USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 840 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc=-0.00533 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.036) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 17 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.8!) USER MOD Single : A 20 LYS NZ :NH3+ 139:sc= -0.666 (180deg=-2.67!) USER MOD Single : A 28 GLN : amide:sc= 0.551 K(o=0.55,f=-3!) USER MOD Single : A 32 ASN : amide:sc= -0.578 X(o=-0.58,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00224) USER MOD Single : A 36 SER OG : rot -112:sc= 0.574 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 46 HIS : no HD1:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 51 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.036) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc=-0.00695 (180deg=-0.0942) USER MOD Single : A 53 GLN : amide:sc= -0.823 K(o=-0.82,f=-0.11) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -105:sc= 0.287 (180deg=0.148) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.752 X(o=-0.75,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -52:sc= 0.322 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.1 K(o=-1.1,f=0.13) USER MOD Single : A 88 THR OG1 : rot 152:sc= 0.0509 USER MOD Single : A 89 THR OG1 : rot -19:sc= 0.382 USER MOD Single : A 90 TYR OH : rot 156:sc= 0.144 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0818 USER MOD Single : A 105 THR OG1 : rot -160:sc= 0 USER MOD Single : A 107 THR OG1 : rot 80:sc= 0.0988 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 109 ASN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 7.689 -13.947 -5.956 1.00 32.21 N ATOM 38 CA ASP A 3 8.330 -12.633 -6.137 1.00 62.40 C ATOM 39 C ASP A 3 7.763 -11.672 -5.093 1.00 43.32 C ATOM 40 O ASP A 3 6.911 -10.843 -5.396 1.00 41.14 O ATOM 41 CB ASP A 3 8.111 -12.089 -7.580 1.00 3.24 C ATOM 42 CG ASP A 3 8.770 -12.966 -8.659 1.00 33.23 C ATOM 43 OD1 ASP A 3 8.059 -13.706 -9.369 1.00 2.52 O ATOM 44 OD2 ASP A 3 10.016 -12.931 -8.784 1.00 51.41 O ATOM 0 HA ASP A 3 9.407 -12.731 -6.000 1.00 62.40 H new ATOM 0 HB2 ASP A 3 7.041 -12.021 -7.778 1.00 3.24 H new ATOM 0 HB3 ASP A 3 8.513 -11.078 -7.646 1.00 3.24 H new ATOM 49 N ILE A 4 8.224 -11.844 -3.842 1.00 4.31 N ATOM 50 CA ILE A 4 7.645 -11.191 -2.647 1.00 60.02 C ATOM 51 C ILE A 4 8.003 -9.694 -2.573 1.00 60.22 C ATOM 52 O ILE A 4 7.200 -8.892 -2.099 1.00 25.23 O ATOM 53 CB ILE A 4 8.118 -11.900 -1.316 1.00 53.22 C ATOM 54 CG1 ILE A 4 7.818 -13.429 -1.359 1.00 40.03 C ATOM 55 CG2 ILE A 4 7.471 -11.255 -0.062 1.00 2.53 C ATOM 56 CD1 ILE A 4 6.354 -13.783 -1.504 1.00 52.45 C ATOM 0 H ILE A 4 9.018 -12.447 -3.626 1.00 4.31 H new ATOM 0 HA ILE A 4 6.564 -11.287 -2.744 1.00 60.02 H new ATOM 0 HB ILE A 4 9.197 -11.762 -1.243 1.00 53.22 H new ATOM 0 HG12 ILE A 4 8.368 -13.870 -2.190 1.00 40.03 H new ATOM 0 HG13 ILE A 4 8.199 -13.886 -0.446 1.00 40.03 H new ATOM 0 HG21 ILE A 4 7.820 -11.770 0.833 1.00 2.53 H new ATOM 0 HG22 ILE A 4 7.751 -10.203 -0.008 1.00 2.53 H new ATOM 0 HG23 ILE A 4 6.386 -11.339 -0.128 1.00 2.53 H new ATOM 0 HD11 ILE A 4 6.242 -14.867 -1.525 1.00 52.45 H new ATOM 0 HD12 ILE A 4 5.796 -13.377 -0.660 1.00 52.45 H new ATOM 0 HD13 ILE A 4 5.968 -13.361 -2.432 1.00 52.45 H new ATOM 68 N VAL A 5 9.211 -9.344 -3.039 1.00 51.24 N ATOM 69 CA VAL A 5 9.722 -7.960 -3.016 1.00 41.35 C ATOM 70 C VAL A 5 8.924 -7.098 -4.019 1.00 63.34 C ATOM 71 O VAL A 5 8.521 -5.965 -3.710 1.00 50.32 O ATOM 72 CB VAL A 5 11.263 -7.936 -3.340 1.00 61.41 C ATOM 73 CG1 VAL A 5 11.851 -6.516 -3.184 1.00 3.21 C ATOM 74 CG2 VAL A 5 12.024 -8.951 -2.444 1.00 22.32 C ATOM 0 H VAL A 5 9.865 -10.013 -3.444 1.00 51.24 H new ATOM 0 HA VAL A 5 9.590 -7.542 -2.018 1.00 41.35 H new ATOM 0 HB VAL A 5 11.390 -8.231 -4.382 1.00 61.41 H new ATOM 0 HG11 VAL A 5 12.916 -6.536 -3.415 1.00 3.21 H new ATOM 0 HG12 VAL A 5 11.344 -5.835 -3.868 1.00 3.21 H new ATOM 0 HG13 VAL A 5 11.708 -6.174 -2.159 1.00 3.21 H new ATOM 0 HG21 VAL A 5 13.087 -8.921 -2.682 1.00 22.32 H new ATOM 0 HG22 VAL A 5 11.879 -8.691 -1.395 1.00 22.32 H new ATOM 0 HG23 VAL A 5 11.640 -9.955 -2.625 1.00 22.32 H new ATOM 84 N GLU A 6 8.669 -7.691 -5.206 1.00 3.10 N ATOM 85 CA GLU A 6 7.834 -7.081 -6.257 1.00 3.25 C ATOM 86 C GLU A 6 6.351 -7.088 -5.837 1.00 43.42 C ATOM 87 O GLU A 6 5.620 -6.134 -6.119 1.00 4.21 O ATOM 88 CB GLU A 6 8.017 -7.819 -7.611 1.00 65.42 C ATOM 89 CG GLU A 6 7.233 -7.186 -8.780 1.00 4.04 C ATOM 90 CD GLU A 6 7.479 -7.877 -10.130 1.00 15.42 C ATOM 91 OE1 GLU A 6 8.606 -7.768 -10.662 1.00 21.20 O ATOM 92 OE2 GLU A 6 6.547 -8.509 -10.680 1.00 74.33 O ATOM 0 H GLU A 6 9.038 -8.607 -5.460 1.00 3.10 H new ATOM 0 HA GLU A 6 8.155 -6.048 -6.388 1.00 3.25 H new ATOM 0 HB2 GLU A 6 9.077 -7.835 -7.864 1.00 65.42 H new ATOM 0 HB3 GLU A 6 7.701 -8.856 -7.494 1.00 65.42 H new ATOM 0 HG2 GLU A 6 6.168 -7.220 -8.553 1.00 4.04 H new ATOM 0 HG3 GLU A 6 7.508 -6.135 -8.864 1.00 4.04 H new ATOM 99 N ALA A 7 5.933 -8.165 -5.131 1.00 63.42 N ATOM 100 CA ALA A 7 4.557 -8.314 -4.623 1.00 14.42 C ATOM 101 C ALA A 7 4.249 -7.230 -3.588 1.00 23.02 C ATOM 102 O ALA A 7 3.180 -6.648 -3.611 1.00 75.45 O ATOM 103 CB ALA A 7 4.344 -9.710 -4.017 1.00 74.12 C ATOM 0 H ALA A 7 6.541 -8.950 -4.900 1.00 63.42 H new ATOM 0 HA ALA A 7 3.871 -8.200 -5.462 1.00 14.42 H new ATOM 0 HB1 ALA A 7 3.321 -9.795 -3.649 1.00 74.12 H new ATOM 0 HB2 ALA A 7 4.519 -10.468 -4.780 1.00 74.12 H new ATOM 0 HB3 ALA A 7 5.040 -9.858 -3.191 1.00 74.12 H new ATOM 109 N ALA A 8 5.231 -6.943 -2.725 1.00 31.11 N ATOM 110 CA ALA A 8 5.115 -5.936 -1.663 1.00 64.23 C ATOM 111 C ALA A 8 5.067 -4.523 -2.251 1.00 14.04 C ATOM 112 O ALA A 8 4.350 -3.656 -1.744 1.00 54.33 O ATOM 113 CB ALA A 8 6.289 -6.076 -0.694 1.00 45.02 C ATOM 0 H ALA A 8 6.138 -7.408 -2.745 1.00 31.11 H new ATOM 0 HA ALA A 8 4.183 -6.102 -1.122 1.00 64.23 H new ATOM 0 HB1 ALA A 8 6.202 -5.328 0.094 1.00 45.02 H new ATOM 0 HB2 ALA A 8 6.279 -7.072 -0.251 1.00 45.02 H new ATOM 0 HB3 ALA A 8 7.225 -5.928 -1.233 1.00 45.02 H new ATOM 119 N LYS A 9 5.841 -4.320 -3.329 1.00 51.04 N ATOM 120 CA LYS A 9 5.883 -3.050 -4.057 1.00 63.13 C ATOM 121 C LYS A 9 4.508 -2.736 -4.673 1.00 5.21 C ATOM 122 O LYS A 9 3.913 -1.697 -4.372 1.00 45.43 O ATOM 123 CB LYS A 9 6.971 -3.090 -5.160 1.00 62.35 C ATOM 124 CG LYS A 9 7.086 -1.775 -5.959 1.00 21.22 C ATOM 125 CD LYS A 9 8.133 -1.842 -7.087 1.00 11.12 C ATOM 126 CE LYS A 9 8.184 -0.546 -7.913 1.00 23.33 C ATOM 127 NZ LYS A 9 9.144 -0.646 -9.044 1.00 5.00 N ATOM 0 H LYS A 9 6.455 -5.036 -3.718 1.00 51.04 H new ATOM 0 HA LYS A 9 6.136 -2.259 -3.351 1.00 63.13 H new ATOM 0 HB2 LYS A 9 7.934 -3.312 -4.701 1.00 62.35 H new ATOM 0 HB3 LYS A 9 6.750 -3.906 -5.848 1.00 62.35 H new ATOM 0 HG2 LYS A 9 6.114 -1.531 -6.388 1.00 21.22 H new ATOM 0 HG3 LYS A 9 7.346 -0.965 -5.278 1.00 21.22 H new ATOM 0 HD2 LYS A 9 9.116 -2.035 -6.657 1.00 11.12 H new ATOM 0 HD3 LYS A 9 7.903 -2.680 -7.744 1.00 11.12 H new ATOM 0 HE2 LYS A 9 7.190 -0.323 -8.300 1.00 23.33 H new ATOM 0 HE3 LYS A 9 8.469 0.285 -7.267 1.00 23.33 H new ATOM 0 HZ1 LYS A 9 9.148 0.248 -9.576 1.00 5.00 H new ATOM 0 HZ2 LYS A 9 10.098 -0.834 -8.674 1.00 5.00 H new ATOM 0 HZ3 LYS A 9 8.858 -1.422 -9.674 1.00 5.00 H new ATOM 141 N GLN A 10 4.001 -3.673 -5.506 1.00 33.11 N ATOM 142 CA GLN A 10 2.711 -3.516 -6.203 1.00 22.52 C ATOM 143 C GLN A 10 1.539 -3.535 -5.208 1.00 24.23 C ATOM 144 O GLN A 10 0.468 -3.011 -5.511 1.00 52.10 O ATOM 145 CB GLN A 10 2.516 -4.609 -7.289 1.00 64.14 C ATOM 146 CG GLN A 10 2.322 -6.046 -6.756 1.00 23.21 C ATOM 147 CD GLN A 10 2.179 -7.097 -7.861 1.00 50.44 C ATOM 148 OE1 GLN A 10 3.169 -7.670 -8.323 1.00 3.33 O ATOM 149 NE2 GLN A 10 0.951 -7.343 -8.309 1.00 64.10 N ATOM 0 H GLN A 10 4.474 -4.553 -5.711 1.00 33.11 H new ATOM 0 HA GLN A 10 2.726 -2.546 -6.699 1.00 22.52 H new ATOM 0 HB2 GLN A 10 1.649 -4.344 -7.895 1.00 64.14 H new ATOM 0 HB3 GLN A 10 3.383 -4.599 -7.950 1.00 64.14 H new ATOM 0 HG2 GLN A 10 3.171 -6.308 -6.125 1.00 23.21 H new ATOM 0 HG3 GLN A 10 1.435 -6.073 -6.124 1.00 23.21 H new ATOM 0 HE21 GLN A 10 0.153 -6.852 -7.906 1.00 64.10 H new ATOM 0 HE22 GLN A 10 0.807 -8.023 -9.056 1.00 64.10 H new ATOM 158 N ALA A 11 1.766 -4.148 -4.026 1.00 50.12 N ATOM 159 CA ALA A 11 0.790 -4.166 -2.938 1.00 14.40 C ATOM 160 C ALA A 11 0.604 -2.764 -2.379 1.00 23.32 C ATOM 161 O ALA A 11 -0.523 -2.303 -2.263 1.00 15.33 O ATOM 162 CB ALA A 11 1.204 -5.134 -1.822 1.00 4.21 C ATOM 0 H ALA A 11 2.632 -4.641 -3.809 1.00 50.12 H new ATOM 0 HA ALA A 11 -0.157 -4.518 -3.346 1.00 14.40 H new ATOM 0 HB1 ALA A 11 0.454 -5.120 -1.031 1.00 4.21 H new ATOM 0 HB2 ALA A 11 1.285 -6.143 -2.227 1.00 4.21 H new ATOM 0 HB3 ALA A 11 2.167 -4.828 -1.414 1.00 4.21 H new ATOM 168 N ALA A 12 1.733 -2.091 -2.075 1.00 4.24 N ATOM 169 CA ALA A 12 1.739 -0.708 -1.570 1.00 41.12 C ATOM 170 C ALA A 12 1.033 0.239 -2.555 1.00 71.15 C ATOM 171 O ALA A 12 0.163 1.017 -2.160 1.00 12.41 O ATOM 172 CB ALA A 12 3.181 -0.248 -1.312 1.00 62.23 C ATOM 0 H ALA A 12 2.665 -2.494 -2.174 1.00 4.24 H new ATOM 0 HA ALA A 12 1.190 -0.680 -0.629 1.00 41.12 H new ATOM 0 HB1 ALA A 12 3.175 0.776 -0.939 1.00 62.23 H new ATOM 0 HB2 ALA A 12 3.644 -0.901 -0.572 1.00 62.23 H new ATOM 0 HB3 ALA A 12 3.749 -0.292 -2.241 1.00 62.23 H new ATOM 178 N ILE A 13 1.398 0.101 -3.846 1.00 64.43 N ATOM 179 CA ILE A 13 0.843 0.897 -4.957 1.00 41.22 C ATOM 180 C ILE A 13 -0.687 0.669 -5.098 1.00 2.20 C ATOM 181 O ILE A 13 -1.443 1.621 -5.313 1.00 31.24 O ATOM 182 CB ILE A 13 1.590 0.543 -6.307 1.00 72.23 C ATOM 183 CG1 ILE A 13 3.126 0.837 -6.187 1.00 32.21 C ATOM 184 CG2 ILE A 13 0.977 1.294 -7.515 1.00 64.12 C ATOM 185 CD1 ILE A 13 3.957 0.448 -7.407 1.00 30.52 C ATOM 0 H ILE A 13 2.097 -0.577 -4.149 1.00 64.43 H new ATOM 0 HA ILE A 13 1.002 1.953 -4.736 1.00 41.22 H new ATOM 0 HB ILE A 13 1.457 -0.524 -6.485 1.00 72.23 H new ATOM 0 HG12 ILE A 13 3.263 1.902 -5.998 1.00 32.21 H new ATOM 0 HG13 ILE A 13 3.515 0.307 -5.318 1.00 32.21 H new ATOM 0 HG21 ILE A 13 1.517 1.025 -8.423 1.00 64.12 H new ATOM 0 HG22 ILE A 13 -0.072 1.018 -7.621 1.00 64.12 H new ATOM 0 HG23 ILE A 13 1.054 2.369 -7.352 1.00 64.12 H new ATOM 0 HD11 ILE A 13 5.004 0.691 -7.226 1.00 30.52 H new ATOM 0 HD12 ILE A 13 3.859 -0.622 -7.588 1.00 30.52 H new ATOM 0 HD13 ILE A 13 3.602 0.998 -8.279 1.00 30.52 H new ATOM 197 N ALA A 14 -1.125 -0.599 -4.931 1.00 24.11 N ATOM 198 CA ALA A 14 -2.546 -0.995 -5.064 1.00 62.11 C ATOM 199 C ALA A 14 -3.384 -0.549 -3.853 1.00 35.50 C ATOM 200 O ALA A 14 -4.582 -0.290 -3.990 1.00 40.15 O ATOM 201 CB ALA A 14 -2.663 -2.506 -5.269 1.00 12.12 C ATOM 0 H ALA A 14 -0.505 -1.376 -4.701 1.00 24.11 H new ATOM 0 HA ALA A 14 -2.946 -0.486 -5.941 1.00 62.11 H new ATOM 0 HB1 ALA A 14 -3.714 -2.780 -5.365 1.00 12.12 H new ATOM 0 HB2 ALA A 14 -2.129 -2.793 -6.175 1.00 12.12 H new ATOM 0 HB3 ALA A 14 -2.230 -3.024 -4.413 1.00 12.12 H new ATOM 207 N ILE A 15 -2.737 -0.469 -2.674 1.00 42.00 N ATOM 208 CA ILE A 15 -3.345 0.080 -1.448 1.00 3.10 C ATOM 209 C ILE A 15 -3.662 1.574 -1.663 1.00 12.12 C ATOM 210 O ILE A 15 -4.710 2.055 -1.234 1.00 75.21 O ATOM 211 CB ILE A 15 -2.399 -0.152 -0.193 1.00 13.54 C ATOM 212 CG1 ILE A 15 -2.360 -1.676 0.181 1.00 3.43 C ATOM 213 CG2 ILE A 15 -2.799 0.710 1.032 1.00 41.21 C ATOM 214 CD1 ILE A 15 -1.374 -2.054 1.280 1.00 0.54 C ATOM 0 H ILE A 15 -1.776 -0.784 -2.546 1.00 42.00 H new ATOM 0 HA ILE A 15 -4.278 -0.443 -1.238 1.00 3.10 H new ATOM 0 HB ILE A 15 -1.399 0.172 -0.481 1.00 13.54 H new ATOM 0 HG12 ILE A 15 -3.359 -1.982 0.491 1.00 3.43 H new ATOM 0 HG13 ILE A 15 -2.116 -2.247 -0.715 1.00 3.43 H new ATOM 0 HG21 ILE A 15 -2.117 0.508 1.858 1.00 41.21 H new ATOM 0 HG22 ILE A 15 -2.745 1.766 0.767 1.00 41.21 H new ATOM 0 HG23 ILE A 15 -3.817 0.463 1.334 1.00 41.21 H new ATOM 0 HD11 ILE A 15 -1.426 -3.127 1.462 1.00 0.54 H new ATOM 0 HD12 ILE A 15 -0.364 -1.787 0.970 1.00 0.54 H new ATOM 0 HD13 ILE A 15 -1.626 -1.518 2.195 1.00 0.54 H new ATOM 226 N PHE A 16 -2.763 2.274 -2.388 1.00 71.35 N ATOM 227 CA PHE A 16 -2.943 3.697 -2.739 1.00 73.30 C ATOM 228 C PHE A 16 -4.023 3.867 -3.825 1.00 61.54 C ATOM 229 O PHE A 16 -4.771 4.850 -3.805 1.00 54.31 O ATOM 230 CB PHE A 16 -1.602 4.323 -3.204 1.00 64.23 C ATOM 231 CG PHE A 16 -0.465 4.215 -2.190 1.00 34.41 C ATOM 232 CD1 PHE A 16 -0.716 4.282 -0.815 1.00 42.44 C ATOM 233 CD2 PHE A 16 0.855 4.053 -2.612 1.00 61.51 C ATOM 234 CE1 PHE A 16 0.313 4.180 0.097 1.00 52.12 C ATOM 235 CE2 PHE A 16 1.880 3.952 -1.698 1.00 0.22 C ATOM 236 CZ PHE A 16 1.608 4.017 -0.346 1.00 13.01 C ATOM 0 H PHE A 16 -1.897 1.870 -2.744 1.00 71.35 H new ATOM 0 HA PHE A 16 -3.276 4.222 -1.844 1.00 73.30 H new ATOM 0 HB2 PHE A 16 -1.292 3.839 -4.130 1.00 64.23 H new ATOM 0 HB3 PHE A 16 -1.768 5.376 -3.434 1.00 64.23 H new ATOM 0 HD1 PHE A 16 -1.729 4.415 -0.464 1.00 42.44 H new ATOM 0 HD2 PHE A 16 1.076 4.006 -3.668 1.00 61.51 H new ATOM 0 HE1 PHE A 16 0.105 4.228 1.156 1.00 52.12 H new ATOM 0 HE2 PHE A 16 2.897 3.822 -2.039 1.00 0.22 H new ATOM 0 HZ PHE A 16 2.414 3.940 0.368 1.00 13.01 H new ATOM 246 N GLN A 17 -4.095 2.890 -4.763 1.00 23.02 N ATOM 247 CA GLN A 17 -5.148 2.837 -5.806 1.00 23.04 C ATOM 248 C GLN A 17 -6.533 2.709 -5.163 1.00 63.31 C ATOM 249 O GLN A 17 -7.499 3.298 -5.651 1.00 34.31 O ATOM 250 CB GLN A 17 -4.922 1.654 -6.782 1.00 63.44 C ATOM 251 CG GLN A 17 -3.707 1.812 -7.706 1.00 62.02 C ATOM 252 CD GLN A 17 -3.400 0.560 -8.534 1.00 33.05 C ATOM 253 OE1 GLN A 17 -4.286 -0.229 -8.863 1.00 53.12 O ATOM 254 NE2 GLN A 17 -2.146 0.387 -8.897 1.00 74.23 N ATOM 0 H GLN A 17 -3.428 2.120 -4.817 1.00 23.02 H new ATOM 0 HA GLN A 17 -5.093 3.767 -6.372 1.00 23.04 H new ATOM 0 HB2 GLN A 17 -4.804 0.739 -6.202 1.00 63.44 H new ATOM 0 HB3 GLN A 17 -5.815 1.530 -7.395 1.00 63.44 H new ATOM 0 HG2 GLN A 17 -3.881 2.650 -8.381 1.00 62.02 H new ATOM 0 HG3 GLN A 17 -2.833 2.063 -7.104 1.00 62.02 H new ATOM 0 HE21 GLN A 17 -1.434 1.058 -8.609 1.00 74.23 H new ATOM 0 HE22 GLN A 17 -1.886 -0.418 -9.467 1.00 74.23 H new ATOM 263 N LEU A 18 -6.606 1.935 -4.065 1.00 41.42 N ATOM 264 CA LEU A 18 -7.833 1.796 -3.278 1.00 4.42 C ATOM 265 C LEU A 18 -8.101 3.074 -2.467 1.00 53.20 C ATOM 266 O LEU A 18 -9.232 3.527 -2.421 1.00 35.21 O ATOM 267 CB LEU A 18 -7.801 0.539 -2.369 1.00 24.42 C ATOM 268 CG LEU A 18 -7.814 -0.839 -3.106 1.00 12.14 C ATOM 269 CD1 LEU A 18 -7.830 -2.009 -2.106 1.00 64.10 C ATOM 270 CD2 LEU A 18 -8.995 -0.946 -4.101 1.00 43.20 C ATOM 0 H LEU A 18 -5.820 1.394 -3.705 1.00 41.42 H new ATOM 0 HA LEU A 18 -8.660 1.656 -3.974 1.00 4.42 H new ATOM 0 HB2 LEU A 18 -6.907 0.588 -1.747 1.00 24.42 H new ATOM 0 HB3 LEU A 18 -8.659 0.578 -1.698 1.00 24.42 H new ATOM 0 HG LEU A 18 -6.891 -0.902 -3.683 1.00 12.14 H new ATOM 0 HD11 LEU A 18 -7.839 -2.953 -2.651 1.00 64.10 H new ATOM 0 HD12 LEU A 18 -6.942 -1.962 -1.476 1.00 64.10 H new ATOM 0 HD13 LEU A 18 -8.721 -1.942 -1.482 1.00 64.10 H new ATOM 0 HD21 LEU A 18 -8.969 -1.918 -4.593 1.00 43.20 H new ATOM 0 HD22 LEU A 18 -9.936 -0.837 -3.562 1.00 43.20 H new ATOM 0 HD23 LEU A 18 -8.913 -0.158 -4.850 1.00 43.20 H new ATOM 282 N TRP A 19 -7.047 3.679 -1.881 1.00 20.44 N ATOM 283 CA TRP A 19 -7.172 4.926 -1.074 1.00 14.53 C ATOM 284 C TRP A 19 -7.757 6.105 -1.894 1.00 35.22 C ATOM 285 O TRP A 19 -8.389 7.008 -1.329 1.00 15.33 O ATOM 286 CB TRP A 19 -5.805 5.313 -0.436 1.00 21.23 C ATOM 287 CG TRP A 19 -5.391 4.486 0.771 1.00 31.11 C ATOM 288 CD1 TRP A 19 -6.034 3.402 1.326 1.00 71.23 C ATOM 289 CD2 TRP A 19 -4.236 4.719 1.590 1.00 62.43 C ATOM 290 NE1 TRP A 19 -5.336 2.950 2.418 1.00 60.14 N ATOM 291 CE2 TRP A 19 -4.233 3.744 2.602 1.00 12.35 C ATOM 292 CE3 TRP A 19 -3.202 5.665 1.558 1.00 44.23 C ATOM 293 CZ2 TRP A 19 -3.239 3.685 3.574 1.00 11.31 C ATOM 294 CZ3 TRP A 19 -2.214 5.607 2.521 1.00 1.12 C ATOM 295 CH2 TRP A 19 -2.239 4.623 3.518 1.00 11.32 C ATOM 0 H TRP A 19 -6.092 3.327 -1.948 1.00 20.44 H new ATOM 0 HA TRP A 19 -7.881 4.717 -0.273 1.00 14.53 H new ATOM 0 HB2 TRP A 19 -5.030 5.226 -1.198 1.00 21.23 H new ATOM 0 HB3 TRP A 19 -5.845 6.361 -0.140 1.00 21.23 H new ATOM 0 HD1 TRP A 19 -6.953 2.971 0.956 1.00 71.23 H new ATOM 0 HE1 TRP A 19 -5.596 2.153 2.999 1.00 60.14 H new ATOM 0 HE3 TRP A 19 -3.178 6.427 0.793 1.00 44.23 H new ATOM 0 HZ2 TRP A 19 -3.254 2.928 4.345 1.00 11.31 H new ATOM 0 HZ3 TRP A 19 -1.412 6.330 2.505 1.00 1.12 H new ATOM 0 HH2 TRP A 19 -1.454 4.602 4.259 1.00 11.32 H new ATOM 306 N LYS A 20 -7.536 6.087 -3.223 1.00 11.51 N ATOM 307 CA LYS A 20 -8.112 7.085 -4.154 1.00 22.40 C ATOM 308 C LYS A 20 -9.333 6.517 -4.925 1.00 60.04 C ATOM 309 O LYS A 20 -10.061 7.286 -5.571 1.00 33.21 O ATOM 310 CB LYS A 20 -7.028 7.598 -5.132 1.00 50.42 C ATOM 311 CG LYS A 20 -6.420 6.520 -6.061 1.00 32.51 C ATOM 312 CD LYS A 20 -5.236 7.021 -6.935 1.00 22.32 C ATOM 313 CE LYS A 20 -5.654 7.959 -8.095 1.00 71.45 C ATOM 314 NZ LYS A 20 -6.166 9.287 -7.639 1.00 62.51 N ATOM 0 H LYS A 20 -6.956 5.385 -3.683 1.00 11.51 H new ATOM 0 HA LYS A 20 -8.471 7.926 -3.560 1.00 22.40 H new ATOM 0 HB2 LYS A 20 -7.461 8.385 -5.749 1.00 50.42 H new ATOM 0 HB3 LYS A 20 -6.224 8.052 -4.553 1.00 50.42 H new ATOM 0 HG2 LYS A 20 -6.078 5.683 -5.452 1.00 32.51 H new ATOM 0 HG3 LYS A 20 -7.203 6.138 -6.716 1.00 32.51 H new ATOM 0 HD2 LYS A 20 -4.525 7.546 -6.297 1.00 22.32 H new ATOM 0 HD3 LYS A 20 -4.715 6.158 -7.350 1.00 22.32 H new ATOM 0 HE2 LYS A 20 -4.797 8.115 -8.751 1.00 71.45 H new ATOM 0 HE3 LYS A 20 -6.424 7.467 -8.689 1.00 71.45 H new ATOM 0 HZ1 LYS A 20 -5.795 10.034 -8.260 1.00 62.51 H new ATOM 0 HZ2 LYS A 20 -7.205 9.290 -7.677 1.00 62.51 H new ATOM 0 HZ3 LYS A 20 -5.855 9.462 -6.662 1.00 62.51 H new ATOM 328 N ASN A 21 -9.521 5.176 -4.893 1.00 31.31 N ATOM 329 CA ASN A 21 -10.700 4.499 -5.498 1.00 72.34 C ATOM 330 C ASN A 21 -10.894 3.087 -4.873 1.00 4.23 C ATOM 331 O ASN A 21 -10.320 2.112 -5.368 1.00 41.33 O ATOM 332 CB ASN A 21 -10.553 4.383 -7.039 1.00 72.21 C ATOM 333 CG ASN A 21 -11.812 3.835 -7.727 1.00 20.53 C ATOM 334 OD1 ASN A 21 -12.936 4.144 -7.338 1.00 72.50 O ATOM 335 ND2 ASN A 21 -11.630 2.996 -8.724 1.00 62.10 N ATOM 0 H ASN A 21 -8.865 4.533 -4.450 1.00 31.31 H new ATOM 0 HA ASN A 21 -11.579 5.107 -5.285 1.00 72.34 H new ATOM 0 HB2 ASN A 21 -10.320 5.365 -7.450 1.00 72.21 H new ATOM 0 HB3 ASN A 21 -9.709 3.733 -7.269 1.00 72.21 H new ATOM 0 HD21 ASN A 21 -12.434 2.583 -9.196 1.00 62.10 H new ATOM 0 HD22 ASN A 21 -10.685 2.759 -9.025 1.00 62.10 H new ATOM 342 N PRO A 22 -11.686 2.953 -3.750 1.00 52.44 N ATOM 343 CA PRO A 22 -11.898 1.646 -3.039 1.00 32.21 C ATOM 344 C PRO A 22 -12.586 0.583 -3.916 1.00 35.24 C ATOM 345 O PRO A 22 -12.467 -0.618 -3.655 1.00 21.32 O ATOM 346 CB PRO A 22 -12.802 2.042 -1.837 1.00 30.21 C ATOM 347 CG PRO A 22 -13.468 3.308 -2.276 1.00 33.35 C ATOM 348 CD PRO A 22 -12.422 4.051 -3.070 1.00 34.02 C ATOM 0 HA PRO A 22 -10.954 1.184 -2.752 1.00 32.21 H new ATOM 0 HB2 PRO A 22 -13.533 1.264 -1.616 1.00 30.21 H new ATOM 0 HB3 PRO A 22 -12.215 2.195 -0.931 1.00 30.21 H new ATOM 0 HG2 PRO A 22 -14.349 3.099 -2.883 1.00 33.35 H new ATOM 0 HG3 PRO A 22 -13.803 3.894 -1.420 1.00 33.35 H new ATOM 0 HD2 PRO A 22 -12.871 4.741 -3.785 1.00 34.02 H new ATOM 0 HD3 PRO A 22 -11.768 4.639 -2.427 1.00 34.02 H new ATOM 356 N THR A 23 -13.299 1.051 -4.950 1.00 31.54 N ATOM 357 CA THR A 23 -14.063 0.195 -5.865 1.00 34.13 C ATOM 358 C THR A 23 -13.225 -0.218 -7.102 1.00 74.20 C ATOM 359 O THR A 23 -13.777 -0.772 -8.059 1.00 3.10 O ATOM 360 CB THR A 23 -15.369 0.936 -6.304 1.00 64.24 C ATOM 361 OG1 THR A 23 -15.023 2.176 -6.940 1.00 60.10 O ATOM 362 CG2 THR A 23 -16.307 1.228 -5.110 1.00 33.22 C ATOM 0 H THR A 23 -13.361 2.044 -5.176 1.00 31.54 H new ATOM 0 HA THR A 23 -14.326 -0.722 -5.337 1.00 34.13 H new ATOM 0 HB THR A 23 -15.900 0.281 -6.994 1.00 64.24 H new ATOM 0 HG1 THR A 23 -15.840 2.641 -7.217 1.00 60.10 H new ATOM 0 HG21 THR A 23 -17.199 1.743 -5.466 1.00 33.22 H new ATOM 0 HG22 THR A 23 -16.595 0.290 -4.635 1.00 33.22 H new ATOM 0 HG23 THR A 23 -15.789 1.857 -4.386 1.00 33.22 H new ATOM 370 N ASP A 24 -11.894 0.037 -7.067 1.00 60.04 N ATOM 371 CA ASP A 24 -10.975 -0.351 -8.160 1.00 55.24 C ATOM 372 C ASP A 24 -10.788 -1.884 -8.141 1.00 55.05 C ATOM 373 O ASP A 24 -10.141 -2.399 -7.215 1.00 75.00 O ATOM 374 CB ASP A 24 -9.601 0.363 -8.027 1.00 53.43 C ATOM 375 CG ASP A 24 -8.724 0.179 -9.280 1.00 30.43 C ATOM 376 OD1 ASP A 24 -8.095 -0.894 -9.444 1.00 3.42 O ATOM 377 OD2 ASP A 24 -8.711 1.082 -10.140 1.00 34.24 O ATOM 0 H ASP A 24 -11.434 0.511 -6.290 1.00 60.04 H new ATOM 0 HA ASP A 24 -11.411 -0.043 -9.110 1.00 55.24 H new ATOM 0 HB2 ASP A 24 -9.762 1.427 -7.852 1.00 53.43 H new ATOM 0 HB3 ASP A 24 -9.074 -0.027 -7.156 1.00 53.43 H new ATOM 382 N PRO A 25 -11.324 -2.628 -9.166 1.00 21.41 N ATOM 383 CA PRO A 25 -11.343 -4.108 -9.148 1.00 13.10 C ATOM 384 C PRO A 25 -9.932 -4.733 -9.209 1.00 21.44 C ATOM 385 O PRO A 25 -9.666 -5.714 -8.515 1.00 60.12 O ATOM 386 CB PRO A 25 -12.183 -4.467 -10.404 1.00 65.34 C ATOM 387 CG PRO A 25 -12.021 -3.291 -11.323 1.00 30.12 C ATOM 388 CD PRO A 25 -11.941 -2.083 -10.414 1.00 71.34 C ATOM 0 HA PRO A 25 -11.759 -4.501 -8.220 1.00 13.10 H new ATOM 0 HB2 PRO A 25 -11.825 -5.385 -10.870 1.00 65.34 H new ATOM 0 HB3 PRO A 25 -13.230 -4.627 -10.147 1.00 65.34 H new ATOM 0 HG2 PRO A 25 -11.121 -3.387 -11.930 1.00 30.12 H new ATOM 0 HG3 PRO A 25 -12.862 -3.211 -12.011 1.00 30.12 H new ATOM 0 HD2 PRO A 25 -11.332 -1.291 -10.851 1.00 71.34 H new ATOM 0 HD3 PRO A 25 -12.926 -1.658 -10.223 1.00 71.34 H new ATOM 396 N GLU A 26 -9.035 -4.121 -10.014 1.00 45.50 N ATOM 397 CA GLU A 26 -7.696 -4.674 -10.305 1.00 10.42 C ATOM 398 C GLU A 26 -6.771 -4.600 -9.075 1.00 10.42 C ATOM 399 O GLU A 26 -6.023 -5.548 -8.800 1.00 42.45 O ATOM 400 CB GLU A 26 -7.048 -3.933 -11.502 1.00 64.21 C ATOM 401 CG GLU A 26 -7.840 -4.036 -12.821 1.00 71.21 C ATOM 402 CD GLU A 26 -7.101 -3.395 -14.008 1.00 74.52 C ATOM 403 OE1 GLU A 26 -6.149 -4.023 -14.530 1.00 3.03 O ATOM 404 OE2 GLU A 26 -7.435 -2.254 -14.392 1.00 41.14 O ATOM 0 H GLU A 26 -9.220 -3.232 -10.479 1.00 45.50 H new ATOM 0 HA GLU A 26 -7.827 -5.724 -10.565 1.00 10.42 H new ATOM 0 HB2 GLU A 26 -6.933 -2.880 -11.243 1.00 64.21 H new ATOM 0 HB3 GLU A 26 -6.047 -4.333 -11.662 1.00 64.21 H new ATOM 0 HG2 GLU A 26 -8.034 -5.085 -13.043 1.00 71.21 H new ATOM 0 HG3 GLU A 26 -8.809 -3.552 -12.697 1.00 71.21 H new ATOM 411 N ALA A 27 -6.859 -3.472 -8.343 1.00 63.44 N ATOM 412 CA ALA A 27 -6.024 -3.198 -7.160 1.00 63.35 C ATOM 413 C ALA A 27 -6.273 -4.244 -6.063 1.00 15.34 C ATOM 414 O ALA A 27 -5.356 -4.956 -5.654 1.00 31.41 O ATOM 415 CB ALA A 27 -6.302 -1.780 -6.637 1.00 41.43 C ATOM 0 H ALA A 27 -7.516 -2.722 -8.558 1.00 63.44 H new ATOM 0 HA ALA A 27 -4.975 -3.262 -7.450 1.00 63.35 H new ATOM 0 HB1 ALA A 27 -5.681 -1.586 -5.763 1.00 41.43 H new ATOM 0 HB2 ALA A 27 -6.070 -1.053 -7.415 1.00 41.43 H new ATOM 0 HB3 ALA A 27 -7.353 -1.693 -6.361 1.00 41.43 H new ATOM 421 N GLN A 28 -7.546 -4.366 -5.648 1.00 51.22 N ATOM 422 CA GLN A 28 -7.975 -5.314 -4.595 1.00 11.34 C ATOM 423 C GLN A 28 -7.819 -6.787 -5.053 1.00 70.23 C ATOM 424 O GLN A 28 -7.656 -7.673 -4.216 1.00 34.40 O ATOM 425 CB GLN A 28 -9.438 -5.001 -4.168 1.00 24.43 C ATOM 426 CG GLN A 28 -10.449 -4.987 -5.332 1.00 21.25 C ATOM 427 CD GLN A 28 -11.813 -4.399 -4.959 1.00 75.30 C ATOM 428 OE1 GLN A 28 -12.729 -5.115 -4.572 1.00 2.24 O ATOM 429 NE2 GLN A 28 -11.946 -3.086 -5.043 1.00 52.23 N ATOM 0 H GLN A 28 -8.311 -3.811 -6.032 1.00 51.22 H new ATOM 0 HA GLN A 28 -7.325 -5.186 -3.729 1.00 11.34 H new ATOM 0 HB2 GLN A 28 -9.756 -5.742 -3.434 1.00 24.43 H new ATOM 0 HB3 GLN A 28 -9.460 -4.031 -3.672 1.00 24.43 H new ATOM 0 HG2 GLN A 28 -10.030 -4.413 -6.158 1.00 21.25 H new ATOM 0 HG3 GLN A 28 -10.589 -6.006 -5.691 1.00 21.25 H new ATOM 0 HE21 GLN A 28 -11.167 -2.514 -5.369 1.00 52.23 H new ATOM 0 HE22 GLN A 28 -12.828 -2.645 -4.782 1.00 52.23 H new ATOM 438 N GLU A 29 -7.839 -7.025 -6.386 1.00 4.04 N ATOM 439 CA GLU A 29 -7.710 -8.385 -6.961 1.00 32.04 C ATOM 440 C GLU A 29 -6.291 -8.943 -6.760 1.00 55.30 C ATOM 441 O GLU A 29 -6.127 -10.088 -6.318 1.00 43.11 O ATOM 442 CB GLU A 29 -8.092 -8.393 -8.466 1.00 11.33 C ATOM 443 CG GLU A 29 -8.138 -9.798 -9.103 1.00 32.23 C ATOM 444 CD GLU A 29 -8.598 -9.780 -10.568 1.00 55.35 C ATOM 445 OE1 GLU A 29 -7.749 -9.874 -11.480 1.00 25.25 O ATOM 446 OE2 GLU A 29 -9.814 -9.637 -10.811 1.00 24.23 O ATOM 0 H GLU A 29 -7.944 -6.290 -7.085 1.00 4.04 H new ATOM 0 HA GLU A 29 -8.406 -9.034 -6.429 1.00 32.04 H new ATOM 0 HB2 GLU A 29 -9.068 -7.922 -8.583 1.00 11.33 H new ATOM 0 HB3 GLU A 29 -7.375 -7.782 -9.014 1.00 11.33 H new ATOM 0 HG2 GLU A 29 -7.148 -10.249 -9.045 1.00 32.23 H new ATOM 0 HG3 GLU A 29 -8.811 -10.431 -8.525 1.00 32.23 H new ATOM 453 N LEU A 30 -5.265 -8.120 -7.064 1.00 64.24 N ATOM 454 CA LEU A 30 -3.862 -8.536 -6.911 1.00 62.51 C ATOM 455 C LEU A 30 -3.501 -8.661 -5.416 1.00 31.42 C ATOM 456 O LEU A 30 -2.677 -9.503 -5.046 1.00 10.03 O ATOM 457 CB LEU A 30 -2.897 -7.592 -7.705 1.00 53.01 C ATOM 458 CG LEU A 30 -2.747 -6.080 -7.258 1.00 31.04 C ATOM 459 CD1 LEU A 30 -1.690 -5.901 -6.141 1.00 63.54 C ATOM 460 CD2 LEU A 30 -2.416 -5.153 -8.456 1.00 11.13 C ATOM 0 H LEU A 30 -5.385 -7.170 -7.415 1.00 64.24 H new ATOM 0 HA LEU A 30 -3.735 -9.525 -7.351 1.00 62.51 H new ATOM 0 HB2 LEU A 30 -1.904 -8.041 -7.678 1.00 53.01 H new ATOM 0 HB3 LEU A 30 -3.220 -7.595 -8.746 1.00 53.01 H new ATOM 0 HG LEU A 30 -3.717 -5.788 -6.855 1.00 31.04 H new ATOM 0 HD11 LEU A 30 -1.623 -4.848 -5.868 1.00 63.54 H new ATOM 0 HD12 LEU A 30 -1.981 -6.484 -5.267 1.00 63.54 H new ATOM 0 HD13 LEU A 30 -0.720 -6.245 -6.500 1.00 63.54 H new ATOM 0 HD21 LEU A 30 -2.322 -4.125 -8.106 1.00 11.13 H new ATOM 0 HD22 LEU A 30 -1.478 -5.469 -8.912 1.00 11.13 H new ATOM 0 HD23 LEU A 30 -3.216 -5.213 -9.194 1.00 11.13 H new ATOM 472 N LEU A 31 -4.163 -7.829 -4.570 1.00 30.33 N ATOM 473 CA LEU A 31 -4.013 -7.875 -3.096 1.00 33.33 C ATOM 474 C LEU A 31 -4.584 -9.180 -2.509 1.00 55.43 C ATOM 475 O LEU A 31 -4.129 -9.635 -1.470 1.00 13.55 O ATOM 476 CB LEU A 31 -4.687 -6.645 -2.416 1.00 44.43 C ATOM 477 CG LEU A 31 -4.092 -5.248 -2.765 1.00 51.14 C ATOM 478 CD1 LEU A 31 -4.813 -4.117 -2.009 1.00 23.51 C ATOM 479 CD2 LEU A 31 -2.581 -5.201 -2.502 1.00 12.01 C ATOM 0 H LEU A 31 -4.813 -7.111 -4.891 1.00 30.33 H new ATOM 0 HA LEU A 31 -2.944 -7.843 -2.887 1.00 33.33 H new ATOM 0 HB2 LEU A 31 -5.744 -6.643 -2.684 1.00 44.43 H new ATOM 0 HB3 LEU A 31 -4.632 -6.779 -1.336 1.00 44.43 H new ATOM 0 HG LEU A 31 -4.254 -5.090 -3.831 1.00 51.14 H new ATOM 0 HD11 LEU A 31 -4.370 -3.159 -2.279 1.00 23.51 H new ATOM 0 HD12 LEU A 31 -5.870 -4.116 -2.277 1.00 23.51 H new ATOM 0 HD13 LEU A 31 -4.711 -4.274 -0.935 1.00 23.51 H new ATOM 0 HD21 LEU A 31 -2.198 -4.213 -2.756 1.00 12.01 H new ATOM 0 HD22 LEU A 31 -2.388 -5.405 -1.449 1.00 12.01 H new ATOM 0 HD23 LEU A 31 -2.082 -5.952 -3.114 1.00 12.01 H new ATOM 491 N ASN A 32 -5.586 -9.774 -3.182 1.00 62.03 N ATOM 492 CA ASN A 32 -6.195 -11.059 -2.747 1.00 74.31 C ATOM 493 C ASN A 32 -5.211 -12.220 -2.988 1.00 4.31 C ATOM 494 O ASN A 32 -5.258 -13.243 -2.305 1.00 53.43 O ATOM 495 CB ASN A 32 -7.543 -11.280 -3.501 1.00 22.34 C ATOM 496 CG ASN A 32 -8.462 -12.369 -2.904 1.00 33.34 C ATOM 497 OD1 ASN A 32 -8.018 -13.377 -2.358 1.00 41.20 O ATOM 498 ND2 ASN A 32 -9.769 -12.157 -2.996 1.00 31.23 N ATOM 0 H ASN A 32 -5.997 -9.389 -4.032 1.00 62.03 H new ATOM 0 HA ASN A 32 -6.406 -11.023 -1.678 1.00 74.31 H new ATOM 0 HB2 ASN A 32 -8.089 -10.337 -3.519 1.00 22.34 H new ATOM 0 HB3 ASN A 32 -7.323 -11.541 -4.536 1.00 22.34 H new ATOM 0 HD21 ASN A 32 -10.424 -12.837 -2.610 1.00 31.23 H new ATOM 0 HD22 ASN A 32 -10.118 -11.314 -3.453 1.00 31.23 H new ATOM 505 N LYS A 33 -4.302 -12.025 -3.957 1.00 65.43 N ATOM 506 CA LYS A 33 -3.321 -13.040 -4.370 1.00 15.32 C ATOM 507 C LYS A 33 -2.057 -13.001 -3.486 1.00 4.21 C ATOM 508 O LYS A 33 -1.514 -14.047 -3.126 1.00 54.32 O ATOM 509 CB LYS A 33 -2.948 -12.801 -5.856 1.00 13.22 C ATOM 510 CG LYS A 33 -4.147 -12.892 -6.829 1.00 13.14 C ATOM 511 CD LYS A 33 -3.763 -12.581 -8.289 1.00 51.01 C ATOM 512 CE LYS A 33 -2.656 -13.505 -8.841 1.00 70.25 C ATOM 513 NZ LYS A 33 -3.028 -14.949 -8.776 1.00 11.34 N ATOM 0 H LYS A 33 -4.227 -11.152 -4.479 1.00 65.43 H new ATOM 0 HA LYS A 33 -3.767 -14.027 -4.251 1.00 15.32 H new ATOM 0 HB2 LYS A 33 -2.490 -11.816 -5.951 1.00 13.22 H new ATOM 0 HB3 LYS A 33 -2.196 -13.532 -6.153 1.00 13.22 H new ATOM 0 HG2 LYS A 33 -4.575 -13.893 -6.777 1.00 13.14 H new ATOM 0 HG3 LYS A 33 -4.923 -12.197 -6.507 1.00 13.14 H new ATOM 0 HD2 LYS A 33 -4.649 -12.672 -8.917 1.00 51.01 H new ATOM 0 HD3 LYS A 33 -3.429 -11.546 -8.357 1.00 51.01 H new ATOM 0 HE2 LYS A 33 -2.444 -13.234 -9.875 1.00 70.25 H new ATOM 0 HE3 LYS A 33 -1.738 -13.344 -8.275 1.00 70.25 H new ATOM 0 HZ1 LYS A 33 -2.258 -15.524 -9.174 1.00 11.34 H new ATOM 0 HZ2 LYS A 33 -3.188 -15.222 -7.785 1.00 11.34 H new ATOM 0 HZ3 LYS A 33 -3.898 -15.108 -9.323 1.00 11.34 H new ATOM 527 N ILE A 34 -1.587 -11.791 -3.160 1.00 2.31 N ATOM 528 CA ILE A 34 -0.270 -11.581 -2.497 1.00 63.21 C ATOM 529 C ILE A 34 -0.417 -11.264 -0.994 1.00 3.45 C ATOM 530 O ILE A 34 0.554 -11.348 -0.240 1.00 25.22 O ATOM 531 CB ILE A 34 0.522 -10.435 -3.224 1.00 2.23 C ATOM 532 CG1 ILE A 34 -0.239 -9.071 -3.092 1.00 45.21 C ATOM 533 CG2 ILE A 34 0.765 -10.808 -4.714 1.00 62.53 C ATOM 534 CD1 ILE A 34 0.299 -7.943 -3.947 1.00 32.32 C ATOM 0 H ILE A 34 -2.097 -10.927 -3.342 1.00 2.31 H new ATOM 0 HA ILE A 34 0.289 -12.514 -2.575 1.00 63.21 H new ATOM 0 HB ILE A 34 1.494 -10.320 -2.744 1.00 2.23 H new ATOM 0 HG12 ILE A 34 -1.286 -9.232 -3.349 1.00 45.21 H new ATOM 0 HG13 ILE A 34 -0.212 -8.758 -2.048 1.00 45.21 H new ATOM 0 HG21 ILE A 34 1.315 -10.005 -5.205 1.00 62.53 H new ATOM 0 HG22 ILE A 34 1.344 -11.730 -4.769 1.00 62.53 H new ATOM 0 HG23 ILE A 34 -0.193 -10.951 -5.214 1.00 62.53 H new ATOM 0 HD11 ILE A 34 -0.297 -7.045 -3.782 1.00 32.32 H new ATOM 0 HD12 ILE A 34 1.336 -7.745 -3.677 1.00 32.32 H new ATOM 0 HD13 ILE A 34 0.245 -8.226 -4.998 1.00 32.32 H new ATOM 546 N LEU A 35 -1.630 -10.871 -0.583 1.00 60.10 N ATOM 547 CA LEU A 35 -1.986 -10.627 0.833 1.00 52.20 C ATOM 548 C LEU A 35 -3.184 -11.510 1.197 1.00 2.44 C ATOM 549 O LEU A 35 -3.746 -12.194 0.331 1.00 20.42 O ATOM 550 CB LEU A 35 -2.347 -9.125 1.045 1.00 22.14 C ATOM 551 CG LEU A 35 -1.207 -8.084 0.789 1.00 53.12 C ATOM 552 CD1 LEU A 35 -1.750 -6.640 0.736 1.00 4.02 C ATOM 553 CD2 LEU A 35 -0.117 -8.205 1.863 1.00 34.23 C ATOM 0 H LEU A 35 -2.405 -10.710 -1.227 1.00 60.10 H new ATOM 0 HA LEU A 35 -1.138 -10.871 1.473 1.00 52.20 H new ATOM 0 HB2 LEU A 35 -3.184 -8.881 0.391 1.00 22.14 H new ATOM 0 HB3 LEU A 35 -2.697 -9.001 2.070 1.00 22.14 H new ATOM 0 HG LEU A 35 -0.772 -8.309 -0.185 1.00 53.12 H new ATOM 0 HD11 LEU A 35 -0.927 -5.948 0.557 1.00 4.02 H new ATOM 0 HD12 LEU A 35 -2.478 -6.555 -0.070 1.00 4.02 H new ATOM 0 HD13 LEU A 35 -2.229 -6.396 1.684 1.00 4.02 H new ATOM 0 HD21 LEU A 35 0.668 -7.474 1.669 1.00 34.23 H new ATOM 0 HD22 LEU A 35 -0.552 -8.019 2.845 1.00 34.23 H new ATOM 0 HD23 LEU A 35 0.308 -9.208 1.838 1.00 34.23 H new ATOM 565 N SER A 36 -3.568 -11.496 2.480 1.00 5.24 N ATOM 566 CA SER A 36 -4.821 -12.110 2.933 1.00 41.20 C ATOM 567 C SER A 36 -6.039 -11.295 2.394 1.00 13.33 C ATOM 568 O SER A 36 -5.959 -10.061 2.318 1.00 30.21 O ATOM 569 CB SER A 36 -4.836 -12.171 4.477 1.00 15.41 C ATOM 570 OG SER A 36 -3.687 -12.833 4.984 1.00 1.13 O ATOM 0 H SER A 36 -3.024 -11.063 3.226 1.00 5.24 H new ATOM 0 HA SER A 36 -4.894 -13.126 2.544 1.00 41.20 H new ATOM 0 HB2 SER A 36 -4.882 -11.160 4.881 1.00 15.41 H new ATOM 0 HB3 SER A 36 -5.734 -12.690 4.813 1.00 15.41 H new ATOM 0 HG SER A 36 -3.953 -13.684 5.392 1.00 1.13 H new ATOM 576 N PRO A 37 -7.170 -11.969 1.981 1.00 61.22 N ATOM 577 CA PRO A 37 -8.435 -11.270 1.571 1.00 62.14 C ATOM 578 C PRO A 37 -8.986 -10.257 2.624 1.00 55.43 C ATOM 579 O PRO A 37 -9.794 -9.382 2.298 1.00 33.12 O ATOM 580 CB PRO A 37 -9.424 -12.441 1.361 1.00 4.22 C ATOM 581 CG PRO A 37 -8.555 -13.613 0.995 1.00 73.03 C ATOM 582 CD PRO A 37 -7.291 -13.454 1.818 1.00 3.42 C ATOM 0 HA PRO A 37 -8.272 -10.648 0.691 1.00 62.14 H new ATOM 0 HB2 PRO A 37 -9.999 -12.641 2.265 1.00 4.22 H new ATOM 0 HB3 PRO A 37 -10.141 -12.217 0.571 1.00 4.22 H new ATOM 0 HG2 PRO A 37 -9.053 -14.556 1.220 1.00 73.03 H new ATOM 0 HG3 PRO A 37 -8.331 -13.617 -0.072 1.00 73.03 H new ATOM 0 HD2 PRO A 37 -7.372 -13.959 2.781 1.00 3.42 H new ATOM 0 HD3 PRO A 37 -6.424 -13.875 1.309 1.00 3.42 H new ATOM 590 N ASP A 38 -8.547 -10.423 3.887 1.00 60.21 N ATOM 591 CA ASP A 38 -8.891 -9.533 5.018 1.00 4.34 C ATOM 592 C ASP A 38 -8.158 -8.171 4.922 1.00 72.33 C ATOM 593 O ASP A 38 -8.737 -7.118 5.240 1.00 2.21 O ATOM 594 CB ASP A 38 -8.543 -10.254 6.350 1.00 70.11 C ATOM 595 CG ASP A 38 -8.864 -9.424 7.602 1.00 30.03 C ATOM 596 OD1 ASP A 38 -7.936 -9.048 8.351 1.00 55.54 O ATOM 597 OD2 ASP A 38 -10.054 -9.125 7.830 1.00 35.24 O ATOM 0 H ASP A 38 -7.933 -11.192 4.156 1.00 60.21 H new ATOM 0 HA ASP A 38 -9.959 -9.319 4.983 1.00 4.34 H new ATOM 0 HB2 ASP A 38 -9.091 -11.195 6.398 1.00 70.11 H new ATOM 0 HB3 ASP A 38 -7.482 -10.503 6.352 1.00 70.11 H new ATOM 602 N VAL A 39 -6.896 -8.218 4.453 1.00 61.34 N ATOM 603 CA VAL A 39 -6.000 -7.046 4.384 1.00 42.31 C ATOM 604 C VAL A 39 -6.545 -5.977 3.412 1.00 1.21 C ATOM 605 O VAL A 39 -6.505 -4.790 3.711 1.00 24.32 O ATOM 606 CB VAL A 39 -4.537 -7.472 3.970 1.00 53.42 C ATOM 607 CG1 VAL A 39 -3.607 -6.248 3.857 1.00 62.40 C ATOM 608 CG2 VAL A 39 -3.952 -8.506 4.969 1.00 43.32 C ATOM 0 H VAL A 39 -6.466 -9.076 4.109 1.00 61.34 H new ATOM 0 HA VAL A 39 -5.961 -6.608 5.381 1.00 42.31 H new ATOM 0 HB VAL A 39 -4.600 -7.941 2.988 1.00 53.42 H new ATOM 0 HG11 VAL A 39 -2.608 -6.576 3.571 1.00 62.40 H new ATOM 0 HG12 VAL A 39 -3.995 -5.565 3.102 1.00 62.40 H new ATOM 0 HG13 VAL A 39 -3.560 -5.737 4.819 1.00 62.40 H new ATOM 0 HG21 VAL A 39 -2.944 -8.781 4.659 1.00 43.32 H new ATOM 0 HG22 VAL A 39 -3.918 -8.069 5.967 1.00 43.32 H new ATOM 0 HG23 VAL A 39 -4.583 -9.395 4.983 1.00 43.32 H new ATOM 618 N LEU A 40 -7.072 -6.410 2.259 1.00 13.35 N ATOM 619 CA LEU A 40 -7.647 -5.485 1.251 1.00 4.14 C ATOM 620 C LEU A 40 -9.022 -4.946 1.702 1.00 43.51 C ATOM 621 O LEU A 40 -9.427 -3.838 1.324 1.00 25.33 O ATOM 622 CB LEU A 40 -7.745 -6.206 -0.122 1.00 42.35 C ATOM 623 CG LEU A 40 -8.658 -7.496 -0.183 1.00 43.32 C ATOM 624 CD1 LEU A 40 -10.119 -7.186 -0.578 1.00 22.33 C ATOM 625 CD2 LEU A 40 -8.070 -8.568 -1.099 1.00 33.55 C ATOM 0 H LEU A 40 -7.116 -7.394 1.993 1.00 13.35 H new ATOM 0 HA LEU A 40 -6.987 -4.624 1.149 1.00 4.14 H new ATOM 0 HB2 LEU A 40 -8.117 -5.491 -0.856 1.00 42.35 H new ATOM 0 HB3 LEU A 40 -6.738 -6.487 -0.432 1.00 42.35 H new ATOM 0 HG LEU A 40 -8.678 -7.888 0.834 1.00 43.32 H new ATOM 0 HD11 LEU A 40 -10.694 -8.112 -0.602 1.00 22.33 H new ATOM 0 HD12 LEU A 40 -10.557 -6.506 0.153 1.00 22.33 H new ATOM 0 HD13 LEU A 40 -10.139 -6.721 -1.564 1.00 22.33 H new ATOM 0 HD21 LEU A 40 -8.728 -9.437 -1.112 1.00 33.55 H new ATOM 0 HD22 LEU A 40 -7.974 -8.170 -2.109 1.00 33.55 H new ATOM 0 HD23 LEU A 40 -7.088 -8.863 -0.730 1.00 33.55 H new ATOM 637 N ASP A 41 -9.712 -5.766 2.519 1.00 22.34 N ATOM 638 CA ASP A 41 -11.106 -5.533 2.946 1.00 51.21 C ATOM 639 C ASP A 41 -11.193 -4.376 3.957 1.00 43.13 C ATOM 640 O ASP A 41 -12.212 -3.696 4.032 1.00 41.51 O ATOM 641 CB ASP A 41 -11.704 -6.852 3.524 1.00 24.30 C ATOM 642 CG ASP A 41 -13.209 -6.762 3.842 1.00 53.20 C ATOM 643 OD1 ASP A 41 -13.608 -6.925 5.018 1.00 53.13 O ATOM 644 OD2 ASP A 41 -14.000 -6.512 2.909 1.00 50.41 O ATOM 0 H ASP A 41 -9.311 -6.620 2.906 1.00 22.34 H new ATOM 0 HA ASP A 41 -11.698 -5.237 2.080 1.00 51.21 H new ATOM 0 HB2 ASP A 41 -11.540 -7.659 2.809 1.00 24.30 H new ATOM 0 HB3 ASP A 41 -11.165 -7.117 4.433 1.00 24.30 H new ATOM 649 N GLN A 42 -10.106 -4.157 4.717 1.00 52.11 N ATOM 650 CA GLN A 42 -9.995 -3.009 5.642 1.00 74.41 C ATOM 651 C GLN A 42 -9.501 -1.746 4.903 1.00 30.32 C ATOM 652 O GLN A 42 -9.879 -0.626 5.260 1.00 14.15 O ATOM 653 CB GLN A 42 -9.041 -3.353 6.816 1.00 43.11 C ATOM 654 CG GLN A 42 -7.590 -3.660 6.394 1.00 71.15 C ATOM 655 CD GLN A 42 -6.653 -4.020 7.539 1.00 13.31 C ATOM 656 OE1 GLN A 42 -7.057 -4.593 8.552 1.00 60.51 O ATOM 657 NE2 GLN A 42 -5.382 -3.701 7.375 1.00 71.21 N ATOM 0 H GLN A 42 -9.285 -4.763 4.710 1.00 52.11 H new ATOM 0 HA GLN A 42 -10.987 -2.801 6.043 1.00 74.41 H new ATOM 0 HB2 GLN A 42 -9.033 -2.518 7.517 1.00 43.11 H new ATOM 0 HB3 GLN A 42 -9.440 -4.215 7.351 1.00 43.11 H new ATOM 0 HG2 GLN A 42 -7.601 -4.483 5.680 1.00 71.15 H new ATOM 0 HG3 GLN A 42 -7.187 -2.792 5.873 1.00 71.15 H new ATOM 0 HE21 GLN A 42 -5.081 -3.227 6.524 1.00 71.21 H new ATOM 0 HE22 GLN A 42 -4.701 -3.929 8.100 1.00 71.21 H new ATOM 666 N VAL A 43 -8.643 -1.951 3.873 1.00 54.11 N ATOM 667 CA VAL A 43 -8.064 -0.857 3.070 1.00 54.22 C ATOM 668 C VAL A 43 -9.163 -0.106 2.299 1.00 23.05 C ATOM 669 O VAL A 43 -9.142 1.125 2.252 1.00 2.15 O ATOM 670 CB VAL A 43 -6.941 -1.388 2.085 1.00 2.20 C ATOM 671 CG1 VAL A 43 -6.505 -0.317 1.053 1.00 72.22 C ATOM 672 CG2 VAL A 43 -5.705 -1.891 2.874 1.00 61.34 C ATOM 0 H VAL A 43 -8.337 -2.879 3.580 1.00 54.11 H new ATOM 0 HA VAL A 43 -7.590 -0.157 3.758 1.00 54.22 H new ATOM 0 HB VAL A 43 -7.380 -2.220 1.534 1.00 2.20 H new ATOM 0 HG11 VAL A 43 -5.735 -0.731 0.402 1.00 72.22 H new ATOM 0 HG12 VAL A 43 -7.365 -0.019 0.453 1.00 72.22 H new ATOM 0 HG13 VAL A 43 -6.109 0.553 1.577 1.00 72.22 H new ATOM 0 HG21 VAL A 43 -4.949 -2.250 2.176 1.00 61.34 H new ATOM 0 HG22 VAL A 43 -5.293 -1.073 3.466 1.00 61.34 H new ATOM 0 HG23 VAL A 43 -6.002 -2.704 3.536 1.00 61.34 H new ATOM 682 N ARG A 44 -10.147 -0.860 1.754 1.00 35.31 N ATOM 683 CA ARG A 44 -11.260 -0.278 0.970 1.00 4.51 C ATOM 684 C ARG A 44 -12.199 0.581 1.863 1.00 22.34 C ATOM 685 O ARG A 44 -12.874 1.476 1.364 1.00 32.30 O ATOM 686 CB ARG A 44 -12.088 -1.372 0.237 1.00 23.32 C ATOM 687 CG ARG A 44 -12.823 -2.359 1.168 1.00 32.24 C ATOM 688 CD ARG A 44 -13.866 -3.218 0.436 1.00 74.53 C ATOM 689 NE ARG A 44 -13.306 -3.959 -0.715 1.00 51.13 N ATOM 690 CZ ARG A 44 -13.252 -5.298 -0.832 1.00 13.34 C ATOM 691 NH1 ARG A 44 -13.724 -6.097 0.119 1.00 33.43 N ATOM 692 NH2 ARG A 44 -12.742 -5.831 -1.918 1.00 40.25 N ATOM 0 H ARG A 44 -10.192 -1.875 1.844 1.00 35.31 H new ATOM 0 HA ARG A 44 -10.804 0.367 0.219 1.00 4.51 H new ATOM 0 HB2 ARG A 44 -12.822 -0.884 -0.404 1.00 23.32 H new ATOM 0 HB3 ARG A 44 -11.421 -1.937 -0.415 1.00 23.32 H new ATOM 0 HG2 ARG A 44 -12.092 -3.013 1.643 1.00 32.24 H new ATOM 0 HG3 ARG A 44 -13.316 -1.800 1.964 1.00 32.24 H new ATOM 0 HD2 ARG A 44 -14.301 -3.928 1.140 1.00 74.53 H new ATOM 0 HD3 ARG A 44 -14.676 -2.577 0.088 1.00 74.53 H new ATOM 0 HE ARG A 44 -12.929 -3.408 -1.486 1.00 51.13 H new ATOM 0 HH11 ARG A 44 -14.139 -5.698 0.961 1.00 33.43 H new ATOM 0 HH12 ARG A 44 -13.672 -7.109 0.007 1.00 33.43 H new ATOM 0 HH21 ARG A 44 -12.391 -5.231 -2.664 1.00 40.25 H new ATOM 0 HH22 ARG A 44 -12.697 -6.845 -2.016 1.00 40.25 H new ATOM 706 N GLU A 45 -12.231 0.289 3.180 1.00 53.10 N ATOM 707 CA GLU A 45 -13.060 1.026 4.160 1.00 72.52 C ATOM 708 C GLU A 45 -12.379 2.354 4.543 1.00 5.23 C ATOM 709 O GLU A 45 -13.000 3.423 4.503 1.00 1.32 O ATOM 710 CB GLU A 45 -13.298 0.149 5.413 1.00 22.04 C ATOM 711 CG GLU A 45 -13.999 -1.192 5.110 1.00 73.34 C ATOM 712 CD GLU A 45 -14.159 -2.072 6.357 1.00 25.50 C ATOM 713 OE1 GLU A 45 -15.306 -2.333 6.793 1.00 55.11 O ATOM 714 OE2 GLU A 45 -13.131 -2.467 6.934 1.00 62.21 O ATOM 0 H GLU A 45 -11.683 -0.464 3.595 1.00 53.10 H new ATOM 0 HA GLU A 45 -14.025 1.257 3.709 1.00 72.52 H new ATOM 0 HB2 GLU A 45 -12.340 -0.053 5.891 1.00 22.04 H new ATOM 0 HB3 GLU A 45 -13.900 0.709 6.128 1.00 22.04 H new ATOM 0 HG2 GLU A 45 -14.981 -0.995 4.681 1.00 73.34 H new ATOM 0 HG3 GLU A 45 -13.426 -1.735 4.358 1.00 73.34 H new ATOM 721 N HIS A 46 -11.074 2.251 4.872 1.00 5.11 N ATOM 722 CA HIS A 46 -10.199 3.401 5.211 1.00 23.11 C ATOM 723 C HIS A 46 -10.061 4.366 4.009 1.00 50.13 C ATOM 724 O HIS A 46 -9.863 5.577 4.171 1.00 42.30 O ATOM 725 CB HIS A 46 -8.816 2.841 5.643 1.00 45.23 C ATOM 726 CG HIS A 46 -7.815 3.852 6.139 1.00 32.41 C ATOM 727 ND1 HIS A 46 -6.459 3.679 5.988 1.00 4.51 N ATOM 728 CD2 HIS A 46 -7.966 4.996 6.848 1.00 33.21 C ATOM 729 CE1 HIS A 46 -5.824 4.659 6.580 1.00 71.35 C ATOM 730 NE2 HIS A 46 -6.715 5.473 7.110 1.00 51.04 N ATOM 0 H HIS A 46 -10.588 1.355 4.911 1.00 5.11 H new ATOM 0 HA HIS A 46 -10.637 3.976 6.027 1.00 23.11 H new ATOM 0 HB2 HIS A 46 -8.976 2.103 6.429 1.00 45.23 H new ATOM 0 HB3 HIS A 46 -8.379 2.314 4.795 1.00 45.23 H new ATOM 0 HD2 HIS A 46 -8.901 5.446 7.149 1.00 33.21 H new ATOM 0 HE1 HIS A 46 -4.752 4.780 6.626 1.00 71.35 H new ATOM 0 HE2 HIS A 46 -6.503 6.323 7.632 1.00 51.04 H new ATOM 739 N ALA A 47 -10.197 3.781 2.816 1.00 35.32 N ATOM 740 CA ALA A 47 -10.118 4.473 1.533 1.00 73.52 C ATOM 741 C ALA A 47 -11.252 5.483 1.337 1.00 75.40 C ATOM 742 O ALA A 47 -11.037 6.529 0.735 1.00 40.13 O ATOM 743 CB ALA A 47 -10.172 3.437 0.424 1.00 51.31 C ATOM 0 H ALA A 47 -10.371 2.781 2.717 1.00 35.32 H new ATOM 0 HA ALA A 47 -9.183 5.032 1.510 1.00 73.52 H new ATOM 0 HB1 ALA A 47 -10.114 3.936 -0.543 1.00 51.31 H new ATOM 0 HB2 ALA A 47 -9.333 2.749 0.528 1.00 51.31 H new ATOM 0 HB3 ALA A 47 -11.107 2.882 0.490 1.00 51.31 H new ATOM 749 N ARG A 48 -12.449 5.145 1.854 1.00 32.14 N ATOM 750 CA ARG A 48 -13.684 5.945 1.661 1.00 70.30 C ATOM 751 C ARG A 48 -13.576 7.321 2.342 1.00 75.04 C ATOM 752 O ARG A 48 -14.210 8.285 1.909 1.00 50.24 O ATOM 753 CB ARG A 48 -14.905 5.171 2.218 1.00 13.24 C ATOM 754 CG ARG A 48 -15.075 3.771 1.598 1.00 73.12 C ATOM 755 CD ARG A 48 -16.092 2.900 2.344 1.00 52.23 C ATOM 756 NE ARG A 48 -16.042 1.501 1.876 1.00 15.13 N ATOM 757 CZ ARG A 48 -16.613 0.462 2.496 1.00 42.11 C ATOM 758 NH1 ARG A 48 -17.299 0.630 3.626 1.00 60.11 N ATOM 759 NH2 ARG A 48 -16.486 -0.752 1.985 1.00 13.14 N ATOM 0 H ARG A 48 -12.592 4.308 2.419 1.00 32.14 H new ATOM 0 HA ARG A 48 -13.815 6.111 0.592 1.00 70.30 H new ATOM 0 HB2 ARG A 48 -14.801 5.072 3.299 1.00 13.24 H new ATOM 0 HB3 ARG A 48 -15.809 5.753 2.037 1.00 13.24 H new ATOM 0 HG2 ARG A 48 -15.389 3.876 0.560 1.00 73.12 H new ATOM 0 HG3 ARG A 48 -14.110 3.265 1.589 1.00 73.12 H new ATOM 0 HD2 ARG A 48 -15.889 2.936 3.414 1.00 52.23 H new ATOM 0 HD3 ARG A 48 -17.095 3.300 2.196 1.00 52.23 H new ATOM 0 HE ARG A 48 -15.533 1.312 1.013 1.00 15.13 H new ATOM 0 HH11 ARG A 48 -17.395 1.561 4.031 1.00 60.11 H new ATOM 0 HH12 ARG A 48 -17.728 -0.173 4.086 1.00 60.11 H new ATOM 0 HH21 ARG A 48 -15.956 -0.890 1.125 1.00 13.14 H new ATOM 0 HH22 ARG A 48 -16.918 -1.549 2.452 1.00 13.14 H new ATOM 773 N GLU A 49 -12.757 7.380 3.406 1.00 61.11 N ATOM 774 CA GLU A 49 -12.510 8.606 4.177 1.00 41.13 C ATOM 775 C GLU A 49 -11.619 9.562 3.368 1.00 34.13 C ATOM 776 O GLU A 49 -11.944 10.738 3.208 1.00 24.10 O ATOM 777 CB GLU A 49 -11.848 8.245 5.529 1.00 72.44 C ATOM 778 CG GLU A 49 -12.673 7.255 6.377 1.00 65.50 C ATOM 779 CD GLU A 49 -11.974 6.868 7.689 1.00 71.40 C ATOM 780 OE1 GLU A 49 -11.179 5.906 7.690 1.00 55.54 O ATOM 781 OE2 GLU A 49 -12.203 7.542 8.719 1.00 70.24 O ATOM 0 H GLU A 49 -12.245 6.570 3.756 1.00 61.11 H new ATOM 0 HA GLU A 49 -13.456 9.109 4.377 1.00 41.13 H new ATOM 0 HB2 GLU A 49 -10.864 7.815 5.339 1.00 72.44 H new ATOM 0 HB3 GLU A 49 -11.691 9.159 6.103 1.00 72.44 H new ATOM 0 HG2 GLU A 49 -13.642 7.699 6.604 1.00 65.50 H new ATOM 0 HG3 GLU A 49 -12.864 6.355 5.793 1.00 65.50 H new ATOM 788 N LEU A 50 -10.510 9.014 2.826 1.00 32.21 N ATOM 789 CA LEU A 50 -9.530 9.770 2.009 1.00 24.11 C ATOM 790 C LEU A 50 -10.151 10.197 0.661 1.00 43.13 C ATOM 791 O LEU A 50 -9.803 11.247 0.105 1.00 61.43 O ATOM 792 CB LEU A 50 -8.254 8.914 1.781 1.00 62.24 C ATOM 793 CG LEU A 50 -7.594 8.325 3.070 1.00 72.02 C ATOM 794 CD1 LEU A 50 -6.326 7.530 2.729 1.00 2.11 C ATOM 795 CD2 LEU A 50 -7.297 9.419 4.120 1.00 24.14 C ATOM 0 H LEU A 50 -10.266 8.030 2.942 1.00 32.21 H new ATOM 0 HA LEU A 50 -9.252 10.675 2.550 1.00 24.11 H new ATOM 0 HB2 LEU A 50 -8.506 8.089 1.115 1.00 62.24 H new ATOM 0 HB3 LEU A 50 -7.515 9.527 1.264 1.00 62.24 H new ATOM 0 HG LEU A 50 -8.315 7.639 3.514 1.00 72.02 H new ATOM 0 HD11 LEU A 50 -5.889 7.132 3.645 1.00 2.11 H new ATOM 0 HD12 LEU A 50 -6.581 6.707 2.062 1.00 2.11 H new ATOM 0 HD13 LEU A 50 -5.607 8.185 2.238 1.00 2.11 H new ATOM 0 HD21 LEU A 50 -6.839 8.965 4.999 1.00 24.14 H new ATOM 0 HD22 LEU A 50 -6.615 10.156 3.695 1.00 24.14 H new ATOM 0 HD23 LEU A 50 -8.227 9.909 4.408 1.00 24.14 H new ATOM 807 N GLN A 51 -11.093 9.360 0.185 1.00 2.32 N ATOM 808 CA GLN A 51 -11.905 9.599 -1.019 1.00 75.34 C ATOM 809 C GLN A 51 -12.842 10.799 -0.783 1.00 13.11 C ATOM 810 O GLN A 51 -12.923 11.710 -1.608 1.00 64.11 O ATOM 811 CB GLN A 51 -12.752 8.328 -1.331 1.00 22.00 C ATOM 812 CG GLN A 51 -13.645 8.428 -2.586 1.00 23.41 C ATOM 813 CD GLN A 51 -12.850 8.366 -3.888 1.00 41.12 C ATOM 814 OE1 GLN A 51 -12.368 9.376 -4.393 1.00 2.53 O ATOM 815 NE2 GLN A 51 -12.743 7.183 -4.459 1.00 61.05 N ATOM 0 H GLN A 51 -11.314 8.475 0.642 1.00 2.32 H new ATOM 0 HA GLN A 51 -11.249 9.816 -1.862 1.00 75.34 H new ATOM 0 HB2 GLN A 51 -12.077 7.481 -1.451 1.00 22.00 H new ATOM 0 HB3 GLN A 51 -13.385 8.112 -0.470 1.00 22.00 H new ATOM 0 HG2 GLN A 51 -14.374 7.618 -2.572 1.00 23.41 H new ATOM 0 HG3 GLN A 51 -14.206 9.362 -2.553 1.00 23.41 H new ATOM 0 HE21 GLN A 51 -13.155 6.363 -4.014 1.00 61.05 H new ATOM 0 HE22 GLN A 51 -12.249 7.088 -5.346 1.00 61.05 H new ATOM 824 N LYS A 52 -13.516 10.780 0.380 1.00 4.03 N ATOM 825 CA LYS A 52 -14.486 11.814 0.786 1.00 24.41 C ATOM 826 C LYS A 52 -13.783 13.174 1.000 1.00 4.22 C ATOM 827 O LYS A 52 -14.367 14.236 0.765 1.00 54.21 O ATOM 828 CB LYS A 52 -15.214 11.349 2.076 1.00 32.03 C ATOM 829 CG LYS A 52 -16.435 12.205 2.491 1.00 0.15 C ATOM 830 CD LYS A 52 -17.146 11.657 3.751 1.00 53.33 C ATOM 831 CE LYS A 52 -16.249 11.666 5.002 1.00 22.01 C ATOM 832 NZ LYS A 52 -15.783 13.038 5.324 1.00 65.41 N ATOM 0 H LYS A 52 -13.402 10.039 1.072 1.00 4.03 H new ATOM 0 HA LYS A 52 -15.221 11.952 -0.007 1.00 24.41 H new ATOM 0 HB2 LYS A 52 -15.543 10.319 1.937 1.00 32.03 H new ATOM 0 HB3 LYS A 52 -14.497 11.346 2.897 1.00 32.03 H new ATOM 0 HG2 LYS A 52 -16.110 13.228 2.678 1.00 0.15 H new ATOM 0 HG3 LYS A 52 -17.145 12.242 1.665 1.00 0.15 H new ATOM 0 HD2 LYS A 52 -18.037 12.253 3.946 1.00 53.33 H new ATOM 0 HD3 LYS A 52 -17.480 10.638 3.558 1.00 53.33 H new ATOM 0 HE2 LYS A 52 -16.800 11.259 5.850 1.00 22.01 H new ATOM 0 HE3 LYS A 52 -15.389 11.017 4.840 1.00 22.01 H new ATOM 0 HZ1 LYS A 52 -15.311 13.036 6.251 1.00 65.41 H new ATOM 0 HZ2 LYS A 52 -15.114 13.357 4.595 1.00 65.41 H new ATOM 0 HZ3 LYS A 52 -16.598 13.684 5.352 1.00 65.41 H new ATOM 846 N GLN A 53 -12.512 13.117 1.441 1.00 51.40 N ATOM 847 CA GLN A 53 -11.651 14.306 1.603 1.00 51.00 C ATOM 848 C GLN A 53 -11.057 14.744 0.247 1.00 15.00 C ATOM 849 O GLN A 53 -10.711 15.912 0.074 1.00 13.21 O ATOM 850 CB GLN A 53 -10.515 14.009 2.612 1.00 54.45 C ATOM 851 CG GLN A 53 -10.992 13.663 4.032 1.00 4.13 C ATOM 852 CD GLN A 53 -9.846 13.244 4.946 1.00 10.31 C ATOM 853 OE1 GLN A 53 -9.243 14.069 5.631 1.00 2.12 O ATOM 854 NE2 GLN A 53 -9.506 11.962 4.928 1.00 62.22 N ATOM 0 H GLN A 53 -12.051 12.243 1.696 1.00 51.40 H new ATOM 0 HA GLN A 53 -12.263 15.122 1.988 1.00 51.00 H new ATOM 0 HB2 GLN A 53 -9.917 13.180 2.232 1.00 54.45 H new ATOM 0 HB3 GLN A 53 -9.858 14.877 2.665 1.00 54.45 H new ATOM 0 HG2 GLN A 53 -11.499 14.527 4.462 1.00 4.13 H new ATOM 0 HG3 GLN A 53 -11.724 12.857 3.980 1.00 4.13 H new ATOM 0 HE21 GLN A 53 -10.027 11.304 4.349 1.00 62.22 H new ATOM 0 HE22 GLN A 53 -8.723 11.634 5.494 1.00 62.22 H new ATOM 863 N GLY A 54 -10.932 13.786 -0.694 1.00 10.01 N ATOM 864 CA GLY A 54 -10.380 14.050 -2.026 1.00 32.51 C ATOM 865 C GLY A 54 -8.890 14.354 -2.007 1.00 62.31 C ATOM 866 O GLY A 54 -8.420 15.238 -2.726 1.00 45.44 O ATOM 0 H GLY A 54 -11.211 12.816 -0.547 1.00 10.01 H new ATOM 0 HA2 GLY A 54 -10.560 13.185 -2.665 1.00 32.51 H new ATOM 0 HA3 GLY A 54 -10.910 14.891 -2.472 1.00 32.51 H new ATOM 870 N ILE A 55 -8.152 13.607 -1.169 1.00 4.22 N ATOM 871 CA ILE A 55 -6.696 13.780 -0.999 1.00 20.43 C ATOM 872 C ILE A 55 -5.966 13.212 -2.231 1.00 41.10 C ATOM 873 O ILE A 55 -5.983 11.998 -2.459 1.00 73.50 O ATOM 874 CB ILE A 55 -6.192 13.072 0.317 1.00 22.03 C ATOM 875 CG1 ILE A 55 -6.992 13.615 1.543 1.00 55.42 C ATOM 876 CG2 ILE A 55 -4.659 13.260 0.515 1.00 55.33 C ATOM 877 CD1 ILE A 55 -6.751 12.875 2.842 1.00 54.03 C ATOM 0 H ILE A 55 -8.546 12.866 -0.590 1.00 4.22 H new ATOM 0 HA ILE A 55 -6.476 14.844 -0.907 1.00 20.43 H new ATOM 0 HB ILE A 55 -6.370 12.001 0.226 1.00 22.03 H new ATOM 0 HG12 ILE A 55 -6.738 14.665 1.688 1.00 55.42 H new ATOM 0 HG13 ILE A 55 -8.056 13.574 1.311 1.00 55.42 H new ATOM 0 HG21 ILE A 55 -4.346 12.759 1.431 1.00 55.33 H new ATOM 0 HG22 ILE A 55 -4.127 12.829 -0.333 1.00 55.33 H new ATOM 0 HG23 ILE A 55 -4.429 14.323 0.586 1.00 55.33 H new ATOM 0 HD11 ILE A 55 -7.350 13.325 3.634 1.00 54.03 H new ATOM 0 HD12 ILE A 55 -7.034 11.829 2.723 1.00 54.03 H new ATOM 0 HD13 ILE A 55 -5.695 12.937 3.106 1.00 54.03 H new ATOM 889 N HIS A 56 -5.380 14.106 -3.047 1.00 13.40 N ATOM 890 CA HIS A 56 -4.663 13.716 -4.273 1.00 20.31 C ATOM 891 C HIS A 56 -3.169 13.578 -3.958 1.00 21.31 C ATOM 892 O HIS A 56 -2.468 14.572 -3.814 1.00 63.23 O ATOM 893 CB HIS A 56 -4.893 14.793 -5.366 1.00 41.23 C ATOM 894 CG HIS A 56 -6.344 15.057 -5.641 1.00 21.52 C ATOM 895 ND1 HIS A 56 -6.947 16.273 -5.424 1.00 21.42 N ATOM 896 CD2 HIS A 56 -7.312 14.240 -6.087 1.00 24.21 C ATOM 897 CE1 HIS A 56 -8.220 16.190 -5.740 1.00 44.01 C ATOM 898 NE2 HIS A 56 -8.465 14.962 -6.142 1.00 21.41 N ATOM 0 H HIS A 56 -5.390 15.112 -2.877 1.00 13.40 H new ATOM 0 HA HIS A 56 -5.037 12.760 -4.640 1.00 20.31 H new ATOM 0 HB2 HIS A 56 -4.414 15.722 -5.058 1.00 41.23 H new ATOM 0 HB3 HIS A 56 -4.407 14.475 -6.288 1.00 41.23 H new ATOM 0 HD2 HIS A 56 -7.197 13.200 -6.354 1.00 24.21 H new ATOM 0 HE1 HIS A 56 -8.941 16.992 -5.680 1.00 44.01 H new ATOM 0 HE2 HIS A 56 -9.372 14.608 -6.446 1.00 21.41 H new ATOM 907 N PHE A 57 -2.687 12.340 -3.902 1.00 34.14 N ATOM 908 CA PHE A 57 -1.283 12.026 -3.575 1.00 3.50 C ATOM 909 C PHE A 57 -0.595 11.447 -4.811 1.00 53.42 C ATOM 910 O PHE A 57 -1.219 10.719 -5.590 1.00 21.33 O ATOM 911 CB PHE A 57 -1.209 11.056 -2.356 1.00 33.25 C ATOM 912 CG PHE A 57 -2.250 9.925 -2.356 1.00 73.32 C ATOM 913 CD1 PHE A 57 -2.071 8.774 -3.125 1.00 64.31 C ATOM 914 CD2 PHE A 57 -3.414 10.031 -1.590 1.00 23.22 C ATOM 915 CE1 PHE A 57 -3.013 7.770 -3.126 1.00 74.13 C ATOM 916 CE2 PHE A 57 -4.357 9.022 -1.592 1.00 21.24 C ATOM 917 CZ PHE A 57 -4.155 7.893 -2.362 1.00 72.31 C ATOM 0 H PHE A 57 -3.257 11.514 -4.082 1.00 34.14 H new ATOM 0 HA PHE A 57 -0.758 12.937 -3.288 1.00 3.50 H new ATOM 0 HB2 PHE A 57 -0.214 10.612 -2.325 1.00 33.25 H new ATOM 0 HB3 PHE A 57 -1.328 11.637 -1.442 1.00 33.25 H new ATOM 0 HD1 PHE A 57 -1.181 8.670 -3.728 1.00 64.31 H new ATOM 0 HD2 PHE A 57 -3.578 10.913 -0.989 1.00 23.22 H new ATOM 0 HE1 PHE A 57 -2.858 6.885 -3.726 1.00 74.13 H new ATOM 0 HE2 PHE A 57 -5.251 9.115 -0.993 1.00 21.24 H new ATOM 0 HZ PHE A 57 -4.893 7.105 -2.366 1.00 72.31 H new ATOM 927 N GLU A 58 0.679 11.795 -4.997 1.00 24.33 N ATOM 928 CA GLU A 58 1.480 11.316 -6.127 1.00 10.24 C ATOM 929 C GLU A 58 2.811 10.770 -5.621 1.00 71.33 C ATOM 930 O GLU A 58 3.514 11.442 -4.867 1.00 40.25 O ATOM 931 CB GLU A 58 1.710 12.454 -7.164 1.00 5.24 C ATOM 932 CG GLU A 58 2.490 12.023 -8.433 1.00 52.31 C ATOM 933 CD GLU A 58 1.828 10.842 -9.176 1.00 42.31 C ATOM 934 OE1 GLU A 58 2.218 9.671 -8.940 1.00 44.02 O ATOM 935 OE2 GLU A 58 0.883 11.070 -9.967 1.00 4.10 O ATOM 0 H GLU A 58 1.186 12.418 -4.368 1.00 24.33 H new ATOM 0 HA GLU A 58 0.937 10.514 -6.627 1.00 10.24 H new ATOM 0 HB2 GLU A 58 0.742 12.853 -7.467 1.00 5.24 H new ATOM 0 HB3 GLU A 58 2.252 13.266 -6.679 1.00 5.24 H new ATOM 0 HG2 GLU A 58 2.569 12.873 -9.111 1.00 52.31 H new ATOM 0 HG3 GLU A 58 3.506 11.745 -8.152 1.00 52.31 H new ATOM 942 N VAL A 59 3.139 9.544 -6.052 1.00 24.41 N ATOM 943 CA VAL A 59 4.401 8.879 -5.718 1.00 32.55 C ATOM 944 C VAL A 59 5.557 9.577 -6.465 1.00 25.12 C ATOM 945 O VAL A 59 5.741 9.390 -7.673 1.00 63.11 O ATOM 946 CB VAL A 59 4.340 7.344 -6.069 1.00 12.13 C ATOM 947 CG1 VAL A 59 5.700 6.640 -5.822 1.00 34.31 C ATOM 948 CG2 VAL A 59 3.199 6.648 -5.284 1.00 1.52 C ATOM 0 H VAL A 59 2.529 8.983 -6.647 1.00 24.41 H new ATOM 0 HA VAL A 59 4.574 8.957 -4.645 1.00 32.55 H new ATOM 0 HB VAL A 59 4.125 7.259 -7.134 1.00 12.13 H new ATOM 0 HG11 VAL A 59 5.614 5.584 -6.076 1.00 34.31 H new ATOM 0 HG12 VAL A 59 6.467 7.102 -6.444 1.00 34.31 H new ATOM 0 HG13 VAL A 59 5.976 6.739 -4.772 1.00 34.31 H new ATOM 0 HG21 VAL A 59 3.174 5.589 -5.541 1.00 1.52 H new ATOM 0 HG22 VAL A 59 3.374 6.758 -4.214 1.00 1.52 H new ATOM 0 HG23 VAL A 59 2.245 7.107 -5.545 1.00 1.52 H new ATOM 958 N LYS A 60 6.288 10.423 -5.726 1.00 75.31 N ATOM 959 CA LYS A 60 7.437 11.192 -6.246 1.00 4.03 C ATOM 960 C LYS A 60 8.740 10.396 -6.062 1.00 4.13 C ATOM 961 O LYS A 60 9.709 10.569 -6.814 1.00 44.23 O ATOM 962 CB LYS A 60 7.523 12.566 -5.518 1.00 74.43 C ATOM 963 CG LYS A 60 6.225 13.410 -5.578 1.00 50.13 C ATOM 964 CD LYS A 60 5.777 13.765 -7.012 1.00 32.11 C ATOM 965 CE LYS A 60 6.732 14.746 -7.714 1.00 4.21 C ATOM 966 NZ LYS A 60 6.748 16.083 -7.056 1.00 40.33 N ATOM 0 H LYS A 60 6.099 10.598 -4.739 1.00 75.31 H new ATOM 0 HA LYS A 60 7.296 11.369 -7.312 1.00 4.03 H new ATOM 0 HB2 LYS A 60 7.780 12.393 -4.473 1.00 74.43 H new ATOM 0 HB3 LYS A 60 8.337 13.144 -5.956 1.00 74.43 H new ATOM 0 HG2 LYS A 60 5.424 12.862 -5.082 1.00 50.13 H new ATOM 0 HG3 LYS A 60 6.376 14.332 -5.016 1.00 50.13 H new ATOM 0 HD2 LYS A 60 5.706 12.851 -7.601 1.00 32.11 H new ATOM 0 HD3 LYS A 60 4.778 14.200 -6.978 1.00 32.11 H new ATOM 0 HE2 LYS A 60 7.740 14.331 -7.715 1.00 4.21 H new ATOM 0 HE3 LYS A 60 6.433 14.859 -8.756 1.00 4.21 H new ATOM 0 HZ1 LYS A 60 6.214 16.762 -7.636 1.00 40.33 H new ATOM 0 HZ2 LYS A 60 6.311 16.012 -6.115 1.00 40.33 H new ATOM 0 HZ3 LYS A 60 7.730 16.410 -6.957 1.00 40.33 H new ATOM 980 N ARG A 61 8.740 9.529 -5.044 1.00 54.44 N ATOM 981 CA ARG A 61 9.849 8.622 -4.746 1.00 14.34 C ATOM 982 C ARG A 61 9.264 7.314 -4.206 1.00 75.42 C ATOM 983 O ARG A 61 8.217 7.325 -3.563 1.00 44.34 O ATOM 984 CB ARG A 61 10.816 9.265 -3.705 1.00 40.01 C ATOM 985 CG ARG A 61 12.089 8.440 -3.384 1.00 2.24 C ATOM 986 CD ARG A 61 12.995 8.248 -4.614 1.00 10.21 C ATOM 987 NE ARG A 61 13.394 9.545 -5.197 1.00 54.31 N ATOM 988 CZ ARG A 61 13.313 9.877 -6.500 1.00 32.20 C ATOM 989 NH1 ARG A 61 12.845 9.017 -7.405 1.00 34.31 N ATOM 990 NH2 ARG A 61 13.661 11.094 -6.881 1.00 61.12 N ATOM 0 H ARG A 61 7.958 9.438 -4.396 1.00 54.44 H new ATOM 0 HA ARG A 61 10.425 8.425 -5.650 1.00 14.34 H new ATOM 0 HB2 ARG A 61 11.121 10.244 -4.074 1.00 40.01 H new ATOM 0 HB3 ARG A 61 10.267 9.431 -2.778 1.00 40.01 H new ATOM 0 HG2 ARG A 61 12.653 8.940 -2.596 1.00 2.24 H new ATOM 0 HG3 ARG A 61 11.797 7.464 -2.996 1.00 2.24 H new ATOM 0 HD2 ARG A 61 13.885 7.687 -4.328 1.00 10.21 H new ATOM 0 HD3 ARG A 61 12.472 7.656 -5.364 1.00 10.21 H new ATOM 0 HE ARG A 61 13.762 10.250 -4.558 1.00 54.31 H new ATOM 0 HH11 ARG A 61 12.540 8.088 -7.116 1.00 34.31 H new ATOM 0 HH12 ARG A 61 12.792 9.288 -8.387 1.00 34.31 H new ATOM 0 HH21 ARG A 61 13.987 11.771 -6.191 1.00 61.12 H new ATOM 0 HH22 ARG A 61 13.604 11.356 -7.865 1.00 61.12 H new ATOM 1004 N VAL A 62 9.929 6.197 -4.507 1.00 64.13 N ATOM 1005 CA VAL A 62 9.580 4.875 -3.973 1.00 72.11 C ATOM 1006 C VAL A 62 10.865 4.022 -3.860 1.00 74.32 C ATOM 1007 O VAL A 62 11.564 3.780 -4.851 1.00 60.23 O ATOM 1008 CB VAL A 62 8.462 4.156 -4.837 1.00 63.32 C ATOM 1009 CG1 VAL A 62 8.818 4.124 -6.340 1.00 52.33 C ATOM 1010 CG2 VAL A 62 8.144 2.739 -4.291 1.00 71.04 C ATOM 0 H VAL A 62 10.733 6.182 -5.134 1.00 64.13 H new ATOM 0 HA VAL A 62 9.148 4.999 -2.980 1.00 72.11 H new ATOM 0 HB VAL A 62 7.555 4.753 -4.743 1.00 63.32 H new ATOM 0 HG11 VAL A 62 8.023 3.622 -6.892 1.00 52.33 H new ATOM 0 HG12 VAL A 62 8.928 5.143 -6.710 1.00 52.33 H new ATOM 0 HG13 VAL A 62 9.754 3.584 -6.481 1.00 52.33 H new ATOM 0 HG21 VAL A 62 7.374 2.276 -4.908 1.00 71.04 H new ATOM 0 HG22 VAL A 62 9.046 2.128 -4.318 1.00 71.04 H new ATOM 0 HG23 VAL A 62 7.789 2.816 -3.263 1.00 71.04 H new ATOM 1020 N GLU A 63 11.185 3.621 -2.625 1.00 0.24 N ATOM 1021 CA GLU A 63 12.344 2.780 -2.310 1.00 2.13 C ATOM 1022 C GLU A 63 11.837 1.523 -1.613 1.00 4.41 C ATOM 1023 O GLU A 63 11.427 1.567 -0.455 1.00 71.04 O ATOM 1024 CB GLU A 63 13.335 3.547 -1.392 1.00 22.54 C ATOM 1025 CG GLU A 63 13.951 4.799 -2.040 1.00 4.43 C ATOM 1026 CD GLU A 63 14.917 5.537 -1.104 1.00 41.44 C ATOM 1027 OE1 GLU A 63 16.075 5.082 -0.946 1.00 1.03 O ATOM 1028 OE2 GLU A 63 14.529 6.562 -0.510 1.00 40.44 O ATOM 0 H GLU A 63 10.637 3.876 -1.803 1.00 0.24 H new ATOM 0 HA GLU A 63 12.876 2.514 -3.224 1.00 2.13 H new ATOM 0 HB2 GLU A 63 12.815 3.841 -0.480 1.00 22.54 H new ATOM 0 HB3 GLU A 63 14.138 2.871 -1.097 1.00 22.54 H new ATOM 0 HG2 GLU A 63 14.481 4.510 -2.947 1.00 4.43 H new ATOM 0 HG3 GLU A 63 13.153 5.478 -2.340 1.00 4.43 H new ATOM 1035 N VAL A 64 11.847 0.414 -2.344 1.00 53.33 N ATOM 1036 CA VAL A 64 11.428 -0.894 -1.838 1.00 44.35 C ATOM 1037 C VAL A 64 12.695 -1.678 -1.477 1.00 4.33 C ATOM 1038 O VAL A 64 13.451 -2.084 -2.363 1.00 43.24 O ATOM 1039 CB VAL A 64 10.555 -1.634 -2.922 1.00 32.14 C ATOM 1040 CG1 VAL A 64 10.136 -3.053 -2.463 1.00 15.03 C ATOM 1041 CG2 VAL A 64 9.320 -0.775 -3.264 1.00 3.13 C ATOM 0 H VAL A 64 12.150 0.395 -3.318 1.00 53.33 H new ATOM 0 HA VAL A 64 10.805 -0.797 -0.949 1.00 44.35 H new ATOM 0 HB VAL A 64 11.163 -1.764 -3.818 1.00 32.14 H new ATOM 0 HG11 VAL A 64 9.536 -3.525 -3.241 1.00 15.03 H new ATOM 0 HG12 VAL A 64 11.027 -3.653 -2.277 1.00 15.03 H new ATOM 0 HG13 VAL A 64 9.550 -2.981 -1.547 1.00 15.03 H new ATOM 0 HG21 VAL A 64 8.717 -1.287 -4.014 1.00 3.13 H new ATOM 0 HG22 VAL A 64 8.725 -0.619 -2.364 1.00 3.13 H new ATOM 0 HG23 VAL A 64 9.644 0.189 -3.656 1.00 3.13 H new ATOM 1051 N THR A 65 12.934 -1.861 -0.171 1.00 35.52 N ATOM 1052 CA THR A 65 14.182 -2.445 0.341 1.00 23.21 C ATOM 1053 C THR A 65 13.853 -3.656 1.216 1.00 61.12 C ATOM 1054 O THR A 65 13.035 -3.576 2.142 1.00 31.15 O ATOM 1055 CB THR A 65 15.047 -1.396 1.134 1.00 52.43 C ATOM 1056 OG1 THR A 65 16.243 -2.016 1.636 1.00 11.41 O ATOM 1057 CG2 THR A 65 14.283 -0.723 2.300 1.00 30.05 C ATOM 0 H THR A 65 12.269 -1.609 0.560 1.00 35.52 H new ATOM 0 HA THR A 65 14.784 -2.763 -0.510 1.00 23.21 H new ATOM 0 HB THR A 65 15.298 -0.609 0.423 1.00 52.43 H new ATOM 0 HG1 THR A 65 16.774 -1.354 2.126 1.00 11.41 H new ATOM 0 HG21 THR A 65 14.939 -0.012 2.803 1.00 30.05 H new ATOM 0 HG22 THR A 65 13.411 -0.198 1.909 1.00 30.05 H new ATOM 0 HG23 THR A 65 13.960 -1.484 3.011 1.00 30.05 H new ATOM 1065 N THR A 66 14.466 -4.786 0.888 1.00 65.11 N ATOM 1066 CA THR A 66 14.237 -6.033 1.589 1.00 61.24 C ATOM 1067 C THR A 66 15.234 -6.129 2.758 1.00 52.25 C ATOM 1068 O THR A 66 16.449 -6.229 2.553 1.00 0.03 O ATOM 1069 CB THR A 66 14.397 -7.248 0.626 1.00 44.21 C ATOM 1070 OG1 THR A 66 13.924 -6.891 -0.681 1.00 33.33 O ATOM 1071 CG2 THR A 66 13.607 -8.467 1.114 1.00 71.34 C ATOM 0 H THR A 66 15.138 -4.859 0.124 1.00 65.11 H new ATOM 0 HA THR A 66 13.217 -6.054 1.973 1.00 61.24 H new ATOM 0 HB THR A 66 15.455 -7.508 0.597 1.00 44.21 H new ATOM 0 HG1 THR A 66 14.170 -7.591 -1.321 1.00 33.33 H new ATOM 0 HG21 THR A 66 13.744 -9.293 0.416 1.00 71.34 H new ATOM 0 HG22 THR A 66 13.966 -8.762 2.100 1.00 71.34 H new ATOM 0 HG23 THR A 66 12.548 -8.214 1.174 1.00 71.34 H new ATOM 1079 N ASP A 67 14.694 -6.079 3.966 1.00 51.32 N ATOM 1080 CA ASP A 67 15.452 -6.063 5.221 1.00 15.10 C ATOM 1081 C ASP A 67 15.229 -7.412 5.922 1.00 43.30 C ATOM 1082 O ASP A 67 14.232 -7.605 6.635 1.00 54.54 O ATOM 1083 CB ASP A 67 14.975 -4.865 6.093 1.00 14.52 C ATOM 1084 CG ASP A 67 15.786 -4.692 7.390 1.00 35.25 C ATOM 1085 OD1 ASP A 67 15.413 -5.271 8.432 1.00 25.13 O ATOM 1086 OD2 ASP A 67 16.820 -3.987 7.360 1.00 31.13 O ATOM 0 H ASP A 67 13.685 -6.047 4.111 1.00 51.32 H new ATOM 0 HA ASP A 67 16.519 -5.932 5.044 1.00 15.10 H new ATOM 0 HB2 ASP A 67 15.042 -3.949 5.506 1.00 14.52 H new ATOM 0 HB3 ASP A 67 13.924 -5.005 6.346 1.00 14.52 H new ATOM 1091 N GLY A 68 16.136 -8.360 5.626 1.00 12.35 N ATOM 1092 CA GLY A 68 16.051 -9.727 6.124 1.00 73.11 C ATOM 1093 C GLY A 68 14.898 -10.496 5.493 1.00 23.44 C ATOM 1094 O GLY A 68 14.930 -10.793 4.294 1.00 64.41 O ATOM 0 H GLY A 68 16.948 -8.190 5.032 1.00 12.35 H new ATOM 0 HA2 GLY A 68 16.987 -10.246 5.919 1.00 73.11 H new ATOM 0 HA3 GLY A 68 15.926 -9.711 7.207 1.00 73.11 H new ATOM 1098 N ASN A 69 13.865 -10.785 6.295 1.00 34.41 N ATOM 1099 CA ASN A 69 12.648 -11.502 5.840 1.00 3.54 C ATOM 1100 C ASN A 69 11.426 -10.563 5.878 1.00 22.05 C ATOM 1101 O ASN A 69 10.279 -11.008 5.990 1.00 21.41 O ATOM 1102 CB ASN A 69 12.403 -12.756 6.728 1.00 51.51 C ATOM 1103 CG ASN A 69 13.511 -13.818 6.644 1.00 10.40 C ATOM 1104 OD1 ASN A 69 14.198 -13.953 5.629 1.00 3.35 O ATOM 1105 ND2 ASN A 69 13.663 -14.605 7.701 1.00 43.11 N ATOM 0 H ASN A 69 13.842 -10.531 7.283 1.00 34.41 H new ATOM 0 HA ASN A 69 12.796 -11.829 4.811 1.00 3.54 H new ATOM 0 HB2 ASN A 69 12.299 -12.437 7.765 1.00 51.51 H new ATOM 0 HB3 ASN A 69 11.456 -13.212 6.439 1.00 51.51 H new ATOM 0 HD21 ASN A 69 14.363 -15.346 7.688 1.00 43.11 H new ATOM 0 HD22 ASN A 69 13.080 -14.469 8.526 1.00 43.11 H new ATOM 1112 N THR A 70 11.683 -9.251 5.807 1.00 44.22 N ATOM 1113 CA THR A 70 10.630 -8.226 5.778 1.00 32.32 C ATOM 1114 C THR A 70 10.937 -7.175 4.693 1.00 72.43 C ATOM 1115 O THR A 70 11.988 -6.541 4.739 1.00 75.44 O ATOM 1116 CB THR A 70 10.502 -7.532 7.170 1.00 72.14 C ATOM 1117 OG1 THR A 70 10.253 -8.513 8.197 1.00 13.33 O ATOM 1118 CG2 THR A 70 9.373 -6.496 7.180 1.00 74.24 C ATOM 0 H THR A 70 12.628 -8.869 5.768 1.00 44.22 H new ATOM 0 HA THR A 70 9.684 -8.713 5.542 1.00 32.32 H new ATOM 0 HB THR A 70 11.444 -7.021 7.367 1.00 72.14 H new ATOM 0 HG1 THR A 70 10.176 -8.065 9.065 1.00 13.33 H new ATOM 0 HG21 THR A 70 9.313 -6.033 8.165 1.00 74.24 H new ATOM 0 HG22 THR A 70 9.575 -5.731 6.431 1.00 74.24 H new ATOM 0 HG23 THR A 70 8.427 -6.987 6.951 1.00 74.24 H new ATOM 1126 N VAL A 71 10.010 -6.986 3.744 1.00 22.12 N ATOM 1127 CA VAL A 71 10.135 -5.964 2.692 1.00 20.32 C ATOM 1128 C VAL A 71 9.531 -4.634 3.188 1.00 71.33 C ATOM 1129 O VAL A 71 8.317 -4.520 3.371 1.00 53.45 O ATOM 1130 CB VAL A 71 9.415 -6.390 1.363 1.00 41.25 C ATOM 1131 CG1 VAL A 71 9.696 -5.369 0.236 1.00 61.51 C ATOM 1132 CG2 VAL A 71 9.822 -7.815 0.938 1.00 14.11 C ATOM 0 H VAL A 71 9.153 -7.536 3.683 1.00 22.12 H new ATOM 0 HA VAL A 71 11.197 -5.847 2.476 1.00 20.32 H new ATOM 0 HB VAL A 71 8.341 -6.399 1.551 1.00 41.25 H new ATOM 0 HG11 VAL A 71 9.188 -5.684 -0.675 1.00 61.51 H new ATOM 0 HG12 VAL A 71 9.330 -4.387 0.535 1.00 61.51 H new ATOM 0 HG13 VAL A 71 10.769 -5.316 0.053 1.00 61.51 H new ATOM 0 HG21 VAL A 71 9.307 -8.080 0.015 1.00 14.11 H new ATOM 0 HG22 VAL A 71 10.899 -7.853 0.776 1.00 14.11 H new ATOM 0 HG23 VAL A 71 9.548 -8.521 1.722 1.00 14.11 H new ATOM 1142 N ASN A 72 10.398 -3.647 3.408 1.00 60.31 N ATOM 1143 CA ASN A 72 10.009 -2.308 3.885 1.00 64.30 C ATOM 1144 C ASN A 72 9.911 -1.347 2.688 1.00 62.22 C ATOM 1145 O ASN A 72 10.936 -0.936 2.127 1.00 63.43 O ATOM 1146 CB ASN A 72 11.044 -1.800 4.928 1.00 12.11 C ATOM 1147 CG ASN A 72 11.083 -2.676 6.189 1.00 11.43 C ATOM 1148 OD1 ASN A 72 10.397 -2.404 7.173 1.00 52.14 O ATOM 1149 ND2 ASN A 72 11.855 -3.754 6.155 1.00 55.14 N ATOM 0 H ASN A 72 11.402 -3.749 3.261 1.00 60.31 H new ATOM 0 HA ASN A 72 9.034 -2.356 4.370 1.00 64.30 H new ATOM 0 HB2 ASN A 72 12.034 -1.779 4.473 1.00 12.11 H new ATOM 0 HB3 ASN A 72 10.800 -0.775 5.208 1.00 12.11 H new ATOM 0 HD21 ASN A 72 11.890 -4.382 6.958 1.00 55.14 H new ATOM 0 HD22 ASN A 72 12.414 -3.955 5.326 1.00 55.14 H new ATOM 1156 N VAL A 73 8.673 -1.025 2.275 1.00 51.23 N ATOM 1157 CA VAL A 73 8.414 -0.086 1.172 1.00 14.31 C ATOM 1158 C VAL A 73 8.314 1.342 1.736 1.00 70.02 C ATOM 1159 O VAL A 73 7.306 1.714 2.338 1.00 70.31 O ATOM 1160 CB VAL A 73 7.090 -0.458 0.395 1.00 40.35 C ATOM 1161 CG1 VAL A 73 6.803 0.544 -0.758 1.00 24.02 C ATOM 1162 CG2 VAL A 73 7.163 -1.913 -0.130 1.00 22.24 C ATOM 0 H VAL A 73 7.826 -1.408 2.696 1.00 51.23 H new ATOM 0 HA VAL A 73 9.240 -0.148 0.463 1.00 14.31 H new ATOM 0 HB VAL A 73 6.257 -0.387 1.095 1.00 40.35 H new ATOM 0 HG11 VAL A 73 5.885 0.256 -1.270 1.00 24.02 H new ATOM 0 HG12 VAL A 73 6.691 1.548 -0.348 1.00 24.02 H new ATOM 0 HG13 VAL A 73 7.632 0.532 -1.466 1.00 24.02 H new ATOM 0 HG21 VAL A 73 6.243 -2.154 -0.663 1.00 22.24 H new ATOM 0 HG22 VAL A 73 8.012 -2.013 -0.807 1.00 22.24 H new ATOM 0 HG23 VAL A 73 7.286 -2.597 0.710 1.00 22.24 H new ATOM 1172 N THR A 74 9.377 2.118 1.536 1.00 20.02 N ATOM 1173 CA THR A 74 9.456 3.516 1.954 1.00 40.34 C ATOM 1174 C THR A 74 9.155 4.392 0.735 1.00 62.32 C ATOM 1175 O THR A 74 10.003 4.567 -0.137 1.00 52.24 O ATOM 1176 CB THR A 74 10.878 3.808 2.512 1.00 4.14 C ATOM 1177 OG1 THR A 74 11.178 2.829 3.518 1.00 40.41 O ATOM 1178 CG2 THR A 74 11.010 5.229 3.103 1.00 63.24 C ATOM 0 H THR A 74 10.222 1.787 1.071 1.00 20.02 H new ATOM 0 HA THR A 74 8.734 3.730 2.742 1.00 40.34 H new ATOM 0 HB THR A 74 11.586 3.751 1.685 1.00 4.14 H new ATOM 0 HG1 THR A 74 12.073 2.996 3.881 1.00 40.41 H new ATOM 0 HG21 THR A 74 12.023 5.375 3.477 1.00 63.24 H new ATOM 0 HG22 THR A 74 10.799 5.966 2.328 1.00 63.24 H new ATOM 0 HG23 THR A 74 10.301 5.350 3.922 1.00 63.24 H new ATOM 1186 N VAL A 75 7.940 4.936 0.692 1.00 72.44 N ATOM 1187 CA VAL A 75 7.404 5.625 -0.487 1.00 71.31 C ATOM 1188 C VAL A 75 6.946 7.048 -0.110 1.00 3.32 C ATOM 1189 O VAL A 75 6.226 7.250 0.870 1.00 61.54 O ATOM 1190 CB VAL A 75 6.241 4.772 -1.142 1.00 2.21 C ATOM 1191 CG1 VAL A 75 5.190 4.326 -0.101 1.00 53.45 C ATOM 1192 CG2 VAL A 75 5.585 5.505 -2.336 1.00 32.02 C ATOM 0 H VAL A 75 7.292 4.912 1.480 1.00 72.44 H new ATOM 0 HA VAL A 75 8.190 5.725 -1.236 1.00 71.31 H new ATOM 0 HB VAL A 75 6.704 3.867 -1.536 1.00 2.21 H new ATOM 0 HG11 VAL A 75 4.412 3.744 -0.596 1.00 53.45 H new ATOM 0 HG12 VAL A 75 5.671 3.714 0.662 1.00 53.45 H new ATOM 0 HG13 VAL A 75 4.745 5.205 0.366 1.00 53.45 H new ATOM 0 HG21 VAL A 75 4.793 4.883 -2.754 1.00 32.02 H new ATOM 0 HG22 VAL A 75 5.162 6.450 -1.995 1.00 32.02 H new ATOM 0 HG23 VAL A 75 6.337 5.699 -3.101 1.00 32.02 H new ATOM 1202 N GLU A 76 7.422 8.024 -0.886 1.00 52.23 N ATOM 1203 CA GLU A 76 7.138 9.446 -0.715 1.00 21.40 C ATOM 1204 C GLU A 76 5.924 9.836 -1.577 1.00 51.22 C ATOM 1205 O GLU A 76 6.001 9.801 -2.815 1.00 52.45 O ATOM 1206 CB GLU A 76 8.389 10.246 -1.161 1.00 14.04 C ATOM 1207 CG GLU A 76 8.306 11.771 -0.971 1.00 73.15 C ATOM 1208 CD GLU A 76 8.406 12.205 0.500 1.00 23.13 C ATOM 1209 OE1 GLU A 76 9.496 12.635 0.934 1.00 61.13 O ATOM 1210 OE2 GLU A 76 7.397 12.127 1.229 1.00 0.30 O ATOM 0 H GLU A 76 8.037 7.837 -1.678 1.00 52.23 H new ATOM 0 HA GLU A 76 6.908 9.667 0.327 1.00 21.40 H new ATOM 0 HB2 GLU A 76 9.252 9.875 -0.607 1.00 14.04 H new ATOM 0 HB3 GLU A 76 8.574 10.039 -2.215 1.00 14.04 H new ATOM 0 HG2 GLU A 76 9.107 12.245 -1.538 1.00 73.15 H new ATOM 0 HG3 GLU A 76 7.365 12.132 -1.386 1.00 73.15 H new ATOM 1217 N LEU A 77 4.804 10.174 -0.923 1.00 34.24 N ATOM 1218 CA LEU A 77 3.574 10.628 -1.595 1.00 60.11 C ATOM 1219 C LEU A 77 3.384 12.122 -1.310 1.00 42.11 C ATOM 1220 O LEU A 77 3.222 12.518 -0.157 1.00 44.31 O ATOM 1221 CB LEU A 77 2.310 9.845 -1.121 1.00 3.53 C ATOM 1222 CG LEU A 77 2.279 8.294 -1.377 1.00 1.40 C ATOM 1223 CD1 LEU A 77 3.190 7.527 -0.405 1.00 51.13 C ATOM 1224 CD2 LEU A 77 0.838 7.754 -1.312 1.00 51.51 C ATOM 0 H LEU A 77 4.723 10.141 0.093 1.00 34.24 H new ATOM 0 HA LEU A 77 3.686 10.442 -2.663 1.00 60.11 H new ATOM 0 HB2 LEU A 77 2.193 10.012 -0.050 1.00 3.53 H new ATOM 0 HB3 LEU A 77 1.440 10.284 -1.609 1.00 3.53 H new ATOM 0 HG LEU A 77 2.667 8.130 -2.382 1.00 1.40 H new ATOM 0 HD11 LEU A 77 3.135 6.460 -0.620 1.00 51.13 H new ATOM 0 HD12 LEU A 77 4.218 7.869 -0.523 1.00 51.13 H new ATOM 0 HD13 LEU A 77 2.863 7.707 0.619 1.00 51.13 H new ATOM 0 HD21 LEU A 77 0.844 6.679 -1.492 1.00 51.51 H new ATOM 0 HD22 LEU A 77 0.419 7.954 -0.326 1.00 51.51 H new ATOM 0 HD23 LEU A 77 0.230 8.246 -2.072 1.00 51.51 H new ATOM 1236 N GLU A 78 3.380 12.945 -2.367 1.00 4.54 N ATOM 1237 CA GLU A 78 3.156 14.389 -2.247 1.00 21.54 C ATOM 1238 C GLU A 78 1.637 14.621 -2.324 1.00 64.10 C ATOM 1239 O GLU A 78 1.034 14.552 -3.405 1.00 21.44 O ATOM 1240 CB GLU A 78 3.926 15.135 -3.374 1.00 64.23 C ATOM 1241 CG GLU A 78 4.145 16.642 -3.144 1.00 22.44 C ATOM 1242 CD GLU A 78 5.059 17.271 -4.215 1.00 32.32 C ATOM 1243 OE1 GLU A 78 6.251 16.876 -4.299 1.00 54.51 O ATOM 1244 OE2 GLU A 78 4.600 18.140 -4.990 1.00 21.34 O ATOM 0 H GLU A 78 3.531 12.629 -3.325 1.00 4.54 H new ATOM 0 HA GLU A 78 3.531 14.780 -1.301 1.00 21.54 H new ATOM 0 HB2 GLU A 78 4.899 14.660 -3.501 1.00 64.23 H new ATOM 0 HB3 GLU A 78 3.382 15.004 -4.310 1.00 64.23 H new ATOM 0 HG2 GLU A 78 3.181 17.152 -3.147 1.00 22.44 H new ATOM 0 HG3 GLU A 78 4.584 16.797 -2.158 1.00 22.44 H new ATOM 1251 N GLU A 79 1.035 14.837 -1.146 1.00 35.53 N ATOM 1252 CA GLU A 79 -0.422 14.893 -0.957 1.00 10.11 C ATOM 1253 C GLU A 79 -0.928 16.329 -1.100 1.00 32.33 C ATOM 1254 O GLU A 79 -0.297 17.268 -0.611 1.00 73.34 O ATOM 1255 CB GLU A 79 -0.808 14.330 0.436 1.00 72.40 C ATOM 1256 CG GLU A 79 -0.219 12.937 0.738 1.00 44.42 C ATOM 1257 CD GLU A 79 -0.837 12.295 1.983 1.00 44.44 C ATOM 1258 OE1 GLU A 79 -1.701 11.400 1.848 1.00 64.12 O ATOM 1259 OE2 GLU A 79 -0.494 12.724 3.102 1.00 53.35 O ATOM 0 H GLU A 79 1.557 14.980 -0.281 1.00 35.53 H new ATOM 0 HA GLU A 79 -0.891 14.280 -1.727 1.00 10.11 H new ATOM 0 HB2 GLU A 79 -0.474 15.028 1.203 1.00 72.40 H new ATOM 0 HB3 GLU A 79 -1.894 14.276 0.506 1.00 72.40 H new ATOM 0 HG2 GLU A 79 -0.379 12.285 -0.120 1.00 44.42 H new ATOM 0 HG3 GLU A 79 0.859 13.024 0.875 1.00 44.42 H new ATOM 1266 N THR A 80 -2.082 16.472 -1.755 1.00 25.43 N ATOM 1267 CA THR A 80 -2.745 17.750 -1.995 1.00 43.32 C ATOM 1268 C THR A 80 -4.177 17.648 -1.448 1.00 34.43 C ATOM 1269 O THR A 80 -4.995 16.879 -1.968 1.00 31.21 O ATOM 1270 CB THR A 80 -2.762 18.101 -3.524 1.00 62.55 C ATOM 1271 OG1 THR A 80 -1.432 17.940 -4.066 1.00 70.30 O ATOM 1272 CG2 THR A 80 -3.242 19.550 -3.780 1.00 43.43 C ATOM 0 H THR A 80 -2.593 15.679 -2.143 1.00 25.43 H new ATOM 0 HA THR A 80 -2.202 18.549 -1.490 1.00 43.32 H new ATOM 0 HB THR A 80 -3.462 17.424 -4.013 1.00 62.55 H new ATOM 0 HG1 THR A 80 -1.440 18.157 -5.022 1.00 70.30 H new ATOM 0 HG21 THR A 80 -3.238 19.751 -4.851 1.00 43.43 H new ATOM 0 HG22 THR A 80 -4.253 19.672 -3.391 1.00 43.43 H new ATOM 0 HG23 THR A 80 -2.573 20.249 -3.278 1.00 43.43 H new ATOM 1280 N THR A 81 -4.449 18.384 -0.369 1.00 11.31 N ATOM 1281 CA THR A 81 -5.764 18.421 0.286 1.00 50.13 C ATOM 1282 C THR A 81 -6.145 19.892 0.533 1.00 71.50 C ATOM 1283 O THR A 81 -5.321 20.675 1.021 1.00 2.34 O ATOM 1284 CB THR A 81 -5.766 17.583 1.616 1.00 62.00 C ATOM 1285 OG1 THR A 81 -7.053 17.643 2.252 1.00 73.52 O ATOM 1286 CG2 THR A 81 -4.670 18.028 2.607 1.00 54.52 C ATOM 0 H THR A 81 -3.755 18.980 0.083 1.00 11.31 H new ATOM 0 HA THR A 81 -6.511 17.962 -0.362 1.00 50.13 H new ATOM 0 HB THR A 81 -5.546 16.554 1.331 1.00 62.00 H new ATOM 0 HG1 THR A 81 -7.035 17.114 3.077 1.00 73.52 H new ATOM 0 HG21 THR A 81 -4.721 17.413 3.506 1.00 54.52 H new ATOM 0 HG22 THR A 81 -3.691 17.912 2.143 1.00 54.52 H new ATOM 0 HG23 THR A 81 -4.823 19.074 2.873 1.00 54.52 H new ATOM 1294 N GLY A 82 -7.385 20.267 0.148 1.00 65.30 N ATOM 1295 CA GLY A 82 -7.837 21.662 0.180 1.00 21.20 C ATOM 1296 C GLY A 82 -7.147 22.498 -0.895 1.00 43.14 C ATOM 1297 O GLY A 82 -7.720 22.780 -1.948 1.00 42.10 O ATOM 0 H GLY A 82 -8.090 19.612 -0.190 1.00 65.30 H new ATOM 0 HA2 GLY A 82 -8.917 21.699 0.034 1.00 21.20 H new ATOM 0 HA3 GLY A 82 -7.633 22.089 1.162 1.00 21.20 H new ATOM 1301 N GLY A 83 -5.898 22.880 -0.604 1.00 72.14 N ATOM 1302 CA GLY A 83 -5.001 23.523 -1.571 1.00 4.35 C ATOM 1303 C GLY A 83 -3.544 23.449 -1.133 1.00 53.20 C ATOM 1304 O GLY A 83 -2.679 24.105 -1.722 1.00 53.45 O ATOM 0 H GLY A 83 -5.478 22.750 0.317 1.00 72.14 H new ATOM 0 HA2 GLY A 83 -5.112 23.043 -2.543 1.00 4.35 H new ATOM 0 HA3 GLY A 83 -5.290 24.567 -1.695 1.00 4.35 H new ATOM 1308 N THR A 84 -3.281 22.642 -0.091 1.00 31.12 N ATOM 1309 CA THR A 84 -1.952 22.493 0.521 1.00 11.44 C ATOM 1310 C THR A 84 -1.268 21.222 -0.027 1.00 53.15 C ATOM 1311 O THR A 84 -1.852 20.131 0.032 1.00 20.32 O ATOM 1312 CB THR A 84 -2.094 22.407 2.077 1.00 32.41 C ATOM 1313 OG1 THR A 84 -2.925 21.290 2.432 1.00 61.41 O ATOM 1314 CG2 THR A 84 -2.696 23.693 2.676 1.00 64.32 C ATOM 0 H THR A 84 -3.996 22.068 0.355 1.00 31.12 H new ATOM 0 HA THR A 84 -1.338 23.358 0.272 1.00 11.44 H new ATOM 0 HB THR A 84 -1.092 22.279 2.486 1.00 32.41 H new ATOM 0 HG1 THR A 84 -3.765 21.334 1.929 1.00 61.41 H new ATOM 0 HG21 THR A 84 -2.776 23.588 3.758 1.00 64.32 H new ATOM 0 HG22 THR A 84 -2.052 24.540 2.440 1.00 64.32 H new ATOM 0 HG23 THR A 84 -3.687 23.862 2.254 1.00 64.32 H new ATOM 1322 N THR A 85 -0.039 21.374 -0.543 1.00 41.40 N ATOM 1323 CA THR A 85 0.733 20.277 -1.159 1.00 25.33 C ATOM 1324 C THR A 85 2.020 20.006 -0.343 1.00 41.33 C ATOM 1325 O THR A 85 2.947 20.823 -0.348 1.00 4.41 O ATOM 1326 CB THR A 85 1.079 20.636 -2.644 1.00 12.12 C ATOM 1327 OG1 THR A 85 -0.130 20.955 -3.350 1.00 50.43 O ATOM 1328 CG2 THR A 85 1.793 19.490 -3.380 1.00 64.13 C ATOM 0 H THR A 85 0.453 22.267 -0.546 1.00 41.40 H new ATOM 0 HA THR A 85 0.130 19.369 -1.155 1.00 25.33 H new ATOM 0 HB THR A 85 1.757 21.489 -2.619 1.00 12.12 H new ATOM 0 HG1 THR A 85 0.084 21.182 -4.279 1.00 50.43 H new ATOM 0 HG21 THR A 85 2.009 19.794 -4.404 1.00 64.13 H new ATOM 0 HG22 THR A 85 2.726 19.254 -2.868 1.00 64.13 H new ATOM 0 HG23 THR A 85 1.152 18.609 -3.390 1.00 64.13 H new ATOM 1336 N THR A 86 2.045 18.864 0.373 1.00 33.14 N ATOM 1337 CA THR A 86 3.168 18.460 1.248 1.00 52.04 C ATOM 1338 C THR A 86 3.567 16.999 0.969 1.00 0.41 C ATOM 1339 O THR A 86 2.701 16.144 0.795 1.00 14.12 O ATOM 1340 CB THR A 86 2.776 18.612 2.765 1.00 21.21 C ATOM 1341 OG1 THR A 86 2.454 19.982 3.038 1.00 70.21 O ATOM 1342 CG2 THR A 86 3.895 18.158 3.729 1.00 42.11 C ATOM 0 H THR A 86 1.280 18.189 0.361 1.00 33.14 H new ATOM 0 HA THR A 86 4.013 19.114 1.032 1.00 52.04 H new ATOM 0 HB THR A 86 1.917 17.963 2.936 1.00 21.21 H new ATOM 0 HG1 THR A 86 2.208 20.078 3.982 1.00 70.21 H new ATOM 0 HG21 THR A 86 3.563 18.288 4.759 1.00 42.11 H new ATOM 0 HG22 THR A 86 4.124 17.107 3.551 1.00 42.11 H new ATOM 0 HG23 THR A 86 4.789 18.758 3.558 1.00 42.11 H new ATOM 1350 N ASN A 87 4.887 16.730 0.959 1.00 50.04 N ATOM 1351 CA ASN A 87 5.429 15.367 0.844 1.00 62.12 C ATOM 1352 C ASN A 87 5.317 14.650 2.203 1.00 72.12 C ATOM 1353 O ASN A 87 5.916 15.078 3.200 1.00 42.05 O ATOM 1354 CB ASN A 87 6.908 15.402 0.372 1.00 51.22 C ATOM 1355 CG ASN A 87 7.073 15.790 -1.094 1.00 3.12 C ATOM 1356 OD1 ASN A 87 7.250 16.956 -1.422 1.00 54.03 O ATOM 1357 ND2 ASN A 87 6.996 14.818 -1.995 1.00 23.45 N ATOM 0 H ASN A 87 5.604 17.452 1.030 1.00 50.04 H new ATOM 0 HA ASN A 87 4.850 14.819 0.101 1.00 62.12 H new ATOM 0 HB2 ASN A 87 7.461 16.109 0.991 1.00 51.22 H new ATOM 0 HB3 ASN A 87 7.355 14.421 0.532 1.00 51.22 H new ATOM 0 HD21 ASN A 87 7.085 15.035 -2.988 1.00 23.45 H new ATOM 0 HD22 ASN A 87 6.848 13.855 -1.694 1.00 23.45 H new ATOM 1364 N THR A 88 4.509 13.585 2.230 1.00 42.34 N ATOM 1365 CA THR A 88 4.307 12.729 3.406 1.00 51.34 C ATOM 1366 C THR A 88 4.808 11.318 3.077 1.00 41.31 C ATOM 1367 O THR A 88 4.325 10.688 2.120 1.00 43.51 O ATOM 1368 CB THR A 88 2.799 12.682 3.803 1.00 52.32 C ATOM 1369 OG1 THR A 88 2.278 14.010 3.850 1.00 40.30 O ATOM 1370 CG2 THR A 88 2.566 12.003 5.163 1.00 32.35 C ATOM 0 H THR A 88 3.966 13.287 1.420 1.00 42.34 H new ATOM 0 HA THR A 88 4.864 13.137 4.250 1.00 51.34 H new ATOM 0 HB THR A 88 2.285 12.089 3.046 1.00 52.32 H new ATOM 0 HG1 THR A 88 1.317 13.992 3.657 1.00 40.30 H new ATOM 0 HG21 THR A 88 1.500 11.998 5.389 1.00 32.35 H new ATOM 0 HG22 THR A 88 2.934 10.978 5.126 1.00 32.35 H new ATOM 0 HG23 THR A 88 3.099 12.551 5.940 1.00 32.35 H new ATOM 1378 N THR A 89 5.774 10.825 3.861 1.00 65.02 N ATOM 1379 CA THR A 89 6.402 9.526 3.617 1.00 75.05 C ATOM 1380 C THR A 89 5.616 8.420 4.336 1.00 72.11 C ATOM 1381 O THR A 89 5.410 8.493 5.547 1.00 1.30 O ATOM 1382 CB THR A 89 7.885 9.521 4.110 1.00 44.30 C ATOM 1383 OG1 THR A 89 8.568 10.675 3.606 1.00 32.24 O ATOM 1384 CG2 THR A 89 8.634 8.243 3.668 1.00 13.42 C ATOM 0 H THR A 89 6.139 11.314 4.678 1.00 65.02 H new ATOM 0 HA THR A 89 6.393 9.340 2.543 1.00 75.05 H new ATOM 0 HB THR A 89 7.871 9.542 5.200 1.00 44.30 H new ATOM 0 HG1 THR A 89 8.076 11.037 2.839 1.00 32.24 H new ATOM 0 HG21 THR A 89 9.661 8.279 4.031 1.00 13.42 H new ATOM 0 HG22 THR A 89 8.134 7.367 4.081 1.00 13.42 H new ATOM 0 HG23 THR A 89 8.636 8.180 2.580 1.00 13.42 H new ATOM 1392 N TYR A 90 5.148 7.420 3.587 1.00 54.20 N ATOM 1393 CA TYR A 90 4.495 6.228 4.147 1.00 74.02 C ATOM 1394 C TYR A 90 5.452 5.036 4.029 1.00 23.52 C ATOM 1395 O TYR A 90 5.962 4.758 2.950 1.00 72.04 O ATOM 1396 CB TYR A 90 3.157 5.949 3.412 1.00 55.01 C ATOM 1397 CG TYR A 90 2.081 7.019 3.672 1.00 21.35 C ATOM 1398 CD1 TYR A 90 1.073 6.812 4.618 1.00 14.21 C ATOM 1399 CD2 TYR A 90 2.086 8.237 2.985 1.00 75.12 C ATOM 1400 CE1 TYR A 90 0.119 7.778 4.866 1.00 32.00 C ATOM 1401 CE2 TYR A 90 1.136 9.200 3.226 1.00 33.33 C ATOM 1402 CZ TYR A 90 0.154 8.970 4.164 1.00 22.12 C ATOM 1403 OH TYR A 90 -0.782 9.941 4.419 1.00 33.03 O ATOM 0 H TYR A 90 5.210 7.411 2.569 1.00 54.20 H new ATOM 0 HA TYR A 90 4.262 6.393 5.199 1.00 74.02 H new ATOM 0 HB2 TYR A 90 3.346 5.887 2.340 1.00 55.01 H new ATOM 0 HB3 TYR A 90 2.775 4.977 3.725 1.00 55.01 H new ATOM 0 HD1 TYR A 90 1.040 5.881 5.164 1.00 14.21 H new ATOM 0 HD2 TYR A 90 2.853 8.425 2.249 1.00 75.12 H new ATOM 0 HE1 TYR A 90 -0.650 7.605 5.604 1.00 32.00 H new ATOM 0 HE2 TYR A 90 1.159 10.133 2.682 1.00 33.33 H new ATOM 0 HH TYR A 90 -0.425 10.816 4.159 1.00 33.03 H new ATOM 1413 N GLU A 91 5.720 4.351 5.155 1.00 43.10 N ATOM 1414 CA GLU A 91 6.535 3.130 5.178 1.00 61.11 C ATOM 1415 C GLU A 91 5.603 1.945 5.432 1.00 12.21 C ATOM 1416 O GLU A 91 5.121 1.757 6.551 1.00 41.33 O ATOM 1417 CB GLU A 91 7.620 3.225 6.285 1.00 41.41 C ATOM 1418 CG GLU A 91 8.607 4.398 6.112 1.00 21.50 C ATOM 1419 CD GLU A 91 9.614 4.491 7.266 1.00 41.34 C ATOM 1420 OE1 GLU A 91 10.747 3.977 7.135 1.00 33.41 O ATOM 1421 OE2 GLU A 91 9.252 5.040 8.332 1.00 62.53 O ATOM 0 H GLU A 91 5.376 4.631 6.073 1.00 43.10 H new ATOM 0 HA GLU A 91 7.049 3.000 4.226 1.00 61.11 H new ATOM 0 HB2 GLU A 91 7.127 3.321 7.252 1.00 41.41 H new ATOM 0 HB3 GLU A 91 8.183 2.292 6.305 1.00 41.41 H new ATOM 0 HG2 GLU A 91 9.146 4.280 5.172 1.00 21.50 H new ATOM 0 HG3 GLU A 91 8.049 5.332 6.044 1.00 21.50 H new ATOM 1428 N LEU A 92 5.305 1.189 4.372 1.00 21.42 N ATOM 1429 CA LEU A 92 4.456 -0.003 4.440 1.00 54.01 C ATOM 1430 C LEU A 92 5.374 -1.221 4.589 1.00 33.14 C ATOM 1431 O LEU A 92 6.074 -1.604 3.650 1.00 23.30 O ATOM 1432 CB LEU A 92 3.543 -0.119 3.182 1.00 21.31 C ATOM 1433 CG LEU A 92 2.490 1.030 2.972 1.00 22.34 C ATOM 1434 CD1 LEU A 92 3.138 2.343 2.499 1.00 41.01 C ATOM 1435 CD2 LEU A 92 1.361 0.598 2.017 1.00 45.01 C ATOM 0 H LEU A 92 5.650 1.389 3.433 1.00 21.42 H new ATOM 0 HA LEU A 92 3.785 0.060 5.296 1.00 54.01 H new ATOM 0 HB2 LEU A 92 4.182 -0.162 2.300 1.00 21.31 H new ATOM 0 HB3 LEU A 92 3.008 -1.067 3.235 1.00 21.31 H new ATOM 0 HG LEU A 92 2.049 1.224 3.950 1.00 22.34 H new ATOM 0 HD11 LEU A 92 2.367 3.103 2.369 1.00 41.01 H new ATOM 0 HD12 LEU A 92 3.860 2.681 3.243 1.00 41.01 H new ATOM 0 HD13 LEU A 92 3.647 2.176 1.549 1.00 41.01 H new ATOM 0 HD21 LEU A 92 0.653 1.418 1.896 1.00 45.01 H new ATOM 0 HD22 LEU A 92 1.785 0.339 1.047 1.00 45.01 H new ATOM 0 HD23 LEU A 92 0.846 -0.269 2.431 1.00 45.01 H new ATOM 1447 N ARG A 93 5.390 -1.783 5.800 1.00 71.24 N ATOM 1448 CA ARG A 93 6.272 -2.886 6.185 1.00 14.24 C ATOM 1449 C ARG A 93 5.556 -4.237 5.973 1.00 63.11 C ATOM 1450 O ARG A 93 4.728 -4.648 6.791 1.00 13.41 O ATOM 1451 CB ARG A 93 6.685 -2.690 7.671 1.00 63.00 C ATOM 1452 CG ARG A 93 7.527 -3.829 8.264 1.00 43.32 C ATOM 1453 CD ARG A 93 7.977 -3.570 9.703 1.00 42.51 C ATOM 1454 NE ARG A 93 8.900 -2.432 9.797 1.00 33.52 N ATOM 1455 CZ ARG A 93 9.553 -2.069 10.904 1.00 35.44 C ATOM 1456 NH1 ARG A 93 9.402 -2.733 12.048 1.00 74.22 N ATOM 1457 NH2 ARG A 93 10.357 -1.030 10.869 1.00 71.54 N ATOM 0 H ARG A 93 4.777 -1.477 6.556 1.00 71.24 H new ATOM 0 HA ARG A 93 7.168 -2.891 5.564 1.00 14.24 H new ATOM 0 HB2 ARG A 93 7.247 -1.760 7.757 1.00 63.00 H new ATOM 0 HB3 ARG A 93 5.783 -2.574 8.271 1.00 63.00 H new ATOM 0 HG2 ARG A 93 6.948 -4.752 8.233 1.00 43.32 H new ATOM 0 HG3 ARG A 93 8.406 -3.983 7.639 1.00 43.32 H new ATOM 0 HD2 ARG A 93 7.104 -3.380 10.327 1.00 42.51 H new ATOM 0 HD3 ARG A 93 8.462 -4.463 10.097 1.00 42.51 H new ATOM 0 HE ARG A 93 9.054 -1.878 8.955 1.00 33.52 H new ATOM 0 HH11 ARG A 93 8.777 -3.538 12.092 1.00 74.22 H new ATOM 0 HH12 ARG A 93 9.911 -2.437 12.881 1.00 74.22 H new ATOM 0 HH21 ARG A 93 10.478 -0.508 10.001 1.00 71.54 H new ATOM 0 HH22 ARG A 93 10.860 -0.746 11.710 1.00 71.54 H new ATOM 1471 N PHE A 94 5.874 -4.896 4.857 1.00 60.34 N ATOM 1472 CA PHE A 94 5.301 -6.194 4.486 1.00 45.24 C ATOM 1473 C PHE A 94 6.183 -7.337 5.024 1.00 62.54 C ATOM 1474 O PHE A 94 7.298 -7.539 4.538 1.00 72.44 O ATOM 1475 CB PHE A 94 5.187 -6.284 2.940 1.00 53.22 C ATOM 1476 CG PHE A 94 4.227 -5.261 2.320 1.00 43.23 C ATOM 1477 CD1 PHE A 94 4.677 -3.999 1.932 1.00 41.02 C ATOM 1478 CD2 PHE A 94 2.882 -5.568 2.123 1.00 22.02 C ATOM 1479 CE1 PHE A 94 3.814 -3.085 1.366 1.00 14.11 C ATOM 1480 CE2 PHE A 94 2.021 -4.648 1.557 1.00 14.32 C ATOM 1481 CZ PHE A 94 2.488 -3.406 1.182 1.00 41.42 C ATOM 0 H PHE A 94 6.545 -4.540 4.176 1.00 60.34 H new ATOM 0 HA PHE A 94 4.308 -6.289 4.925 1.00 45.24 H new ATOM 0 HB2 PHE A 94 6.177 -6.146 2.505 1.00 53.22 H new ATOM 0 HB3 PHE A 94 4.856 -7.287 2.669 1.00 53.22 H new ATOM 0 HD1 PHE A 94 5.714 -3.735 2.077 1.00 41.02 H new ATOM 0 HD2 PHE A 94 2.508 -6.538 2.417 1.00 22.02 H new ATOM 0 HE1 PHE A 94 4.179 -2.114 1.066 1.00 14.11 H new ATOM 0 HE2 PHE A 94 0.982 -4.902 1.408 1.00 14.32 H new ATOM 0 HZ PHE A 94 1.814 -2.685 0.744 1.00 41.42 H new ATOM 1491 N GLU A 95 5.684 -8.069 6.032 1.00 54.44 N ATOM 1492 CA GLU A 95 6.372 -9.248 6.583 1.00 71.50 C ATOM 1493 C GLU A 95 5.980 -10.490 5.768 1.00 74.30 C ATOM 1494 O GLU A 95 4.794 -10.717 5.509 1.00 40.20 O ATOM 1495 CB GLU A 95 6.013 -9.446 8.072 1.00 34.33 C ATOM 1496 CG GLU A 95 6.657 -10.699 8.722 1.00 25.44 C ATOM 1497 CD GLU A 95 6.189 -10.934 10.159 1.00 11.20 C ATOM 1498 OE1 GLU A 95 6.986 -10.756 11.102 1.00 15.51 O ATOM 1499 OE2 GLU A 95 4.993 -11.243 10.347 1.00 52.43 O ATOM 0 H GLU A 95 4.795 -7.862 6.487 1.00 54.44 H new ATOM 0 HA GLU A 95 7.449 -9.095 6.516 1.00 71.50 H new ATOM 0 HB2 GLU A 95 6.323 -8.562 8.629 1.00 34.33 H new ATOM 0 HB3 GLU A 95 4.929 -9.518 8.166 1.00 34.33 H new ATOM 0 HG2 GLU A 95 6.419 -11.576 8.120 1.00 25.44 H new ATOM 0 HG3 GLU A 95 7.741 -10.590 8.712 1.00 25.44 H new ATOM 1506 N VAL A 96 6.982 -11.305 5.406 1.00 22.42 N ATOM 1507 CA VAL A 96 6.799 -12.483 4.534 1.00 71.50 C ATOM 1508 C VAL A 96 6.359 -13.705 5.375 1.00 14.23 C ATOM 1509 O VAL A 96 6.683 -13.800 6.567 1.00 53.44 O ATOM 1510 CB VAL A 96 8.116 -12.807 3.706 1.00 1.12 C ATOM 1511 CG1 VAL A 96 8.771 -11.506 3.182 1.00 41.43 C ATOM 1512 CG2 VAL A 96 9.143 -13.662 4.498 1.00 73.41 C ATOM 0 H VAL A 96 7.946 -11.168 5.709 1.00 22.42 H new ATOM 0 HA VAL A 96 6.014 -12.253 3.814 1.00 71.50 H new ATOM 0 HB VAL A 96 7.802 -13.413 2.856 1.00 1.12 H new ATOM 0 HG11 VAL A 96 9.671 -11.753 2.618 1.00 41.43 H new ATOM 0 HG12 VAL A 96 8.069 -10.981 2.534 1.00 41.43 H new ATOM 0 HG13 VAL A 96 9.035 -10.867 4.024 1.00 41.43 H new ATOM 0 HG21 VAL A 96 10.019 -13.847 3.876 1.00 73.41 H new ATOM 0 HG22 VAL A 96 9.444 -13.127 5.399 1.00 73.41 H new ATOM 0 HG23 VAL A 96 8.688 -14.612 4.776 1.00 73.41 H new ATOM 1522 N ASP A 97 5.572 -14.596 4.754 1.00 12.24 N ATOM 1523 CA ASP A 97 5.140 -15.868 5.355 1.00 25.42 C ATOM 1524 C ASP A 97 4.829 -16.871 4.226 1.00 53.12 C ATOM 1525 O ASP A 97 3.789 -16.768 3.563 1.00 15.43 O ATOM 1526 CB ASP A 97 3.899 -15.647 6.260 1.00 41.05 C ATOM 1527 CG ASP A 97 3.409 -16.935 6.953 1.00 42.30 C ATOM 1528 OD1 ASP A 97 4.061 -17.384 7.921 1.00 22.41 O ATOM 1529 OD2 ASP A 97 2.372 -17.507 6.537 1.00 25.45 O ATOM 0 H ASP A 97 5.213 -14.453 3.810 1.00 12.24 H new ATOM 0 HA ASP A 97 5.936 -16.269 5.982 1.00 25.42 H new ATOM 0 HB2 ASP A 97 4.140 -14.904 7.020 1.00 41.05 H new ATOM 0 HB3 ASP A 97 3.088 -15.236 5.658 1.00 41.05 H new ATOM 1534 N GLY A 98 5.754 -17.818 3.999 1.00 60.44 N ATOM 1535 CA GLY A 98 5.623 -18.795 2.920 1.00 53.40 C ATOM 1536 C GLY A 98 5.971 -18.189 1.563 1.00 0.02 C ATOM 1537 O GLY A 98 7.101 -17.736 1.359 1.00 22.13 O ATOM 0 H GLY A 98 6.603 -17.923 4.555 1.00 60.44 H new ATOM 0 HA2 GLY A 98 6.277 -19.645 3.117 1.00 53.40 H new ATOM 0 HA3 GLY A 98 4.602 -19.177 2.897 1.00 53.40 H new ATOM 1541 N ASP A 99 4.991 -18.170 0.645 1.00 52.23 N ATOM 1542 CA ASP A 99 5.116 -17.522 -0.685 1.00 1.22 C ATOM 1543 C ASP A 99 4.093 -16.374 -0.806 1.00 15.21 C ATOM 1544 O ASP A 99 3.788 -15.912 -1.911 1.00 71.23 O ATOM 1545 CB ASP A 99 4.921 -18.573 -1.813 1.00 44.55 C ATOM 1546 CG ASP A 99 3.476 -19.107 -1.925 1.00 63.31 C ATOM 1547 OD1 ASP A 99 2.800 -18.858 -2.952 1.00 54.32 O ATOM 1548 OD2 ASP A 99 2.993 -19.756 -0.974 1.00 4.34 O ATOM 0 H ASP A 99 4.081 -18.605 0.799 1.00 52.23 H new ATOM 0 HA ASP A 99 6.116 -17.100 -0.790 1.00 1.22 H new ATOM 0 HB2 ASP A 99 5.209 -18.128 -2.765 1.00 44.55 H new ATOM 0 HB3 ASP A 99 5.595 -19.411 -1.636 1.00 44.55 H new ATOM 1553 N THR A 100 3.616 -15.892 0.348 1.00 72.14 N ATOM 1554 CA THR A 100 2.640 -14.788 0.449 1.00 32.34 C ATOM 1555 C THR A 100 3.039 -13.865 1.613 1.00 42.50 C ATOM 1556 O THR A 100 3.940 -14.186 2.394 1.00 41.44 O ATOM 1557 CB THR A 100 1.177 -15.334 0.646 1.00 72.30 C ATOM 1558 OG1 THR A 100 0.226 -14.251 0.670 1.00 64.52 O ATOM 1559 CG2 THR A 100 1.032 -16.159 1.933 1.00 75.54 C ATOM 0 H THR A 100 3.899 -16.261 1.256 1.00 72.14 H new ATOM 0 HA THR A 100 2.651 -14.222 -0.482 1.00 32.34 H new ATOM 0 HB THR A 100 0.973 -15.987 -0.203 1.00 72.30 H new ATOM 0 HG1 THR A 100 -0.677 -14.611 0.792 1.00 64.52 H new ATOM 0 HG21 THR A 100 0.005 -16.514 2.024 1.00 75.54 H new ATOM 0 HG22 THR A 100 1.709 -17.013 1.896 1.00 75.54 H new ATOM 0 HG23 THR A 100 1.279 -15.537 2.794 1.00 75.54 H new ATOM 1567 N ILE A 101 2.400 -12.700 1.684 1.00 24.31 N ATOM 1568 CA ILE A 101 2.608 -11.712 2.754 1.00 14.55 C ATOM 1569 C ILE A 101 1.368 -11.702 3.665 1.00 71.32 C ATOM 1570 O ILE A 101 0.243 -11.563 3.182 1.00 51.10 O ATOM 1571 CB ILE A 101 2.846 -10.287 2.142 1.00 63.43 C ATOM 1572 CG1 ILE A 101 4.034 -10.308 1.130 1.00 11.22 C ATOM 1573 CG2 ILE A 101 3.064 -9.230 3.252 1.00 52.53 C ATOM 1574 CD1 ILE A 101 4.198 -9.041 0.303 1.00 0.23 C ATOM 0 H ILE A 101 1.711 -12.406 0.992 1.00 24.31 H new ATOM 0 HA ILE A 101 3.489 -11.981 3.336 1.00 14.55 H new ATOM 0 HB ILE A 101 1.949 -10.001 1.593 1.00 63.43 H new ATOM 0 HG12 ILE A 101 4.958 -10.486 1.681 1.00 11.22 H new ATOM 0 HG13 ILE A 101 3.899 -11.151 0.452 1.00 11.22 H new ATOM 0 HG21 ILE A 101 3.226 -8.253 2.797 1.00 52.53 H new ATOM 0 HG22 ILE A 101 2.184 -9.190 3.894 1.00 52.53 H new ATOM 0 HG23 ILE A 101 3.935 -9.502 3.848 1.00 52.53 H new ATOM 0 HD11 ILE A 101 5.049 -9.153 -0.369 1.00 0.23 H new ATOM 0 HD12 ILE A 101 3.294 -8.868 -0.281 1.00 0.23 H new ATOM 0 HD13 ILE A 101 4.369 -8.193 0.966 1.00 0.23 H new ATOM 1586 N ARG A 102 1.582 -11.849 4.984 1.00 53.21 N ATOM 1587 CA ARG A 102 0.487 -11.982 5.976 1.00 1.42 C ATOM 1588 C ARG A 102 0.437 -10.799 6.957 1.00 55.03 C ATOM 1589 O ARG A 102 -0.374 -10.814 7.897 1.00 60.30 O ATOM 1590 CB ARG A 102 0.640 -13.322 6.744 1.00 51.44 C ATOM 1591 CG ARG A 102 0.462 -14.581 5.876 1.00 73.31 C ATOM 1592 CD ARG A 102 -0.927 -14.656 5.244 1.00 5.15 C ATOM 1593 NE ARG A 102 -1.136 -15.910 4.521 1.00 62.24 N ATOM 1594 CZ ARG A 102 -2.145 -16.142 3.674 1.00 52.14 C ATOM 1595 NH1 ARG A 102 -3.059 -15.206 3.419 1.00 23.02 N ATOM 1596 NH2 ARG A 102 -2.238 -17.317 3.091 1.00 30.13 N ATOM 0 H ARG A 102 2.514 -11.880 5.397 1.00 53.21 H new ATOM 0 HA ARG A 102 -0.457 -11.977 5.431 1.00 1.42 H new ATOM 0 HB2 ARG A 102 1.627 -13.351 7.205 1.00 51.44 H new ATOM 0 HB3 ARG A 102 -0.090 -13.348 7.553 1.00 51.44 H new ATOM 0 HG2 ARG A 102 1.217 -14.588 5.090 1.00 73.31 H new ATOM 0 HG3 ARG A 102 0.629 -15.468 6.487 1.00 73.31 H new ATOM 0 HD2 ARG A 102 -1.684 -14.556 6.022 1.00 5.15 H new ATOM 0 HD3 ARG A 102 -1.059 -13.818 4.560 1.00 5.15 H new ATOM 0 HE ARG A 102 -0.464 -16.662 4.674 1.00 62.24 H new ATOM 0 HH11 ARG A 102 -2.996 -14.295 3.873 1.00 23.02 H new ATOM 0 HH12 ARG A 102 -3.821 -15.401 2.770 1.00 23.02 H new ATOM 0 HH21 ARG A 102 -1.545 -18.040 3.287 1.00 30.13 H new ATOM 0 HH22 ARG A 102 -3.003 -17.506 2.443 1.00 30.13 H new ATOM 1610 N ARG A 103 1.278 -9.776 6.736 1.00 34.24 N ATOM 1611 CA ARG A 103 1.301 -8.585 7.596 1.00 10.14 C ATOM 1612 C ARG A 103 1.808 -7.370 6.818 1.00 51.53 C ATOM 1613 O ARG A 103 2.787 -7.469 6.082 1.00 21.10 O ATOM 1614 CB ARG A 103 2.179 -8.827 8.857 1.00 31.11 C ATOM 1615 CG ARG A 103 2.109 -7.687 9.900 1.00 53.11 C ATOM 1616 CD ARG A 103 2.805 -8.022 11.229 1.00 23.25 C ATOM 1617 NE ARG A 103 4.250 -8.255 11.088 1.00 62.23 N ATOM 1618 CZ ARG A 103 5.200 -7.303 11.104 1.00 63.53 C ATOM 1619 NH1 ARG A 103 4.888 -6.011 11.253 1.00 32.24 N ATOM 1620 NH2 ARG A 103 6.468 -7.655 11.037 1.00 35.13 N ATOM 0 H ARG A 103 1.950 -9.751 5.969 1.00 34.24 H new ATOM 0 HA ARG A 103 0.281 -8.386 7.924 1.00 10.14 H new ATOM 0 HB2 ARG A 103 1.868 -9.758 9.330 1.00 31.11 H new ATOM 0 HB3 ARG A 103 3.215 -8.958 8.546 1.00 31.11 H new ATOM 0 HG2 ARG A 103 2.564 -6.791 9.477 1.00 53.11 H new ATOM 0 HG3 ARG A 103 1.063 -7.450 10.097 1.00 53.11 H new ATOM 0 HD2 ARG A 103 2.643 -7.205 11.932 1.00 23.25 H new ATOM 0 HD3 ARG A 103 2.342 -8.909 11.660 1.00 23.25 H new ATOM 0 HE ARG A 103 4.558 -9.220 10.968 1.00 62.23 H new ATOM 0 HH11 ARG A 103 3.913 -5.731 11.357 1.00 32.24 H new ATOM 0 HH12 ARG A 103 5.625 -5.306 11.262 1.00 32.24 H new ATOM 0 HH21 ARG A 103 6.721 -8.641 10.974 1.00 35.13 H new ATOM 0 HH22 ARG A 103 7.197 -6.941 11.048 1.00 35.13 H new ATOM 1634 N VAL A 104 1.107 -6.236 6.983 1.00 31.53 N ATOM 1635 CA VAL A 104 1.531 -4.918 6.481 1.00 34.14 C ATOM 1636 C VAL A 104 1.357 -3.873 7.601 1.00 54.51 C ATOM 1637 O VAL A 104 0.302 -3.807 8.244 1.00 51.22 O ATOM 1638 CB VAL A 104 0.744 -4.479 5.181 1.00 64.11 C ATOM 1639 CG1 VAL A 104 -0.786 -4.508 5.377 1.00 1.34 C ATOM 1640 CG2 VAL A 104 1.217 -3.085 4.678 1.00 23.14 C ATOM 0 H VAL A 104 0.215 -6.209 7.477 1.00 31.53 H new ATOM 0 HA VAL A 104 2.580 -4.989 6.194 1.00 34.14 H new ATOM 0 HB VAL A 104 0.978 -5.216 4.412 1.00 64.11 H new ATOM 0 HG11 VAL A 104 -1.277 -4.198 4.455 1.00 1.34 H new ATOM 0 HG12 VAL A 104 -1.101 -5.520 5.633 1.00 1.34 H new ATOM 0 HG13 VAL A 104 -1.063 -3.827 6.182 1.00 1.34 H new ATOM 0 HG21 VAL A 104 0.657 -2.812 3.784 1.00 23.14 H new ATOM 0 HG22 VAL A 104 1.045 -2.340 5.455 1.00 23.14 H new ATOM 0 HG23 VAL A 104 2.280 -3.125 4.442 1.00 23.14 H new ATOM 1650 N THR A 105 2.411 -3.086 7.860 1.00 72.21 N ATOM 1651 CA THR A 105 2.366 -1.998 8.842 1.00 25.24 C ATOM 1652 C THR A 105 2.589 -0.666 8.106 1.00 63.34 C ATOM 1653 O THR A 105 3.711 -0.349 7.720 1.00 12.22 O ATOM 1654 CB THR A 105 3.465 -2.204 9.940 1.00 5.23 C ATOM 1655 OG1 THR A 105 3.416 -3.553 10.433 1.00 2.23 O ATOM 1656 CG2 THR A 105 3.292 -1.223 11.113 1.00 61.54 C ATOM 0 H THR A 105 3.314 -3.186 7.396 1.00 72.21 H new ATOM 0 HA THR A 105 1.395 -1.990 9.337 1.00 25.24 H new ATOM 0 HB THR A 105 4.433 -2.010 9.478 1.00 5.23 H new ATOM 0 HG1 THR A 105 3.859 -3.598 11.306 1.00 2.23 H new ATOM 0 HG21 THR A 105 4.073 -1.399 11.852 1.00 61.54 H new ATOM 0 HG22 THR A 105 3.364 -0.200 10.745 1.00 61.54 H new ATOM 0 HG23 THR A 105 2.316 -1.375 11.574 1.00 61.54 H new ATOM 1664 N VAL A 106 1.508 0.101 7.918 1.00 63.54 N ATOM 1665 CA VAL A 106 1.543 1.387 7.207 1.00 42.43 C ATOM 1666 C VAL A 106 1.889 2.498 8.211 1.00 42.01 C ATOM 1667 O VAL A 106 1.134 2.740 9.160 1.00 64.31 O ATOM 1668 CB VAL A 106 0.169 1.698 6.502 1.00 32.54 C ATOM 1669 CG1 VAL A 106 0.250 3.004 5.672 1.00 33.34 C ATOM 1670 CG2 VAL A 106 -0.291 0.503 5.624 1.00 43.33 C ATOM 0 H VAL A 106 0.580 -0.153 8.256 1.00 63.54 H new ATOM 0 HA VAL A 106 2.302 1.336 6.427 1.00 42.43 H new ATOM 0 HB VAL A 106 -0.579 1.846 7.281 1.00 32.54 H new ATOM 0 HG11 VAL A 106 -0.713 3.193 5.197 1.00 33.34 H new ATOM 0 HG12 VAL A 106 0.501 3.837 6.328 1.00 33.34 H new ATOM 0 HG13 VAL A 106 1.019 2.901 4.906 1.00 33.34 H new ATOM 0 HG21 VAL A 106 -1.242 0.745 5.149 1.00 43.33 H new ATOM 0 HG22 VAL A 106 0.458 0.306 4.857 1.00 43.33 H new ATOM 0 HG23 VAL A 106 -0.412 -0.382 6.249 1.00 43.33 H new ATOM 1680 N THR A 107 3.031 3.160 7.994 1.00 53.31 N ATOM 1681 CA THR A 107 3.594 4.110 8.954 1.00 43.12 C ATOM 1682 C THR A 107 3.654 5.516 8.324 1.00 21.14 C ATOM 1683 O THR A 107 4.477 5.767 7.440 1.00 22.12 O ATOM 1684 CB THR A 107 5.023 3.636 9.387 1.00 5.43 C ATOM 1685 OG1 THR A 107 5.009 2.214 9.636 1.00 23.41 O ATOM 1686 CG2 THR A 107 5.511 4.367 10.645 1.00 74.31 C ATOM 0 H THR A 107 3.589 3.051 7.147 1.00 53.31 H new ATOM 0 HA THR A 107 2.959 4.155 9.838 1.00 43.12 H new ATOM 0 HB THR A 107 5.709 3.870 8.573 1.00 5.43 H new ATOM 0 HG1 THR A 107 5.053 1.732 8.784 1.00 23.41 H new ATOM 0 HG21 THR A 107 6.505 4.009 10.911 1.00 74.31 H new ATOM 0 HG22 THR A 107 5.551 5.439 10.450 1.00 74.31 H new ATOM 0 HG23 THR A 107 4.823 4.173 11.468 1.00 74.31 H new ATOM 1694 N GLN A 108 2.755 6.412 8.759 1.00 73.32 N ATOM 1695 CA GLN A 108 2.715 7.806 8.287 1.00 33.44 C ATOM 1696 C GLN A 108 3.825 8.624 8.993 1.00 74.11 C ATOM 1697 O GLN A 108 3.863 8.687 10.226 1.00 50.35 O ATOM 1698 CB GLN A 108 1.320 8.424 8.568 1.00 52.41 C ATOM 1699 CG GLN A 108 1.156 9.873 8.069 1.00 21.44 C ATOM 1700 CD GLN A 108 -0.170 10.519 8.474 1.00 43.45 C ATOM 1701 OE1 GLN A 108 -1.188 9.844 8.643 1.00 23.01 O ATOM 1702 NE2 GLN A 108 -0.172 11.832 8.632 1.00 25.43 N ATOM 0 H GLN A 108 2.035 6.192 9.447 1.00 73.32 H new ATOM 0 HA GLN A 108 2.890 7.829 7.211 1.00 33.44 H new ATOM 0 HB2 GLN A 108 0.559 7.802 8.098 1.00 52.41 H new ATOM 0 HB3 GLN A 108 1.134 8.399 9.642 1.00 52.41 H new ATOM 0 HG2 GLN A 108 1.977 10.476 8.457 1.00 21.44 H new ATOM 0 HG3 GLN A 108 1.238 9.885 6.982 1.00 21.44 H new ATOM 0 HE21 GLN A 108 0.685 12.365 8.485 1.00 25.43 H new ATOM 0 HE22 GLN A 108 -1.031 12.312 8.901 1.00 25.43 H new ATOM 1711 N ASN A 109 4.717 9.233 8.203 1.00 75.04 N ATOM 1712 CA ASN A 109 5.875 10.009 8.697 1.00 51.22 C ATOM 1713 C ASN A 109 5.676 11.487 8.350 1.00 1.44 C ATOM 1714 O ASN A 109 5.148 11.810 7.278 1.00 12.45 O ATOM 1715 CB ASN A 109 7.189 9.491 8.058 1.00 61.21 C ATOM 1716 CG ASN A 109 7.514 8.047 8.447 1.00 5.02 C ATOM 1717 OD1 ASN A 109 8.217 7.807 9.423 1.00 3.21 O ATOM 1718 ND2 ASN A 109 6.989 7.075 7.714 1.00 44.45 N ATOM 0 H ASN A 109 4.659 9.204 7.185 1.00 75.04 H new ATOM 0 HA ASN A 109 5.948 9.891 9.778 1.00 51.22 H new ATOM 0 HB2 ASN A 109 7.111 9.560 6.973 1.00 61.21 H new ATOM 0 HB3 ASN A 109 8.013 10.137 8.360 1.00 61.21 H new ATOM 0 HD21 ASN A 109 7.166 6.100 7.957 1.00 44.45 H new ATOM 0 HD22 ASN A 109 6.408 7.302 6.907 1.00 44.45 H new