.785 6.951 1.00 54.34 O ATOM 1607 CB ALA A 104 -12.446 -5.432 8.789 1.00 50.53 C ATOM 0 H ALA A 104 -10.991 -5.479 6.835 1.00 74.23 H new ATOM 0 HA ALA A 104 -13.762 -5.987 7.234 1.00 50.45 H new ATOM 0 HB1 ALA A 104 -13.255 -5.313 9.510 1.00 50.53 H new ATOM 0 HB2 ALA A 104 -12.024 -6.433 8.878 1.00 50.53 H new ATOM 0 HB3 ALA A 104 -11.670 -4.693 8.988 1.00 50.53 H new ATOM 1613 N GLU A 105 -12.813 -2.801 7.144 1.00 10.21 N ATOM 1614 CA GLU A 105 -13.254 -1.455 6.796 1.00 2.50 C ATOM 1615 C GLU A 105 -14.030 -1.476 5.468 1.00 74.15 C ATOM 1616 O GLU A 105 -15.183 -1.049 5.378 1.00 72.31 O ATOM 1617 CB GLU A 105 -12.052 -0.518 6.698 1.00 43.35 C ATOM 1618 CG GLU A 105 -11.585 0.025 8.046 1.00 43.14 C ATOM 1619 CD GLU A 105 -12.269 1.332 8.448 1.00 52.41 C ATOM 1620 OE1 GLU A 105 -13.442 1.281 8.879 1.00 61.45 O ATOM 1621 OE2 GLU A 105 -11.612 2.399 8.330 1.00 4.43 O ATOM 0 H GLU A 105 -11.817 -2.858 7.359 1.00 10.21 H new ATOM 0 HA GLU A 105 -13.918 -1.088 7.578 1.00 2.50 H new ATOM 0 HB2 GLU A 105 -11.226 -1.049 6.225 1.00 43.35 H new ATOM 0 HB3 GLU A 105 -12.307 0.319 6.048 1.00 43.35 H new ATOM 0 HG2 GLU A 105 -11.772 -0.725 8.815 1.00 43.14 H new ATOM 0 HG3 GLU A 105 -10.507 0.184 8.011 1.00 43.14 H new ATOM 1628 N LEU A 106 -13.420 -1.991 4.395 1.00 71.05 N ATOM 1629 CA LEU A 106 -14.026 -1.998 3.067 1.00 41.31 C ATOM 1630 C LEU A 106 -15.189 -2.983 2.927 1.00 25.44 C ATOM 1631 O LEU A 106 -15.869 -2.938 1.904 1.00 10.51 O ATOM 1632 CB LEU A 106 -12.974 -2.274 1.965 1.00 51.52 C ATOM 1633 CG LEU A 106 -12.801 -1.152 0.920 1.00 30.04 C ATOM 1634 CD1 LEU A 106 -14.127 -0.634 0.383 1.00 72.25 C ATOM 1635 CD2 LEU A 106 -11.953 -0.007 1.451 1.00 61.34 C ATOM 0 H LEU A 106 -12.492 -2.414 4.427 1.00 71.05 H new ATOM 0 HA LEU A 106 -14.436 -0.997 2.936 1.00 41.31 H new ATOM 0 HB2 LEU A 106 -12.011 -2.454 2.443 1.00 51.52 H new ATOM 0 HB3 LEU A 106 -13.249 -3.192 1.446 1.00 51.52 H new ATOM 0 HG LEU A 106 -12.272 -1.607 0.083 1.00 30.04 H new ATOM 0 HD11 LEU A 106 -13.941 0.153 -0.348 1.00 72.25 H new ATOM 0 HD12 LEU A 106 -14.670 -1.450 -0.093 1.00 72.25 H new ATOM 0 HD13 LEU A 106 -14.721 -0.233 1.205 1.00 72.25 H new ATOM 0 HD21 LEU A 106 -11.857 0.761 0.683 1.00 61.34 H new ATOM 0 HD22 LEU A 106 -12.430 0.420 2.333 1.00 61.34 H new ATOM 0 HD23 LEU A 106 -10.964 -0.380 1.717 1.00 61.34 H new ATOM 1647 N ALA A 107 -15.487 -3.818 3.916 1.00 42.13 N ATOM 1648 CA ALA A 107 -16.743 -4.557 3.983 1.00 51.35 C ATOM 1649 C ALA A 107 -17.787 -3.760 4.778 1.00 74.22 C ATOM 1650 O ALA A 107 -18.953 -3.679 4.386 1.00 63.05 O ATOM 1651 CB ALA A 107 -16.479 -5.928 4.612 1.00 14.44 C ATOM 0 H ALA A 107 -14.860 -4.003 4.699 1.00 42.13 H new ATOM 0 HA ALA A 107 -17.144 -4.705 2.980 1.00 51.35 H new ATOM 0 HB1 ALA A 107 -17.412 -6.489 4.667 1.00 14.44 H new ATOM 0 HB2 ALA A 107 -15.761 -6.476 4.002 1.00 14.44 H new ATOM 0 HB3 ALA A 107 -16.075 -5.796 5.616 1.00 14.44 H new ATOM 1657 N SER A 108 -17.383 -3.161 5.899 1.00 33.41 N ATOM 1658 CA SER A 108 -18.304 -2.696 6.921 1.00 23.30 C ATOM 1659 C SER A 108 -18.709 -1.226 6.752 1.00 42.11 C ATOM 1660 O SER A 108 -19.852 -0.876 7.042 1.00 13.54 O ATOM 1661 CB SER A 108 -17.673 -2.982 8.284 1.00 42.22 C ATOM 1662 OG SER A 108 -18.618 -2.837 9.327 1.00 65.41 O ATOM 0 H SER A 108 -16.402 -2.987 6.119 1.00 33.41 H new ATOM 0 HA SER A 108 -19.245 -3.238 6.828 1.00 23.30 H new ATOM 0 HB2 SER A 108 -17.268 -3.994 8.295 1.00 42.22 H new ATOM 0 HB3 SER A 108 -16.837 -2.302 8.450 1.00 42.22 H new ATOM 0 HG SER A 108 -18.188 -3.027 10.187 1.00 65.41 H new ATOM 1668 N ALA A 109 -17.826 -0.367 6.235 1.00 43.12 N ATOM 1669 CA ALA A 109 -18.116 1.040 5.955 1.00 64.45 C ATOM 1670 C ALA A 109 -19.215 1.233 4.894 1.00 14.22 C ATOM 1671 O ALA A 109 -19.685 2.358 4.687 1.00 22.31 O ATOM 1672 CB ALA A 109 -16.818 1.746 5.531 1.00 53.42 C ATOM 0 H ALA A 109 -16.872 -0.636 5.995 1.00 43.12 H new ATOM 0 HA ALA A 109 -18.505 1.486 6.870 1.00 64.45 H new ATOM 0 HB1 ALA A 109 -17.026 2.795 5.321 1.00 53.42 H new ATOM 0 HB2 ALA A 109 -16.086 1.676 6.336 1.00 53.42 H new ATOM 0 HB3 ALA A 109 -16.420 1.269 4.636 1.00 53.42 H new ATOM 1678 N GLY A 110 -19.646 0.175 4.203 1.00 12.10 N ATOM 1679 CA GLY A 110 -20.585 0.247 3.096 1.00 43.31 C ATOM 1680 C GLY A 110 -19.982 1.005 1.915 1.00 73.34 C ATOM 1681 O GLY A 110 -20.677 1.813 1.304 1.00 71.24 O ATOM 0 H GLY A 110 -19.340 -0.776 4.408 1.00 12.10 H new ATOM 0 HA2 GLY A 110 -20.862 -0.760 2.783 1.00 43.31 H new ATOM 0 HA3 GLY A 110 -21.500 0.742 3.422 1.00 43.31 H new ATOM 1685 N LYS A 111 -18.691 0.820 1.621 1.00 33.13 N ATOM 1686 CA LYS A 111 -18.047 1.251 0.380 1.00 73.22 C ATOM 1687 C LYS A 111 -17.545 -0.017 -0.322 1.00 70.11 C ATOM 1688 O LYS A 111 -17.676 -1.119 0.220 1.00 4.42 O ATOM 1689 CB LYS A 111 -16.882 2.222 0.640 1.00 51.31 C ATOM 1690 CG LYS A 111 -17.136 3.289 1.721 1.00 34.20 C ATOM 1691 CD LYS A 111 -18.183 4.318 1.273 1.00 33.43 C ATOM 1692 CE LYS A 111 -18.593 5.285 2.387 1.00 10.51 C ATOM 1693 NZ LYS A 111 -19.662 4.771 3.274 1.00 30.23 N ATOM 0 H LYS A 111 -18.048 0.352 2.260 1.00 33.13 H new ATOM 0 HA LYS A 111 -18.761 1.794 -0.240 1.00 73.22 H new ATOM 0 HB2 LYS A 111 -16.005 1.641 0.927 1.00 51.31 H new ATOM 0 HB3 LYS A 111 -16.638 2.728 -0.294 1.00 51.31 H new ATOM 0 HG2 LYS A 111 -17.472 2.804 2.638 1.00 34.20 H new ATOM 0 HG3 LYS A 111 -16.202 3.799 1.954 1.00 34.20 H new ATOM 0 HD2 LYS A 111 -17.786 4.888 0.433 1.00 33.43 H new ATOM 0 HD3 LYS A 111 -19.068 3.793 0.912 1.00 33.43 H new ATOM 0 HE2 LYS A 111 -17.716 5.519 2.991 1.00 10.51 H new ATOM 0 HE3 LYS A 111 -18.928 6.219 1.937 1.00 10.51 H new ATOM 0 HZ1 LYS A 111 -19.823 5.445 4.050 1.00 30.23 H new ATOM 0 HZ2 LYS A 111 -20.540 4.654 2.728 1.00 30.23 H new ATOM 0 HZ3 LYS A 111 -19.375 3.852 3.668 1.00 30.23 H new ATOM 1707 N SER A 112 -16.919 0.123 -1.487 1.00 63.35 N ATOM 1708 CA SER A 112 -16.353 -0.996 -2.236 1.00 22.14 C ATOM 1709 C SER A 112 -15.018 -0.634 -2.874 1.00 11.11 C ATOM 1710 O SER A 112 -14.709 0.536 -3.117 1.00 3.20 O ATOM 1711 CB SER A 112 -17.354 -1.453 -3.283 1.00 54.22 C ATOM 1712 OG SER A 112 -18.487 -2.007 -2.641 1.00 24.02 O ATOM 0 H SER A 112 -16.789 1.026 -1.943 1.00 63.35 H new ATOM 0 HA SER A 112 -16.155 -1.814 -1.543 1.00 22.14 H new ATOM 0 HB2 SER A 112 -17.652 -0.612 -3.909 1.00 54.22 H new ATOM 0 HB3 SER A 112 -16.897 -2.193 -3.940 1.00 54.22 H new ATOM 0 HG SER A 112 -18.884 -2.695 -3.215 1.00 24.02 H new ATOM 1718 N ARG A 113 -14.211 -1.663 -3.133 1.00 41.14 N ATOM 1719 CA ARG A 113 -12.891 -1.527 -3.741 1.00 74.12 C ATOM 1720 C ARG A 113 -12.984 -1.066 -5.182 1.00 45.21 C ATOM 1721 O ARG A 113 -12.000 -0.536 -5.687 1.00 73.11 O ATOM 1722 CB ARG A 113 -12.147 -2.875 -3.688 1.00 24.40 C ATOM 1723 CG ARG A 113 -12.158 -3.494 -2.282 1.00 44.21 C ATOM 1724 CD ARG A 113 -10.874 -4.157 -1.779 1.00 5.43 C ATOM 1725 NE ARG A 113 -10.064 -4.810 -2.811 1.00 65.13 N ATOM 1726 CZ ARG A 113 -9.932 -6.119 -3.036 1.00 30.24 C ATOM 1727 NH1 ARG A 113 -10.865 -6.997 -2.679 1.00 32.44 N ATOM 1728 NH2 ARG A 113 -8.816 -6.538 -3.611 1.00 53.53 N ATOM 0 H ARG A 113 -14.462 -2.629 -2.922 1.00 41.14 H new ATOM 0 HA ARG A 113 -12.343 -0.774 -3.174 1.00 74.12 H new ATOM 0 HB2 ARG A 113 -12.607 -3.569 -4.391 1.00 24.40 H new ATOM 0 HB3 ARG A 113 -11.116 -2.731 -4.011 1.00 24.40 H new ATOM 0 HG2 ARG A 113 -12.429 -2.710 -1.574 1.00 44.21 H new ATOM 0 HG3 ARG A 113 -12.953 -4.239 -2.251 1.00 44.21 H new ATOM 0 HD2 ARG A 113 -10.264 -3.401 -1.284 1.00 5.43 H new ATOM 0 HD3 ARG A 113 -11.138 -4.898 -1.024 1.00 5.43 H new ATOM 0 HE ARG A 113 -9.540 -4.192 -3.430 1.00 65.13 H new ATOM 0 HH11 ARG A 113 -11.716 -6.677 -2.217 1.00 32.44 H new ATOM 0 HH12 ARG A 113 -10.729 -7.990 -2.867 1.00 32.44 H new ATOM 0 HH21 ARG A 113 -8.091 -5.867 -3.867 1.00 53.53 H new ATOM 0 HH22 ARG A 113 -8.681 -7.531 -3.798 1.00 53.53 H new ATOM 1742 N ASP A 114 -14.119 -1.262 -5.845 1.00 42.45 N ATOM 1743 CA ASP A 114 -14.282 -0.879 -7.248 1.00 65.31 C ATOM 1744 C ASP A 114 -14.901 0.503 -7.420 1.00 34.24 C ATOM 1745 O ASP A 114 -15.673 0.932 -6.555 1.00 2.32 O ATOM 1746 CB ASP A 114 -15.025 -1.967 -8.037 1.00 62.02 C ATOM 1747 CG ASP A 114 -14.269 -2.391 -9.306 1.00 5.23 C ATOM 1748 OD1 ASP A 114 -13.018 -2.422 -9.291 1.00 4.52 O ATOM 1749 OD2 ASP A 114 -14.941 -2.554 -10.349 1.00 31.24 O ATOM 0 H ASP A 114 -14.948 -1.688 -5.431 1.00 42.45 H new ATOM 0 HA ASP A 114 -13.282 -0.798 -7.674 1.00 65.31 H new ATOM 0 HB2 ASP A 114 -15.174 -2.838 -7.398 1.00 62.02 H new ATOM 0 HB3 ASP A 114 -16.014 -1.601 -8.312 1.00 62.02 H new ATOM 1754 N PRO A 115 -14.587 1.213 -8.520 1.00 72.02 N ATOM 1755 CA PRO A 115 -15.030 2.585 -8.727 1.00 21.20 C ATOM 1756 C PRO A 115 -16.537 2.690 -8.945 1.00 11.14 C ATOM 1757 O PRO A 115 -17.127 3.722 -8.614 1.00 53.51 O ATOM 1758 CB PRO A 115 -14.234 3.101 -9.928 1.00 30.32 C ATOM 1759 CG PRO A 115 -13.764 1.855 -10.675 1.00 53.51 C ATOM 1760 CD PRO A 115 -13.727 0.775 -9.614 1.00 62.43 C ATOM 0 HA PRO A 115 -14.846 3.191 -7.840 1.00 21.20 H new ATOM 0 HB2 PRO A 115 -14.853 3.731 -10.567 1.00 30.32 H new ATOM 0 HB3 PRO A 115 -13.388 3.708 -9.606 1.00 30.32 H new ATOM 0 HG2 PRO A 115 -14.447 1.595 -11.484 1.00 53.51 H new ATOM 0 HG3 PRO A 115 -12.782 2.006 -11.123 1.00 53.51 H new ATOM 0 HD2 PRO A 115 -14.075 -0.175 -10.020 1.00 62.43 H new ATOM 0 HD3 PRO A 115 -12.708 0.617 -9.262 1.00 62.43 H new ATOM 1768 N ASP A 116 -17.182 1.624 -9.416 1.00 10.20 N ATOM 1769 CA ASP A 116 -18.639 1.536 -9.506 1.00 61.45 C ATOM 1770 C ASP A 116 -19.063 0.078 -9.286 1.00 50.24 C ATOM 1771 O ASP A 116 -19.432 -0.648 -10.210 1.00 14.31 O ATOM 1772 CB ASP A 116 -19.118 2.139 -10.838 1.00 73.31 C ATOM 1773 CG ASP A 116 -20.580 2.585 -10.799 1.00 72.05 C ATOM 1774 OD1 ASP A 116 -21.266 2.428 -9.760 1.00 50.41 O ATOM 1775 OD2 ASP A 116 -21.007 3.239 -11.776 1.00 71.44 O ATOM 0 H ASP A 116 -16.703 0.788 -9.750 1.00 10.20 H new ATOM 0 HA ASP A 116 -19.122 2.124 -8.726 1.00 61.45 H new ATOM 0 HB2 ASP A 116 -18.490 2.993 -11.091 1.00 73.31 H new ATOM 0 HB3 ASP A 116 -18.989 1.403 -11.631 1.00 73.31 H new ATOM 1780 N GLU A 117 -18.859 -0.413 -8.062 1.00 72.24 N ATOM 1781 CA GLU A 117 -19.144 -1.795 -7.668 1.00 45.34 C ATOM 1782 C GLU A 117 -20.660 -1.997 -7.490 1.00 63.03 C ATOM 1783 O GLU A 117 -21.385 -1.028 -7.257 1.00 61.02 O ATOM 1784 CB GLU A 117 -18.351 -2.108 -6.385 1.00 44.35 C ATOM 1785 CG GLU A 117 -17.586 -3.439 -6.429 1.00 61.05 C ATOM 1786 CD GLU A 117 -18.344 -4.606 -5.812 1.00 10.12 C ATOM 1787 OE1 GLU A 117 -19.310 -5.090 -6.445 1.00 12.40 O ATOM 1788 OE2 GLU A 117 -17.944 -5.044 -4.709 1.00 33.43 O ATOM 0 H GLU A 117 -18.483 0.151 -7.300 1.00 72.24 H new ATOM 0 HA GLU A 117 -18.829 -2.491 -8.445 1.00 45.34 H new ATOM 0 HB2 GLU A 117 -17.642 -1.300 -6.203 1.00 44.35 H new ATOM 0 HB3 GLU A 117 -19.040 -2.125 -5.540 1.00 44.35 H new ATOM 0 HG2 GLU A 117 -17.352 -3.678 -7.466 1.00 61.05 H new ATOM 0 HG3 GLU A 117 -16.636 -3.319 -5.907 1.00 61.05 H new ATOM 1795 N SER A 118 -21.160 -3.234 -7.542 1.00 21.20 N ATOM 1796 CA SER A 118 -22.593 -3.541 -7.501 1.00 42.11 C ATOM 1797 C SER A 118 -23.092 -3.592 -6.043 1.00 42.45 C ATOM 1798 O SER A 118 -23.768 -4.536 -5.609 1.00 45.52 O ATOM 1799 CB SER A 118 -22.856 -4.830 -8.301 1.00 21.30 C ATOM 1800 OG SER A 118 -24.232 -4.982 -8.605 1.00 63.45 O ATOM 0 H SER A 118 -20.572 -4.064 -7.615 1.00 21.20 H new ATOM 0 HA SER A 118 -23.171 -2.750 -7.978 1.00 42.11 H new ATOM 0 HB2 SER A 118 -22.278 -4.810 -9.225 1.00 21.30 H new ATOM 0 HB3 SER A 118 -22.512 -5.691 -7.728 1.00 21.30 H new ATOM 0 HG SER A 118 -24.365 -5.809 -9.114 1.00 63.45 H new ATOM 1806 N VAL A 119 -22.759 -2.570 -5.251 1.00 70.45 N ATOM 1807 CA VAL A 119 -23.034 -2.508 -3.819 1.00 23.20 C ATOM 1808 C VAL A 119 -23.426 -1.070 -3.453 1.00 12.34 C ATOM 1809 O VAL A 119 -22.776 -0.422 -2.630 1.00 31.23 O ATOM 1810 CB VAL A 119 -21.823 -3.043 -3.011 1.00 3.33 C ATOM 1811 CG1 VAL A 119 -22.252 -3.358 -1.574 1.00 74.32 C ATOM 1812 CG2 VAL A 119 -21.159 -4.306 -3.577 1.00 50.43 C ATOM 0 H VAL A 119 -22.278 -1.742 -5.601 1.00 70.45 H new ATOM 0 HA VAL A 119 -23.873 -3.154 -3.558 1.00 23.20 H new ATOM 0 HB VAL A 119 -21.086 -2.242 -3.067 1.00 3.33 H new ATOM 0 HG11 VAL A 119 -21.396 -3.733 -1.013 1.00 74.32 H new ATOM 0 HG12 VAL A 119 -22.628 -2.452 -1.100 1.00 74.32 H new ATOM 0 HG13 VAL A 119 -23.037 -4.114 -1.586 1.00 74.32 H new ATOM 0 HG21 VAL A 119 -20.325 -4.596 -2.938 1.00 50.43 H new ATOM 0 HG22 VAL A 119 -21.888 -5.116 -3.612 1.00 50.43 H new ATOM 0 HG23 VAL A 119 -20.792 -4.104 -4.584 1.00 50.43 H new ATOM 1822 N VAL A 120 -24.488 -0.542 -4.064 1.00 50.42 N ATOM 1823 CA VAL A 120 -25.028 0.767 -3.700 1.00 22.21 C ATOM 1824 C VAL A 120 -25.914 0.550 -2.472 1.00 4.40 C ATOM 1825 O VAL A 120 -27.132 0.397 -2.571 1.00 23.04 O ATOM 1826 CB VAL A 120 -25.748 1.427 -4.891 1.00 12.21 C ATOM 1827 CG1 VAL A 120 -26.244 2.838 -4.534 1.00 42.14 C ATOM 1828 CG2 VAL A 120 -24.795 1.561 -6.087 1.00 43.51 C ATOM 0 H VAL A 120 -24.994 -1.006 -4.819 1.00 50.42 H new ATOM 0 HA VAL A 120 -24.240 1.475 -3.445 1.00 22.21 H new ATOM 0 HB VAL A 120 -26.596 0.789 -5.141 1.00 12.21 H new ATOM 0 HG11 VAL A 120 -26.747 3.276 -5.396 1.00 42.14 H new ATOM 0 HG12 VAL A 120 -26.941 2.778 -3.698 1.00 42.14 H new ATOM 0 HG13 VAL A 120 -25.395 3.462 -4.254 1.00 42.14 H new ATOM 0 HG21 VAL A 120 -25.320 2.029 -6.920 1.00 43.51 H new ATOM 0 HG22 VAL A 120 -23.941 2.176 -5.804 1.00 43.51 H new ATOM 0 HG23 VAL A 120 -24.447 0.573 -6.387 1.00 43.51 H new ATOM 1838 N LYS A 121 -25.284 0.473 -1.301 1.00 43.25 N ATOM 1839 CA LYS A 121 -25.911 0.230 -0.007 1.00 53.41 C ATOM 1840 C LYS A 121 -25.239 1.139 1.017 1.00 30.12 C ATOM 1841 O LYS A 121 -24.132 1.620 0.770 1.00 12.14 O ATOM 1842 CB LYS A 121 -25.744 -1.261 0.356 1.00 42.23 C ATOM 1843 CG LYS A 121 -26.705 -2.192 -0.410 1.00 73.01 C ATOM 1844 CD LYS A 121 -28.128 -2.179 0.173 1.00 11.44 C ATOM 1845 CE LYS A 121 -28.201 -3.182 1.324 1.00 41.13 C ATOM 1846 NZ LYS A 121 -29.373 -2.999 2.200 1.00 4.33 N ATOM 0 H LYS A 121 -24.273 0.584 -1.228 1.00 43.25 H new ATOM 0 HA LYS A 121 -26.978 0.452 -0.028 1.00 53.41 H new ATOM 0 HB2 LYS A 121 -24.717 -1.564 0.151 1.00 42.23 H new ATOM 0 HB3 LYS A 121 -25.906 -1.386 1.427 1.00 42.23 H new ATOM 0 HG2 LYS A 121 -26.742 -1.889 -1.456 1.00 73.01 H new ATOM 0 HG3 LYS A 121 -26.316 -3.210 -0.386 1.00 73.01 H new ATOM 0 HD2 LYS A 121 -28.381 -1.180 0.527 1.00 11.44 H new ATOM 0 HD3 LYS A 121 -28.854 -2.437 -0.598 1.00 11.44 H new ATOM 0 HE2 LYS A 121 -28.220 -4.191 0.913 1.00 41.13 H new ATOM 0 HE3 LYS A 121 -27.295 -3.099 1.924 1.00 41.13 H new ATOM 0 HZ1 LYS A 121 -29.356 -3.713 2.956 1.00 4.33 H new ATOM 0 HZ2 LYS A 121 -29.347 -2.048 2.621 1.00 4.33 H new ATOM 0 HZ3 LYS A 121 -30.244 -3.107 1.642 1.00 4.33 H new ATOM 1860 N LEU A 122 -25.884 1.390 2.155 1.00 74.44 N ATOM 1861 CA LEU A 122 -25.310 2.075 3.315 1.00 62.13 C ATOM 1862 C LEU A 122 -26.111 1.680 4.554 1.00 50.53 C ATOM 1863 O LEU A 122 -27.322 1.447 4.453 1.00 54.12 O ATOM 1864 CB LEU A 122 -25.265 3.610 3.139 1.00 41.13 C ATOM 1865 CG LEU A 122 -26.597 4.395 3.182 1.00 53.44 C ATOM 1866 CD1 LEU A 122 -26.287 5.899 3.194 1.00 23.12 C ATOM 1867 CD2 LEU A 122 -27.514 4.109 1.984 1.00 31.22 C ATOM 0 H LEU A 122 -26.855 1.113 2.301 1.00 74.44 H new ATOM 0 HA LEU A 122 -24.272 1.763 3.426 1.00 62.13 H new ATOM 0 HB2 LEU A 122 -24.616 4.014 3.916 1.00 41.13 H new ATOM 0 HB3 LEU A 122 -24.786 3.821 2.183 1.00 41.13 H new ATOM 0 HG LEU A 122 -27.121 4.074 4.082 1.00 53.44 H new ATOM 0 HD11 LEU A 122 -27.220 6.462 3.224 1.00 23.12 H new ATOM 0 HD12 LEU A 122 -25.689 6.140 4.073 1.00 23.12 H new ATOM 0 HD13 LEU A 122 -25.732 6.163 2.294 1.00 23.12 H new ATOM 0 HD21 LEU A 122 -28.430 4.693 2.079 1.00 31.22 H new ATOM 0 HD22 LEU A 122 -27.003 4.383 1.061 1.00 31.22 H new ATOM 0 HD23 LEU A 122 -27.761 3.048 1.960 1.00 31.22 H new ATOM 1879 N MET A 123 -25.455 1.551 5.707 1.00 53.31 N ATOM 1880 CA MET A 123 -26.110 1.217 6.975 1.00 5.24 C ATOM 1881 C MET A 123 -25.260 1.597 8.194 1.00 4.31 C ATOM 1882 O MET A 123 -25.811 1.860 9.267 1.00 70.02 O ATOM 1883 CB MET A 123 -26.436 -0.287 7.006 1.00 70.44 C ATOM 1884 CG MET A 123 -27.431 -0.648 8.110 1.00 41.53 C ATOM 1885 SD MET A 123 -28.152 -2.300 7.929 1.00 73.13 S ATOM 1886 CE MET A 123 -29.237 -2.301 9.380 1.00 54.43 C ATOM 0 H MET A 123 -24.446 1.676 5.790 1.00 53.31 H new ATOM 0 HA MET A 123 -27.029 1.801 7.033 1.00 5.24 H new ATOM 0 HB2 MET A 123 -26.844 -0.587 6.041 1.00 70.44 H new ATOM 0 HB3 MET A 123 -25.515 -0.852 7.152 1.00 70.44 H new ATOM 0 HG2 MET A 123 -26.928 -0.584 9.075 1.00 41.53 H new ATOM 0 HG3 MET A 123 -28.233 0.090 8.119 1.00 41.53 H new ATOM 0 HE1 MET A 123 -29.770 -3.250 9.435 1.00 54.43 H new ATOM 0 HE2 MET A 123 -28.639 -2.168 10.282 1.00 54.43 H new ATOM 0 HE3 MET A 123 -29.956 -1.486 9.298 1.00 54.43 H new ATOM 1896 N LEU A 124 -23.935 1.616 8.048 1.00 44.25 N ATOM 1897 CA LEU A 124 -22.990 2.139 9.026 1.00 24.04 C ATOM 1898 C LEU A 124 -22.703 3.567 8.644 1.00 61.43 C ATOM 1899 O LEU A 124 -22.701 4.445 9.527 1.00 1.10 O ATOM 1900 CB LEU A 124 -21.669 1.340 8.998 1.00 4.24 C ATOM 1901 CG LEU A 124 -21.642 0.059 9.844 1.00 42.11 C ATOM 1902 CD1 LEU A 124 -21.703 0.392 11.335 1.00 25.03 C ATOM 1903 CD2 LEU A 124 -22.762 -0.917 9.468 1.00 1.43 C ATOM 0 H LEU A 124 -23.476 1.253 7.212 1.00 44.25 H new ATOM 0 HA LEU A 124 -23.412 2.063 10.028 1.00 24.04 H new ATOM 0 HB2 LEU A 124 -21.450 1.074 7.964 1.00 4.24 H new ATOM 0 HB3 LEU A 124 -20.865 1.993 9.337 1.00 4.24 H new ATOM 0 HG LEU A 124 -20.696 -0.439 9.630 1.00 42.11 H new ATOM 0 HD11 LEU A 124 -21.683 -0.531 11.915 1.00 25.03 H new ATOM 0 HD12 LEU A 124 -20.846 1.009 11.605 1.00 25.03 H new ATOM 0 HD13 LEU A 124 -22.624 0.935 11.549 1.00 25.03 H new ATOM 0 HD21 LEU A 124 -22.697 -1.805 10.096 1.00 1.43 H new ATOM 0 HD22 LEU A 124 -23.729 -0.437 9.618 1.00 1.43 H new ATOM 0 HD23 LEU A 124 -22.658 -1.204 8.422 1.00 1.43 H new TER 1915 LEU A 124