USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 686 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 60 MET CE :methyl -165:sc= 0 (180deg=-0.0199) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.053 USER MOD Set 1.3: A 63 ASN : amide:sc= 0 X(o=0.053,f=0.34) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0.437 USER MOD Set 2.2: A 35 SER OG : rot 7:sc= 0.215 USER MOD Set 3.1: A 18 GLN : amide:sc= -1.85 X(o=-2.1,f=-2.3) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -0.227 X(o=-2.1,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.449 X(o=-0.45,f=-0.16) USER MOD Single : A 11 CYS SG : rot 34:sc= 0.37 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.999 K(o=-1,f=-4.5!) USER MOD Single : A 43 MET CE :methyl -173:sc= -1.12 (180deg=-1.32) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.809 X(o=-0.81,f=-0.86!) USER MOD Single : A 59 THR OG1 : rot 80:sc= 0.00186 USER MOD Single : A 64 SER OG : rot 180:sc= -0.267 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -3.8 X(o=-3.8,f=-4.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 16:sc= 0.456! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -160:sc=-0.00587 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.328 -4.865 -20.577 1.00 0.00 N ATOM 2 CA GLY A 1 -15.515 -3.847 -21.216 1.00 0.00 C ATOM 3 C GLY A 1 -15.046 -2.784 -20.242 1.00 0.00 C ATOM 4 O GLY A 1 -15.562 -1.666 -20.237 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.623 -5.568 -21.284 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.774 -5.335 -19.832 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.170 -4.423 -20.156 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.648 -4.317 -21.681 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.089 -3.376 -22.014 1.00 0.00 H new ATOM 8 N SER A 2 -14.067 -3.133 -19.414 1.00 0.00 N ATOM 9 CA SER A 2 -13.532 -2.202 -18.427 1.00 0.00 C ATOM 10 C SER A 2 -14.643 -1.339 -17.836 1.00 0.00 C ATOM 11 O SER A 2 -14.477 -0.133 -17.656 1.00 0.00 O ATOM 12 CB SER A 2 -12.462 -1.312 -19.062 1.00 0.00 C ATOM 13 OG SER A 2 -11.257 -2.029 -19.266 1.00 0.00 O ATOM 0 H SER A 2 -13.628 -4.054 -19.407 1.00 0.00 H new ATOM 0 HA SER A 2 -13.081 -2.783 -17.623 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.824 -0.926 -20.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.273 -0.452 -18.420 1.00 0.00 H new ATOM 0 HG SER A 2 -10.590 -1.438 -19.674 1.00 0.00 H new ATOM 19 N SER A 3 -15.776 -1.967 -17.537 1.00 0.00 N ATOM 20 CA SER A 3 -16.916 -1.257 -16.970 1.00 0.00 C ATOM 21 C SER A 3 -16.829 -1.216 -15.448 1.00 0.00 C ATOM 22 O SER A 3 -16.191 -2.066 -14.828 1.00 0.00 O ATOM 23 CB SER A 3 -18.224 -1.925 -17.399 1.00 0.00 C ATOM 24 OG SER A 3 -19.319 -1.035 -17.266 1.00 0.00 O ATOM 0 H SER A 3 -15.929 -2.966 -17.678 1.00 0.00 H new ATOM 0 HA SER A 3 -16.898 -0.234 -17.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.144 -2.256 -18.434 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.398 -2.814 -16.793 1.00 0.00 H new ATOM 0 HG SER A 3 -20.143 -1.485 -17.548 1.00 0.00 H new ATOM 30 N GLY A 4 -17.475 -0.219 -14.851 1.00 0.00 N ATOM 31 CA GLY A 4 -17.458 -0.084 -13.406 1.00 0.00 C ATOM 32 C GLY A 4 -18.731 0.538 -12.867 1.00 0.00 C ATOM 33 O GLY A 4 -18.861 1.761 -12.819 1.00 0.00 O ATOM 0 H GLY A 4 -18.010 0.497 -15.342 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.317 -1.066 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.605 0.528 -13.111 1.00 0.00 H new ATOM 37 N SER A 5 -19.674 -0.306 -12.461 1.00 0.00 N ATOM 38 CA SER A 5 -20.946 0.168 -11.927 1.00 0.00 C ATOM 39 C SER A 5 -20.764 0.759 -10.533 1.00 0.00 C ATOM 40 O SER A 5 -21.252 1.851 -10.241 1.00 0.00 O ATOM 41 CB SER A 5 -21.961 -0.976 -11.879 1.00 0.00 C ATOM 42 OG SER A 5 -22.317 -1.396 -13.185 1.00 0.00 O ATOM 0 H SER A 5 -19.582 -1.321 -12.492 1.00 0.00 H new ATOM 0 HA SER A 5 -21.320 0.950 -12.588 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.541 -1.816 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.853 -0.653 -11.342 1.00 0.00 H new ATOM 0 HG SER A 5 -22.965 -2.129 -13.128 1.00 0.00 H new ATOM 48 N SER A 6 -20.057 0.030 -9.675 1.00 0.00 N ATOM 49 CA SER A 6 -19.812 0.480 -8.310 1.00 0.00 C ATOM 50 C SER A 6 -18.350 0.275 -7.924 1.00 0.00 C ATOM 51 O SER A 6 -17.796 -0.808 -8.101 1.00 0.00 O ATOM 52 CB SER A 6 -20.719 -0.271 -7.333 1.00 0.00 C ATOM 53 OG SER A 6 -20.643 0.289 -6.033 1.00 0.00 O ATOM 0 H SER A 6 -19.644 -0.875 -9.901 1.00 0.00 H new ATOM 0 HA SER A 6 -20.037 1.545 -8.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.749 -0.236 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.430 -1.321 -7.297 1.00 0.00 H new ATOM 0 HG SER A 6 -21.233 -0.207 -5.428 1.00 0.00 H new ATOM 59 N GLY A 7 -17.732 1.327 -7.395 1.00 0.00 N ATOM 60 CA GLY A 7 -16.340 1.243 -6.992 1.00 0.00 C ATOM 61 C GLY A 7 -15.392 1.697 -8.084 1.00 0.00 C ATOM 62 O GLY A 7 -15.373 1.127 -9.176 1.00 0.00 O ATOM 0 H GLY A 7 -18.170 2.235 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.185 1.854 -6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.106 0.215 -6.716 1.00 0.00 H new ATOM 66 N VAL A 8 -14.604 2.727 -7.792 1.00 0.00 N ATOM 67 CA VAL A 8 -13.649 3.257 -8.758 1.00 0.00 C ATOM 68 C VAL A 8 -12.222 3.157 -8.232 1.00 0.00 C ATOM 69 O VAL A 8 -11.948 3.507 -7.085 1.00 0.00 O ATOM 70 CB VAL A 8 -13.957 4.727 -9.102 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.788 5.609 -7.874 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.066 5.205 -10.238 1.00 0.00 C ATOM 0 H VAL A 8 -14.608 3.211 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.743 2.653 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.994 4.796 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.010 6.644 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.471 5.278 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.762 5.538 -7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.297 6.245 -10.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.021 5.122 -9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.241 4.590 -11.121 1.00 0.00 H new ATOM 82 N GLN A 9 -11.317 2.678 -9.079 1.00 0.00 N ATOM 83 CA GLN A 9 -9.917 2.532 -8.699 1.00 0.00 C ATOM 84 C GLN A 9 -9.069 3.643 -9.308 1.00 0.00 C ATOM 85 O GLN A 9 -9.186 3.946 -10.496 1.00 0.00 O ATOM 86 CB GLN A 9 -9.386 1.167 -9.141 1.00 0.00 C ATOM 87 CG GLN A 9 -9.192 1.048 -10.644 1.00 0.00 C ATOM 88 CD GLN A 9 -8.756 -0.341 -11.068 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.822 -0.498 -11.855 1.00 0.00 O ATOM 90 NE2 GLN A 9 -9.432 -1.358 -10.548 1.00 0.00 N ATOM 0 H GLN A 9 -11.528 2.384 -10.033 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.852 2.604 -7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.434 0.978 -8.644 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.078 0.393 -8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.125 1.302 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.446 1.774 -10.969 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.199 -1.182 -9.899 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.184 -2.316 -10.797 1.00 0.00 H new ATOM 99 N ARG A 10 -8.215 4.246 -8.488 1.00 0.00 N ATOM 100 CA ARG A 10 -7.348 5.325 -8.947 1.00 0.00 C ATOM 101 C ARG A 10 -5.900 4.855 -9.044 1.00 0.00 C ATOM 102 O ARG A 10 -5.506 3.887 -8.392 1.00 0.00 O ATOM 103 CB ARG A 10 -7.444 6.523 -7.999 1.00 0.00 C ATOM 104 CG ARG A 10 -8.581 7.474 -8.334 1.00 0.00 C ATOM 105 CD ARG A 10 -8.786 8.505 -7.235 1.00 0.00 C ATOM 106 NE ARG A 10 -10.046 9.228 -7.391 1.00 0.00 N ATOM 107 CZ ARG A 10 -10.397 10.264 -6.637 1.00 0.00 C ATOM 108 NH1 ARG A 10 -9.588 10.696 -5.681 1.00 0.00 N ATOM 109 NH2 ARG A 10 -11.560 10.869 -6.840 1.00 0.00 N ATOM 0 H ARG A 10 -8.105 4.006 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.681 5.628 -9.940 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.574 6.160 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.503 7.072 -8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.368 7.981 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.501 6.907 -8.479 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.771 8.009 -6.265 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.958 9.214 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.691 8.921 -8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.693 10.233 -5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.860 11.492 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.185 10.539 -7.575 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.829 11.664 -6.261 1.00 0.00 H new ATOM 123 N CYS A 11 -5.113 5.545 -9.861 1.00 0.00 N ATOM 124 CA CYS A 11 -3.708 5.198 -10.044 1.00 0.00 C ATOM 125 C CYS A 11 -2.800 6.303 -9.514 1.00 0.00 C ATOM 126 O CYS A 11 -2.690 7.372 -10.114 1.00 0.00 O ATOM 127 CB CYS A 11 -3.413 4.945 -11.524 1.00 0.00 C ATOM 128 SG CYS A 11 -3.672 6.386 -12.585 1.00 0.00 S ATOM 0 H CYS A 11 -5.424 6.348 -10.408 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.508 4.287 -9.479 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.380 4.613 -11.626 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.046 4.130 -11.875 1.00 0.00 H new ATOM 0 HG CYS A 11 -3.366 7.467 -11.931 1.00 0.00 H new ATOM 134 N VAL A 12 -2.153 6.038 -8.384 1.00 0.00 N ATOM 135 CA VAL A 12 -1.255 7.010 -7.771 1.00 0.00 C ATOM 136 C VAL A 12 0.204 6.647 -8.024 1.00 0.00 C ATOM 137 O VAL A 12 0.529 5.488 -8.284 1.00 0.00 O ATOM 138 CB VAL A 12 -1.491 7.113 -6.253 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.285 5.761 -5.587 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.575 8.163 -5.642 1.00 0.00 C ATOM 0 H VAL A 12 -2.234 5.158 -7.874 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.471 7.974 -8.231 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.523 7.421 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.456 5.854 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.986 5.039 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.265 5.420 -5.763 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.755 8.223 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.464 7.888 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.777 9.132 -6.098 1.00 0.00 H new ATOM 150 N ILE A 13 1.078 7.644 -7.946 1.00 0.00 N ATOM 151 CA ILE A 13 2.503 7.428 -8.165 1.00 0.00 C ATOM 152 C ILE A 13 3.335 8.118 -7.089 1.00 0.00 C ATOM 153 O ILE A 13 3.179 9.315 -6.842 1.00 0.00 O ATOM 154 CB ILE A 13 2.944 7.943 -9.548 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.183 7.211 -10.655 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.445 7.768 -9.724 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.390 7.810 -12.029 1.00 0.00 C ATOM 0 H ILE A 13 0.825 8.609 -7.733 1.00 0.00 H new ATOM 0 HA ILE A 13 2.671 6.352 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 13 2.712 9.006 -9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.497 6.167 -10.672 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.119 7.220 -10.420 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.742 8.136 -10.706 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.970 8.330 -8.952 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.700 6.712 -9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.821 7.240 -12.764 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.049 8.845 -12.030 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.449 7.776 -12.285 1.00 0.00 H new ATOM 169 N ILE A 14 4.219 7.357 -6.454 1.00 0.00 N ATOM 170 CA ILE A 14 5.078 7.896 -5.407 1.00 0.00 C ATOM 171 C ILE A 14 6.551 7.744 -5.771 1.00 0.00 C ATOM 172 O ILE A 14 7.039 6.632 -5.971 1.00 0.00 O ATOM 173 CB ILE A 14 4.821 7.203 -4.056 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.360 7.379 -3.637 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.754 7.758 -2.990 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.935 6.452 -2.520 1.00 0.00 C ATOM 0 H ILE A 14 4.359 6.365 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 14 4.836 8.955 -5.315 1.00 0.00 H new ATOM 0 HB ILE A 14 5.021 6.137 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.203 8.410 -3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.719 7.209 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.560 7.258 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.789 7.585 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.583 8.829 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.888 6.633 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.060 5.417 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.550 6.637 -1.640 1.00 0.00 H new ATOM 188 N GLN A 15 7.254 8.869 -5.854 1.00 0.00 N ATOM 189 CA GLN A 15 8.672 8.860 -6.193 1.00 0.00 C ATOM 190 C GLN A 15 9.530 9.061 -4.949 1.00 0.00 C ATOM 191 O GLN A 15 9.268 9.949 -4.137 1.00 0.00 O ATOM 192 CB GLN A 15 8.978 9.951 -7.221 1.00 0.00 C ATOM 193 CG GLN A 15 8.199 11.236 -6.995 1.00 0.00 C ATOM 194 CD GLN A 15 8.601 12.339 -7.954 1.00 0.00 C ATOM 195 OE1 GLN A 15 7.838 12.711 -8.846 1.00 0.00 O ATOM 196 NE2 GLN A 15 9.806 12.869 -7.775 1.00 0.00 N ATOM 0 H GLN A 15 6.865 9.798 -5.691 1.00 0.00 H new ATOM 0 HA GLN A 15 8.912 7.888 -6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 15 10.045 10.173 -7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.755 9.572 -8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.133 11.034 -7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.355 11.575 -5.971 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.406 12.530 -7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.132 13.615 -8.390 1.00 0.00 H new ATOM 205 N LYS A 16 10.557 8.230 -4.804 1.00 0.00 N ATOM 206 CA LYS A 16 11.456 8.316 -3.659 1.00 0.00 C ATOM 207 C LYS A 16 12.179 9.659 -3.635 1.00 0.00 C ATOM 208 O LYS A 16 12.901 10.003 -4.570 1.00 0.00 O ATOM 209 CB LYS A 16 12.476 7.176 -3.699 1.00 0.00 C ATOM 210 CG LYS A 16 13.419 7.245 -4.888 1.00 0.00 C ATOM 211 CD LYS A 16 14.201 5.953 -5.055 1.00 0.00 C ATOM 212 CE LYS A 16 15.543 6.197 -5.727 1.00 0.00 C ATOM 213 NZ LYS A 16 16.552 6.734 -4.772 1.00 0.00 N ATOM 0 H LYS A 16 10.787 7.489 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 16 10.858 8.229 -2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.062 7.191 -2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.944 6.225 -3.722 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.849 7.446 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.112 8.076 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.360 5.494 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.619 5.248 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.909 5.264 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.414 6.898 -6.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.453 6.887 -5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.214 7.637 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.694 6.054 -3.998 1.00 0.00 H new ATOM 227 N ASP A 17 11.981 10.413 -2.559 1.00 0.00 N ATOM 228 CA ASP A 17 12.616 11.717 -2.412 1.00 0.00 C ATOM 229 C ASP A 17 13.960 11.590 -1.701 1.00 0.00 C ATOM 230 O ASP A 17 14.372 10.493 -1.325 1.00 0.00 O ATOM 231 CB ASP A 17 11.703 12.669 -1.636 1.00 0.00 C ATOM 232 CG ASP A 17 10.641 13.298 -2.516 1.00 0.00 C ATOM 233 OD1 ASP A 17 9.555 12.698 -2.654 1.00 0.00 O ATOM 234 OD2 ASP A 17 10.897 14.389 -3.067 1.00 0.00 O ATOM 0 H ASP A 17 11.386 10.143 -1.776 1.00 0.00 H new ATOM 0 HA ASP A 17 12.789 12.123 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.222 12.125 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.305 13.455 -1.180 1.00 0.00 H new ATOM 239 N GLN A 18 14.639 12.719 -1.523 1.00 0.00 N ATOM 240 CA GLN A 18 15.937 12.732 -0.860 1.00 0.00 C ATOM 241 C GLN A 18 15.916 11.867 0.395 1.00 0.00 C ATOM 242 O GLN A 18 16.933 11.289 0.781 1.00 0.00 O ATOM 243 CB GLN A 18 16.334 14.165 -0.499 1.00 0.00 C ATOM 244 CG GLN A 18 15.402 14.820 0.506 1.00 0.00 C ATOM 245 CD GLN A 18 14.146 15.374 -0.137 1.00 0.00 C ATOM 246 OE1 GLN A 18 13.031 15.090 0.303 1.00 0.00 O ATOM 247 NE2 GLN A 18 14.319 16.170 -1.186 1.00 0.00 N ATOM 0 H GLN A 18 14.312 13.635 -1.829 1.00 0.00 H new ATOM 0 HA GLN A 18 16.674 12.321 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.346 14.162 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.356 14.767 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 18 15.124 14.091 1.267 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.931 15.626 1.015 1.00 0.00 H new ATOM 0 HE21 GLN A 18 15.261 16.379 -1.518 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.510 16.572 -1.660 1.00 0.00 H new ATOM 256 N HIS A 19 14.751 11.782 1.030 1.00 0.00 N ATOM 257 CA HIS A 19 14.598 10.986 2.243 1.00 0.00 C ATOM 258 C HIS A 19 14.251 9.539 1.903 1.00 0.00 C ATOM 259 O HIS A 19 14.628 8.615 2.621 1.00 0.00 O ATOM 260 CB HIS A 19 13.513 11.586 3.138 1.00 0.00 C ATOM 261 CG HIS A 19 13.926 12.862 3.805 1.00 0.00 C ATOM 262 ND1 HIS A 19 14.764 12.903 4.899 1.00 0.00 N ATOM 263 CD2 HIS A 19 13.612 14.149 3.525 1.00 0.00 C ATOM 264 CE1 HIS A 19 14.947 14.159 5.264 1.00 0.00 C ATOM 265 NE2 HIS A 19 14.258 14.935 4.447 1.00 0.00 N ATOM 0 H HIS A 19 13.900 12.254 0.725 1.00 0.00 H new ATOM 0 HA HIS A 19 15.548 10.997 2.778 1.00 0.00 H new ATOM 0 HB2 HIS A 19 12.621 11.770 2.540 1.00 0.00 H new ATOM 0 HB3 HIS A 19 13.240 10.858 3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 19 12.973 14.493 2.726 1.00 0.00 H new ATOM 0 HE1 HIS A 19 15.556 14.494 6.090 1.00 0.00 H new ATOM 0 HE2 HIS A 19 14.213 15.953 4.493 1.00 0.00 H new ATOM 274 N GLY A 20 13.528 9.352 0.803 1.00 0.00 N ATOM 275 CA GLY A 20 13.141 8.016 0.388 1.00 0.00 C ATOM 276 C GLY A 20 11.723 7.670 0.797 1.00 0.00 C ATOM 277 O GLY A 20 11.168 8.275 1.715 1.00 0.00 O ATOM 0 H GLY A 20 13.203 10.101 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.234 7.934 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.829 7.290 0.823 1.00 0.00 H new ATOM 281 N PHE A 21 11.133 6.695 0.113 1.00 0.00 N ATOM 282 CA PHE A 21 9.769 6.271 0.408 1.00 0.00 C ATOM 283 C PHE A 21 9.491 6.339 1.907 1.00 0.00 C ATOM 284 O PHE A 21 10.398 6.193 2.725 1.00 0.00 O ATOM 285 CB PHE A 21 9.534 4.848 -0.102 1.00 0.00 C ATOM 286 CG PHE A 21 9.846 4.674 -1.561 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.051 5.268 -2.528 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.934 3.918 -1.965 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.335 5.109 -3.871 1.00 0.00 C ATOM 290 CE2 PHE A 21 11.224 3.756 -3.307 1.00 0.00 C ATOM 291 CZ PHE A 21 10.424 4.353 -4.261 1.00 0.00 C ATOM 0 H PHE A 21 11.578 6.184 -0.649 1.00 0.00 H new ATOM 0 HA PHE A 21 9.085 6.950 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.147 4.157 0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.493 4.575 0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.200 5.862 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.563 3.449 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.706 5.575 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.075 3.163 -3.609 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.649 4.229 -5.310 1.00 0.00 H new ATOM 301 N GLY A 22 8.228 6.563 2.259 1.00 0.00 N ATOM 302 CA GLY A 22 7.852 6.647 3.658 1.00 0.00 C ATOM 303 C GLY A 22 6.548 5.933 3.952 1.00 0.00 C ATOM 304 O GLY A 22 5.755 6.387 4.777 1.00 0.00 O ATOM 0 H GLY A 22 7.459 6.688 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.644 6.217 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.761 7.695 3.944 1.00 0.00 H new ATOM 308 N PHE A 23 6.322 4.813 3.273 1.00 0.00 N ATOM 309 CA PHE A 23 5.103 4.036 3.463 1.00 0.00 C ATOM 310 C PHE A 23 5.416 2.545 3.543 1.00 0.00 C ATOM 311 O PHE A 23 6.215 2.023 2.765 1.00 0.00 O ATOM 312 CB PHE A 23 4.120 4.302 2.321 1.00 0.00 C ATOM 313 CG PHE A 23 4.395 3.486 1.091 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.476 3.781 0.276 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.573 2.424 0.749 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.731 3.032 -0.857 1.00 0.00 C ATOM 317 CE2 PHE A 23 3.824 1.672 -0.383 1.00 0.00 C ATOM 318 CZ PHE A 23 4.905 1.975 -1.186 1.00 0.00 C ATOM 0 H PHE A 23 6.967 4.423 2.586 1.00 0.00 H new ATOM 0 HA PHE A 23 4.648 4.345 4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.108 4.093 2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.155 5.360 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.126 4.605 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.727 2.181 1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.576 3.273 -1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.175 0.848 -0.639 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.105 1.387 -2.070 1.00 0.00 H new ATOM 328 N THR A 24 4.780 1.863 4.491 1.00 0.00 N ATOM 329 CA THR A 24 4.990 0.432 4.675 1.00 0.00 C ATOM 330 C THR A 24 3.697 -0.346 4.458 1.00 0.00 C ATOM 331 O THR A 24 2.605 0.161 4.717 1.00 0.00 O ATOM 332 CB THR A 24 5.534 0.121 6.082 1.00 0.00 C ATOM 333 OG1 THR A 24 4.711 0.745 7.074 1.00 0.00 O ATOM 334 CG2 THR A 24 6.968 0.607 6.228 1.00 0.00 C ATOM 0 H THR A 24 4.115 2.279 5.143 1.00 0.00 H new ATOM 0 HA THR A 24 5.725 0.122 3.933 1.00 0.00 H new ATOM 0 HB THR A 24 5.517 -0.960 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.062 0.541 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.330 0.376 7.230 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.598 0.109 5.491 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.005 1.685 6.068 1.00 0.00 H new ATOM 342 N VAL A 25 3.827 -1.580 3.983 1.00 0.00 N ATOM 343 CA VAL A 25 2.669 -2.430 3.733 1.00 0.00 C ATOM 344 C VAL A 25 2.827 -3.787 4.409 1.00 0.00 C ATOM 345 O VAL A 25 3.862 -4.076 5.009 1.00 0.00 O ATOM 346 CB VAL A 25 2.444 -2.642 2.225 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.114 -1.323 1.543 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.665 -3.290 1.590 1.00 0.00 C ATOM 0 H VAL A 25 4.724 -2.014 3.763 1.00 0.00 H new ATOM 0 HA VAL A 25 1.803 -1.918 4.153 1.00 0.00 H new ATOM 0 HB VAL A 25 1.595 -3.313 2.093 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.958 -1.493 0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.207 -0.904 1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.940 -0.625 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.488 -3.432 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.533 -2.646 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.850 -4.256 2.059 1.00 0.00 H new ATOM 358 N SER A 26 1.794 -4.617 4.306 1.00 0.00 N ATOM 359 CA SER A 26 1.816 -5.944 4.910 1.00 0.00 C ATOM 360 C SER A 26 0.594 -6.754 4.488 1.00 0.00 C ATOM 361 O SER A 26 -0.510 -6.222 4.381 1.00 0.00 O ATOM 362 CB SER A 26 1.866 -5.833 6.435 1.00 0.00 C ATOM 363 OG SER A 26 2.431 -6.996 7.013 1.00 0.00 O ATOM 0 H SER A 26 0.931 -4.394 3.810 1.00 0.00 H new ATOM 0 HA SER A 26 2.710 -6.460 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.453 -4.960 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.859 -5.682 6.825 1.00 0.00 H new ATOM 0 HG SER A 26 2.453 -6.899 7.988 1.00 0.00 H new ATOM 369 N GLY A 27 0.802 -8.045 4.249 1.00 0.00 N ATOM 370 CA GLY A 27 -0.291 -8.909 3.840 1.00 0.00 C ATOM 371 C GLY A 27 0.169 -10.039 2.941 1.00 0.00 C ATOM 372 O GLY A 27 1.017 -9.843 2.070 1.00 0.00 O ATOM 0 H GLY A 27 1.707 -8.508 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.772 -9.326 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.043 -8.317 3.318 1.00 0.00 H new ATOM 376 N ASP A 28 -0.391 -11.225 3.151 1.00 0.00 N ATOM 377 CA ASP A 28 -0.033 -12.392 2.352 1.00 0.00 C ATOM 378 C ASP A 28 -0.771 -12.383 1.017 1.00 0.00 C ATOM 379 O ASP A 28 -0.166 -12.574 -0.038 1.00 0.00 O ATOM 380 CB ASP A 28 -0.352 -13.677 3.117 1.00 0.00 C ATOM 381 CG ASP A 28 0.696 -14.004 4.163 1.00 0.00 C ATOM 382 OD1 ASP A 28 1.796 -14.456 3.780 1.00 0.00 O ATOM 383 OD2 ASP A 28 0.416 -13.808 5.364 1.00 0.00 O ATOM 0 H ASP A 28 -1.095 -11.404 3.867 1.00 0.00 H new ATOM 0 HA ASP A 28 1.038 -12.353 2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.324 -13.577 3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.429 -14.506 2.413 1.00 0.00 H new ATOM 388 N ARG A 29 -2.080 -12.162 1.072 1.00 0.00 N ATOM 389 CA ARG A 29 -2.900 -12.130 -0.133 1.00 0.00 C ATOM 390 C ARG A 29 -3.398 -10.716 -0.415 1.00 0.00 C ATOM 391 O ARG A 29 -3.178 -10.175 -1.500 1.00 0.00 O ATOM 392 CB ARG A 29 -4.090 -13.082 0.010 1.00 0.00 C ATOM 393 CG ARG A 29 -3.803 -14.493 -0.478 1.00 0.00 C ATOM 394 CD ARG A 29 -4.984 -15.418 -0.232 1.00 0.00 C ATOM 395 NE ARG A 29 -5.963 -15.356 -1.315 1.00 0.00 N ATOM 396 CZ ARG A 29 -7.123 -16.003 -1.295 1.00 0.00 C ATOM 397 NH1 ARG A 29 -7.447 -16.758 -0.254 1.00 0.00 N ATOM 398 NH2 ARG A 29 -7.961 -15.896 -2.318 1.00 0.00 N ATOM 0 H ARG A 29 -2.595 -12.003 1.938 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.283 -12.453 -0.971 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.388 -13.123 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.936 -12.679 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.572 -14.471 -1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.922 -14.883 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.626 -16.442 -0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.466 -15.149 0.708 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.744 -14.785 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.805 -16.843 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.338 -17.254 -0.241 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.715 -15.317 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.852 -16.393 -2.302 1.00 0.00 H new ATOM 412 N ILE A 30 -4.069 -10.123 0.566 1.00 0.00 N ATOM 413 CA ILE A 30 -4.597 -8.772 0.423 1.00 0.00 C ATOM 414 C ILE A 30 -3.654 -7.745 1.041 1.00 0.00 C ATOM 415 O ILE A 30 -3.801 -7.374 2.206 1.00 0.00 O ATOM 416 CB ILE A 30 -5.985 -8.638 1.078 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.006 -9.510 0.343 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.429 -7.183 1.083 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.161 -9.156 -1.119 1.00 0.00 C ATOM 0 H ILE A 30 -4.260 -10.557 1.469 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.689 -8.580 -0.646 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.919 -8.981 2.110 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.706 -10.555 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.974 -9.416 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.411 -7.104 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.712 -6.586 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.483 -6.815 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.900 -9.814 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.491 -8.121 -1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.204 -9.277 -1.626 1.00 0.00 H new ATOM 431 N VAL A 31 -2.686 -7.289 0.253 1.00 0.00 N ATOM 432 CA VAL A 31 -1.720 -6.302 0.721 1.00 0.00 C ATOM 433 C VAL A 31 -2.394 -4.962 0.997 1.00 0.00 C ATOM 434 O VAL A 31 -3.246 -4.513 0.229 1.00 0.00 O ATOM 435 CB VAL A 31 -0.589 -6.094 -0.303 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.479 -5.170 0.261 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.012 -7.431 -0.710 1.00 0.00 C ATOM 0 H VAL A 31 -2.550 -7.587 -0.713 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.295 -6.689 1.647 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.009 -5.624 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.270 -5.035 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.035 -4.203 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.899 -5.609 1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.810 -7.266 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.418 -7.930 0.170 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.761 -8.056 -1.158 1.00 0.00 H new ATOM 447 N LEU A 32 -2.005 -4.327 2.097 1.00 0.00 N ATOM 448 CA LEU A 32 -2.571 -3.036 2.475 1.00 0.00 C ATOM 449 C LEU A 32 -1.506 -2.134 3.091 1.00 0.00 C ATOM 450 O LEU A 32 -0.458 -2.606 3.533 1.00 0.00 O ATOM 451 CB LEU A 32 -3.723 -3.231 3.462 1.00 0.00 C ATOM 452 CG LEU A 32 -4.963 -3.938 2.914 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.729 -4.620 4.037 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.859 -2.951 2.179 1.00 0.00 C ATOM 0 H LEU A 32 -1.301 -4.684 2.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.951 -2.556 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.352 -3.800 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.023 -2.253 3.837 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.639 -4.701 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.608 -5.118 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.087 -5.356 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.042 -3.875 4.769 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.737 -3.472 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.174 -2.165 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.309 -2.508 1.349 1.00 0.00 H new ATOM 466 N VAL A 33 -1.782 -0.834 3.118 1.00 0.00 N ATOM 467 CA VAL A 33 -0.850 0.133 3.683 1.00 0.00 C ATOM 468 C VAL A 33 -0.865 0.087 5.207 1.00 0.00 C ATOM 469 O VAL A 33 -1.874 0.401 5.837 1.00 0.00 O ATOM 470 CB VAL A 33 -1.178 1.566 3.222 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.232 2.566 3.868 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.116 1.663 1.705 1.00 0.00 C ATOM 0 H VAL A 33 -2.644 -0.427 2.755 1.00 0.00 H new ATOM 0 HA VAL A 33 0.142 -0.139 3.323 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.193 1.808 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.480 3.572 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.331 2.513 4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.794 2.331 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.350 2.682 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.114 1.402 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.839 0.975 1.267 1.00 0.00 H new ATOM 482 N GLN A 34 0.261 -0.307 5.793 1.00 0.00 N ATOM 483 CA GLN A 34 0.377 -0.395 7.244 1.00 0.00 C ATOM 484 C GLN A 34 0.380 0.993 7.875 1.00 0.00 C ATOM 485 O GLN A 34 -0.469 1.309 8.708 1.00 0.00 O ATOM 486 CB GLN A 34 1.652 -1.147 7.630 1.00 0.00 C ATOM 487 CG GLN A 34 1.739 -1.475 9.112 1.00 0.00 C ATOM 488 CD GLN A 34 0.661 -2.442 9.560 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.219 -2.812 8.783 1.00 0.00 O ATOM 490 NE2 GLN A 34 0.724 -2.858 10.820 1.00 0.00 N ATOM 0 H GLN A 34 1.106 -0.570 5.286 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.487 -0.943 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.705 -2.073 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.517 -0.547 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.718 -1.902 9.329 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.658 -0.554 9.689 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.471 -2.526 11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.025 -3.510 11.177 1.00 0.00 H new ATOM 499 N SER A 35 1.341 1.819 7.472 1.00 0.00 N ATOM 500 CA SER A 35 1.458 3.173 8.002 1.00 0.00 C ATOM 501 C SER A 35 1.961 4.134 6.929 1.00 0.00 C ATOM 502 O SER A 35 2.337 3.718 5.833 1.00 0.00 O ATOM 503 CB SER A 35 2.403 3.193 9.205 1.00 0.00 C ATOM 504 OG SER A 35 3.558 2.410 8.959 1.00 0.00 O ATOM 0 H SER A 35 2.050 1.574 6.780 1.00 0.00 H new ATOM 0 HA SER A 35 0.468 3.499 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.696 4.220 9.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.884 2.814 10.086 1.00 0.00 H new ATOM 0 HG SER A 35 3.557 2.110 8.026 1.00 0.00 H new ATOM 510 N VAL A 36 1.965 5.423 7.253 1.00 0.00 N ATOM 511 CA VAL A 36 2.422 6.445 6.319 1.00 0.00 C ATOM 512 C VAL A 36 3.116 7.587 7.052 1.00 0.00 C ATOM 513 O VAL A 36 2.533 8.218 7.933 1.00 0.00 O ATOM 514 CB VAL A 36 1.253 7.014 5.493 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.744 8.105 4.554 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.559 5.905 4.718 1.00 0.00 C ATOM 0 H VAL A 36 1.657 5.784 8.156 1.00 0.00 H new ATOM 0 HA VAL A 36 3.132 5.964 5.646 1.00 0.00 H new ATOM 0 HB VAL A 36 0.529 7.456 6.177 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.904 8.495 3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.191 8.911 5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.489 7.692 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.264 6.325 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.272 5.432 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.171 5.162 5.415 1.00 0.00 H new ATOM 526 N ARG A 37 4.366 7.849 6.680 1.00 0.00 N ATOM 527 CA ARG A 37 5.140 8.915 7.303 1.00 0.00 C ATOM 528 C ARG A 37 4.354 10.223 7.313 1.00 0.00 C ATOM 529 O ARG A 37 3.620 10.542 6.378 1.00 0.00 O ATOM 530 CB ARG A 37 6.465 9.110 6.563 1.00 0.00 C ATOM 531 CG ARG A 37 7.567 8.173 7.031 1.00 0.00 C ATOM 532 CD ARG A 37 8.063 8.545 8.420 1.00 0.00 C ATOM 533 NE ARG A 37 9.006 7.562 8.945 1.00 0.00 N ATOM 534 CZ ARG A 37 9.517 7.616 10.170 1.00 0.00 C ATOM 535 NH1 ARG A 37 9.176 8.599 10.992 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.370 6.684 10.576 1.00 0.00 N ATOM 0 H ARG A 37 4.863 7.337 5.951 1.00 0.00 H new ATOM 0 HA ARG A 37 5.345 8.627 8.334 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.301 8.960 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.796 10.140 6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.196 7.148 7.039 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.398 8.206 6.326 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.542 9.524 8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.213 8.630 9.098 1.00 0.00 H new ATOM 0 HE ARG A 37 9.288 6.792 8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.520 9.316 10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.570 8.638 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.634 5.925 9.947 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.762 6.726 11.517 1.00 0.00 H new ATOM 550 N PRO A 38 4.510 10.999 8.396 1.00 0.00 N ATOM 551 CA PRO A 38 3.823 12.284 8.555 1.00 0.00 C ATOM 552 C PRO A 38 4.353 13.346 7.598 1.00 0.00 C ATOM 553 O PRO A 38 3.826 14.456 7.534 1.00 0.00 O ATOM 554 CB PRO A 38 4.127 12.672 10.004 1.00 0.00 C ATOM 555 CG PRO A 38 5.400 11.968 10.326 1.00 0.00 C ATOM 556 CD PRO A 38 5.369 10.681 9.549 1.00 0.00 C ATOM 0 HA PRO A 38 2.758 12.207 8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.234 13.752 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.324 12.363 10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.262 12.573 10.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.480 11.776 11.396 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.368 10.377 9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.959 9.863 10.142 1.00 0.00 H new ATOM 564 N GLY A 39 5.398 12.998 6.853 1.00 0.00 N ATOM 565 CA GLY A 39 5.981 13.933 5.909 1.00 0.00 C ATOM 566 C GLY A 39 6.944 13.263 4.949 1.00 0.00 C ATOM 567 O GLY A 39 7.984 13.825 4.608 1.00 0.00 O ATOM 0 H GLY A 39 5.851 12.085 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.185 14.416 5.342 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.505 14.717 6.456 1.00 0.00 H new ATOM 571 N GLY A 40 6.599 12.055 4.513 1.00 0.00 N ATOM 572 CA GLY A 40 7.452 11.326 3.593 1.00 0.00 C ATOM 573 C GLY A 40 7.163 11.664 2.143 1.00 0.00 C ATOM 574 O GLY A 40 7.113 12.835 1.770 1.00 0.00 O ATOM 0 H GLY A 40 5.744 11.568 4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.495 11.551 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.317 10.256 3.747 1.00 0.00 H new ATOM 578 N ALA A 41 6.974 10.634 1.324 1.00 0.00 N ATOM 579 CA ALA A 41 6.688 10.827 -0.092 1.00 0.00 C ATOM 580 C ALA A 41 5.346 10.210 -0.470 1.00 0.00 C ATOM 581 O ALA A 41 4.775 10.533 -1.511 1.00 0.00 O ATOM 582 CB ALA A 41 7.802 10.233 -0.941 1.00 0.00 C ATOM 0 H ALA A 41 7.014 9.658 1.617 1.00 0.00 H new ATOM 0 HA ALA A 41 6.632 11.899 -0.283 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.575 10.384 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.745 10.723 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.885 9.165 -0.737 1.00 0.00 H new ATOM 588 N ALA A 42 4.848 9.320 0.382 1.00 0.00 N ATOM 589 CA ALA A 42 3.572 8.659 0.138 1.00 0.00 C ATOM 590 C ALA A 42 2.404 9.562 0.519 1.00 0.00 C ATOM 591 O ALA A 42 1.426 9.673 -0.220 1.00 0.00 O ATOM 592 CB ALA A 42 3.501 7.348 0.906 1.00 0.00 C ATOM 0 H ALA A 42 5.309 9.040 1.248 1.00 0.00 H new ATOM 0 HA ALA A 42 3.499 8.446 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.543 6.865 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.309 6.692 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.601 7.546 1.973 1.00 0.00 H new ATOM 598 N MET A 43 2.512 10.205 1.677 1.00 0.00 N ATOM 599 CA MET A 43 1.464 11.099 2.155 1.00 0.00 C ATOM 600 C MET A 43 1.239 12.246 1.176 1.00 0.00 C ATOM 601 O MET A 43 0.103 12.557 0.817 1.00 0.00 O ATOM 602 CB MET A 43 1.827 11.654 3.534 1.00 0.00 C ATOM 603 CG MET A 43 0.781 12.597 4.104 1.00 0.00 C ATOM 604 SD MET A 43 1.201 13.182 5.757 1.00 0.00 S ATOM 605 CE MET A 43 0.665 11.794 6.755 1.00 0.00 C ATOM 0 H MET A 43 3.314 10.124 2.301 1.00 0.00 H new ATOM 0 HA MET A 43 0.540 10.526 2.234 1.00 0.00 H new ATOM 0 HB2 MET A 43 1.970 10.823 4.225 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.779 12.180 3.466 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.667 13.452 3.438 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.182 12.088 4.137 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.743 12.053 7.811 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.371 11.553 6.516 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.296 10.930 6.546 1.00 0.00 H new ATOM 615 N LYS A 44 2.329 12.874 0.746 1.00 0.00 N ATOM 616 CA LYS A 44 2.251 13.987 -0.193 1.00 0.00 C ATOM 617 C LYS A 44 1.532 13.571 -1.472 1.00 0.00 C ATOM 618 O LYS A 44 0.897 14.392 -2.133 1.00 0.00 O ATOM 619 CB LYS A 44 3.655 14.497 -0.527 1.00 0.00 C ATOM 620 CG LYS A 44 4.245 15.399 0.543 1.00 0.00 C ATOM 621 CD LYS A 44 5.342 16.287 -0.019 1.00 0.00 C ATOM 622 CE LYS A 44 6.592 15.487 -0.353 1.00 0.00 C ATOM 623 NZ LYS A 44 7.488 16.221 -1.289 1.00 0.00 N ATOM 0 H LYS A 44 3.277 12.631 1.033 1.00 0.00 H new ATOM 0 HA LYS A 44 1.682 14.788 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.316 13.644 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.620 15.042 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.458 16.019 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.648 14.790 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.980 16.790 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.589 17.064 0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.134 15.260 0.565 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.305 14.534 -0.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.328 15.642 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.980 16.415 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.783 17.119 -0.855 1.00 0.00 H new ATOM 637 N ALA A 45 1.635 12.290 -1.813 1.00 0.00 N ATOM 638 CA ALA A 45 0.991 11.765 -3.011 1.00 0.00 C ATOM 639 C ALA A 45 -0.510 11.600 -2.800 1.00 0.00 C ATOM 640 O ALA A 45 -1.279 11.542 -3.758 1.00 0.00 O ATOM 641 CB ALA A 45 1.619 10.437 -3.408 1.00 0.00 C ATOM 0 H ALA A 45 2.158 11.597 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 45 1.141 12.482 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.129 10.056 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.680 10.582 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.498 9.720 -2.596 1.00 0.00 H new ATOM 647 N GLY A 46 -0.921 11.525 -1.537 1.00 0.00 N ATOM 648 CA GLY A 46 -2.329 11.367 -1.224 1.00 0.00 C ATOM 649 C GLY A 46 -2.676 9.949 -0.816 1.00 0.00 C ATOM 650 O GLY A 46 -3.712 9.416 -1.214 1.00 0.00 O ATOM 0 H GLY A 46 -0.304 11.571 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.598 12.050 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.925 11.648 -2.092 1.00 0.00 H new ATOM 654 N VAL A 47 -1.807 9.334 -0.019 1.00 0.00 N ATOM 655 CA VAL A 47 -2.027 7.969 0.443 1.00 0.00 C ATOM 656 C VAL A 47 -2.373 7.940 1.927 1.00 0.00 C ATOM 657 O VAL A 47 -1.846 8.727 2.714 1.00 0.00 O ATOM 658 CB VAL A 47 -0.788 7.088 0.198 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.954 5.734 0.872 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.537 6.923 -1.293 1.00 0.00 C ATOM 0 H VAL A 47 -0.944 9.760 0.320 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.865 7.572 -0.130 1.00 0.00 H new ATOM 0 HB VAL A 47 0.079 7.582 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.069 5.125 0.688 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.081 5.875 1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.831 5.231 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.342 6.298 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.403 6.452 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.370 7.901 -1.744 1.00 0.00 H new ATOM 670 N LYS A 48 -3.262 7.027 2.304 1.00 0.00 N ATOM 671 CA LYS A 48 -3.678 6.893 3.695 1.00 0.00 C ATOM 672 C LYS A 48 -3.482 5.462 4.186 1.00 0.00 C ATOM 673 O LYS A 48 -3.267 4.548 3.391 1.00 0.00 O ATOM 674 CB LYS A 48 -5.145 7.300 3.851 1.00 0.00 C ATOM 675 CG LYS A 48 -6.118 6.330 3.204 1.00 0.00 C ATOM 676 CD LYS A 48 -7.486 6.390 3.861 1.00 0.00 C ATOM 677 CE LYS A 48 -8.495 5.518 3.130 1.00 0.00 C ATOM 678 NZ LYS A 48 -9.118 6.233 1.982 1.00 0.00 N ATOM 0 H LYS A 48 -3.708 6.369 1.665 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.057 7.554 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.379 7.383 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.287 8.289 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.213 6.562 2.143 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.724 5.316 3.275 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.407 6.065 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.838 7.421 3.876 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.001 4.615 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.272 5.201 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.799 5.605 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.611 7.081 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.380 6.513 1.305 1.00 0.00 H new ATOM 692 N GLU A 49 -3.558 5.276 5.500 1.00 0.00 N ATOM 693 CA GLU A 49 -3.389 3.956 6.095 1.00 0.00 C ATOM 694 C GLU A 49 -4.686 3.155 6.020 1.00 0.00 C ATOM 695 O GLU A 49 -5.719 3.575 6.540 1.00 0.00 O ATOM 696 CB GLU A 49 -2.939 4.083 7.552 1.00 0.00 C ATOM 697 CG GLU A 49 -1.841 5.111 7.763 1.00 0.00 C ATOM 698 CD GLU A 49 -1.704 5.530 9.214 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.279 4.846 10.086 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.021 6.543 9.476 1.00 0.00 O ATOM 0 H GLU A 49 -3.735 6.022 6.172 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.622 3.426 5.530 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.798 4.351 8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.588 3.112 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.893 4.700 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.050 5.990 7.153 1.00 0.00 H new ATOM 707 N GLY A 50 -4.623 1.998 5.368 1.00 0.00 N ATOM 708 CA GLY A 50 -5.798 1.156 5.236 1.00 0.00 C ATOM 709 C GLY A 50 -6.300 1.082 3.807 1.00 0.00 C ATOM 710 O GLY A 50 -7.465 0.765 3.567 1.00 0.00 O ATOM 0 H GLY A 50 -3.780 1.629 4.929 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.563 0.151 5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.591 1.541 5.877 1.00 0.00 H new ATOM 714 N ASP A 51 -5.420 1.376 2.857 1.00 0.00 N ATOM 715 CA ASP A 51 -5.780 1.342 1.444 1.00 0.00 C ATOM 716 C ASP A 51 -5.290 0.054 0.790 1.00 0.00 C ATOM 717 O ASP A 51 -4.160 -0.379 1.018 1.00 0.00 O ATOM 718 CB ASP A 51 -5.194 2.553 0.717 1.00 0.00 C ATOM 719 CG ASP A 51 -6.035 2.978 -0.470 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.860 2.164 -0.935 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.868 4.125 -0.935 1.00 0.00 O ATOM 0 H ASP A 51 -4.452 1.641 3.039 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.867 1.375 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.109 3.386 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.185 2.317 0.378 1.00 0.00 H new ATOM 726 N ARG A 52 -6.148 -0.555 -0.022 1.00 0.00 N ATOM 727 CA ARG A 52 -5.803 -1.794 -0.708 1.00 0.00 C ATOM 728 C ARG A 52 -5.175 -1.507 -2.068 1.00 0.00 C ATOM 729 O ARG A 52 -5.566 -0.563 -2.756 1.00 0.00 O ATOM 730 CB ARG A 52 -7.047 -2.668 -0.882 1.00 0.00 C ATOM 731 CG ARG A 52 -6.731 -4.115 -1.227 1.00 0.00 C ATOM 732 CD ARG A 52 -7.916 -4.800 -1.890 1.00 0.00 C ATOM 733 NE ARG A 52 -9.036 -4.968 -0.969 1.00 0.00 N ATOM 734 CZ ARG A 52 -10.182 -5.551 -1.304 1.00 0.00 C ATOM 735 NH1 ARG A 52 -10.357 -6.020 -2.532 1.00 0.00 N ATOM 736 NH2 ARG A 52 -11.156 -5.667 -0.410 1.00 0.00 N ATOM 0 H ARG A 52 -7.087 -0.210 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.075 -2.327 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.631 -2.642 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.672 -2.244 -1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.869 -4.152 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.457 -4.655 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.239 -4.214 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.607 -5.775 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.933 -4.619 -0.016 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.611 -5.934 -3.222 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.238 -6.467 -2.786 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.025 -5.308 0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.035 -6.115 -0.669 1.00 0.00 H new ATOM 750 N ILE A 53 -4.201 -2.326 -2.449 1.00 0.00 N ATOM 751 CA ILE A 53 -3.520 -2.160 -3.727 1.00 0.00 C ATOM 752 C ILE A 53 -3.886 -3.280 -4.695 1.00 0.00 C ATOM 753 O ILE A 53 -3.727 -4.461 -4.382 1.00 0.00 O ATOM 754 CB ILE A 53 -1.990 -2.129 -3.550 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.600 -1.111 -2.477 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.311 -1.801 -4.871 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.322 -1.463 -1.747 1.00 0.00 C ATOM 0 H ILE A 53 -3.866 -3.111 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.849 -1.206 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.656 -3.115 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.486 -0.131 -2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.411 -1.028 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.230 -1.783 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.568 -2.560 -5.610 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.648 -0.825 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.106 -0.698 -1.001 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.439 -2.428 -1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.501 -1.517 -2.460 1.00 0.00 H new ATOM 769 N ILE A 54 -4.374 -2.902 -5.871 1.00 0.00 N ATOM 770 CA ILE A 54 -4.760 -3.875 -6.886 1.00 0.00 C ATOM 771 C ILE A 54 -3.590 -4.201 -7.808 1.00 0.00 C ATOM 772 O ILE A 54 -3.257 -5.367 -8.019 1.00 0.00 O ATOM 773 CB ILE A 54 -5.941 -3.366 -7.734 1.00 0.00 C ATOM 774 CG1 ILE A 54 -7.209 -3.281 -6.883 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.162 -4.275 -8.934 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.338 -2.530 -7.553 1.00 0.00 C ATOM 0 H ILE A 54 -4.512 -1.929 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.066 -4.778 -6.357 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.703 -2.367 -8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.546 -4.290 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.970 -2.794 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.000 -3.902 -9.523 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.263 -4.289 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.382 -5.285 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.204 -2.510 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.020 -1.509 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.604 -3.029 -8.485 1.00 0.00 H new ATOM 788 N LYS A 55 -2.967 -3.162 -8.354 1.00 0.00 N ATOM 789 CA LYS A 55 -1.831 -3.336 -9.252 1.00 0.00 C ATOM 790 C LYS A 55 -0.639 -2.505 -8.787 1.00 0.00 C ATOM 791 O LYS A 55 -0.805 -1.446 -8.183 1.00 0.00 O ATOM 792 CB LYS A 55 -2.217 -2.939 -10.678 1.00 0.00 C ATOM 793 CG LYS A 55 -1.445 -3.692 -11.748 1.00 0.00 C ATOM 794 CD LYS A 55 -1.804 -3.204 -13.142 1.00 0.00 C ATOM 795 CE LYS A 55 -1.412 -4.219 -14.206 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.458 -5.263 -14.388 1.00 0.00 N ATOM 0 H LYS A 55 -3.230 -2.190 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.546 -4.388 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.283 -3.115 -10.819 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.051 -1.869 -10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.375 -3.567 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.657 -4.758 -11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.876 -3.013 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.301 -2.257 -13.338 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.242 -3.706 -15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.471 -4.693 -13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.154 -5.935 -15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.602 -5.770 -13.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.350 -4.814 -14.679 1.00 0.00 H new ATOM 810 N VAL A 56 0.564 -2.993 -9.073 1.00 0.00 N ATOM 811 CA VAL A 56 1.784 -2.295 -8.687 1.00 0.00 C ATOM 812 C VAL A 56 2.767 -2.221 -9.850 1.00 0.00 C ATOM 813 O VAL A 56 3.217 -3.245 -10.361 1.00 0.00 O ATOM 814 CB VAL A 56 2.471 -2.983 -7.492 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.902 -2.490 -7.342 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.679 -2.747 -6.215 1.00 0.00 C ATOM 0 H VAL A 56 0.719 -3.870 -9.571 1.00 0.00 H new ATOM 0 HA VAL A 56 1.492 -1.286 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 56 2.501 -4.056 -7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.371 -2.987 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.462 -2.716 -8.249 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.900 -1.413 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.178 -3.240 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.616 -1.677 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.675 -3.155 -6.329 1.00 0.00 H new ATOM 826 N ASN A 57 3.095 -1.001 -10.264 1.00 0.00 N ATOM 827 CA ASN A 57 4.025 -0.793 -11.368 1.00 0.00 C ATOM 828 C ASN A 57 3.576 -1.557 -12.609 1.00 0.00 C ATOM 829 O ASN A 57 4.393 -2.131 -13.328 1.00 0.00 O ATOM 830 CB ASN A 57 5.434 -1.235 -10.966 1.00 0.00 C ATOM 831 CG ASN A 57 6.491 -0.756 -11.942 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.798 -1.434 -12.923 1.00 0.00 O ATOM 833 ND2 ASN A 57 7.053 0.417 -11.676 1.00 0.00 N ATOM 0 H ASN A 57 2.731 -0.142 -9.852 1.00 0.00 H new ATOM 0 HA ASN A 57 4.038 0.271 -11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.662 -0.852 -9.971 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.467 -2.323 -10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.771 0.791 -12.297 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.767 0.944 -10.851 1.00 0.00 H new ATOM 840 N GLY A 58 2.269 -1.559 -12.856 1.00 0.00 N ATOM 841 CA GLY A 58 1.733 -2.254 -14.011 1.00 0.00 C ATOM 842 C GLY A 58 1.812 -3.762 -13.869 1.00 0.00 C ATOM 843 O GLY A 58 1.846 -4.486 -14.863 1.00 0.00 O ATOM 0 H GLY A 58 1.572 -1.091 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.694 -1.960 -14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.280 -1.947 -14.902 1.00 0.00 H new ATOM 847 N THR A 59 1.843 -4.236 -12.627 1.00 0.00 N ATOM 848 CA THR A 59 1.922 -5.666 -12.358 1.00 0.00 C ATOM 849 C THR A 59 0.794 -6.115 -11.435 1.00 0.00 C ATOM 850 O THR A 59 0.581 -5.532 -10.372 1.00 0.00 O ATOM 851 CB THR A 59 3.272 -6.045 -11.721 1.00 0.00 C ATOM 852 OG1 THR A 59 4.337 -5.357 -12.387 1.00 0.00 O ATOM 853 CG2 THR A 59 3.505 -7.546 -11.797 1.00 0.00 C ATOM 0 H THR A 59 1.815 -3.650 -11.792 1.00 0.00 H new ATOM 0 HA THR A 59 1.827 -6.173 -13.318 1.00 0.00 H new ATOM 0 HB THR A 59 3.249 -5.751 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.390 -4.437 -12.055 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.465 -7.789 -11.341 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.708 -8.065 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.509 -7.861 -12.840 1.00 0.00 H new ATOM 861 N MET A 60 0.076 -7.154 -11.847 1.00 0.00 N ATOM 862 CA MET A 60 -1.029 -7.681 -11.055 1.00 0.00 C ATOM 863 C MET A 60 -0.518 -8.321 -9.768 1.00 0.00 C ATOM 864 O MET A 60 0.207 -9.315 -9.802 1.00 0.00 O ATOM 865 CB MET A 60 -1.823 -8.706 -11.867 1.00 0.00 C ATOM 866 CG MET A 60 -3.243 -8.911 -11.364 1.00 0.00 C ATOM 867 SD MET A 60 -4.404 -7.717 -12.054 1.00 0.00 S ATOM 868 CE MET A 60 -5.911 -8.180 -11.204 1.00 0.00 C ATOM 0 H MET A 60 0.239 -7.648 -12.724 1.00 0.00 H new ATOM 0 HA MET A 60 -1.684 -6.850 -10.792 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.858 -8.385 -12.908 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.297 -9.661 -11.846 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.572 -9.919 -11.617 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.254 -8.835 -10.277 1.00 0.00 H new ATOM 0 HE1 MET A 60 -6.766 -7.725 -11.705 1.00 0.00 H new ATOM 0 HE2 MET A 60 -6.018 -9.265 -11.217 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.868 -7.832 -10.172 1.00 0.00 H new ATOM 878 N VAL A 61 -0.901 -7.744 -8.633 1.00 0.00 N ATOM 879 CA VAL A 61 -0.482 -8.259 -7.335 1.00 0.00 C ATOM 880 C VAL A 61 -1.666 -8.370 -6.380 1.00 0.00 C ATOM 881 O VAL A 61 -1.591 -7.945 -5.227 1.00 0.00 O ATOM 882 CB VAL A 61 0.595 -7.362 -6.696 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.803 -7.244 -7.612 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.023 -5.989 -6.375 1.00 0.00 C ATOM 0 H VAL A 61 -1.500 -6.920 -8.586 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.063 -9.250 -7.508 1.00 0.00 H new ATOM 0 HB VAL A 61 0.920 -7.822 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.553 -6.607 -7.144 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.225 -8.234 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.497 -6.807 -8.563 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.798 -5.368 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.331 -5.519 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.808 -6.095 -5.678 1.00 0.00 H new ATOM 894 N THR A 62 -2.760 -8.947 -6.868 1.00 0.00 N ATOM 895 CA THR A 62 -3.961 -9.115 -6.059 1.00 0.00 C ATOM 896 C THR A 62 -3.855 -10.345 -5.166 1.00 0.00 C ATOM 897 O THR A 62 -4.367 -10.358 -4.047 1.00 0.00 O ATOM 898 CB THR A 62 -5.219 -9.240 -6.940 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.910 -9.969 -8.133 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.763 -7.867 -7.304 1.00 0.00 C ATOM 0 H THR A 62 -2.839 -9.306 -7.820 1.00 0.00 H new ATOM 0 HA THR A 62 -4.050 -8.225 -5.436 1.00 0.00 H new ATOM 0 HB THR A 62 -5.981 -9.776 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.715 -10.046 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.651 -7.981 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.024 -7.326 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.004 -7.309 -7.853 1.00 0.00 H new ATOM 908 N ASN A 63 -3.186 -11.379 -5.667 1.00 0.00 N ATOM 909 CA ASN A 63 -3.013 -12.615 -4.914 1.00 0.00 C ATOM 910 C ASN A 63 -1.544 -13.025 -4.872 1.00 0.00 C ATOM 911 O ASN A 63 -1.198 -14.166 -5.179 1.00 0.00 O ATOM 912 CB ASN A 63 -3.849 -13.736 -5.533 1.00 0.00 C ATOM 913 CG ASN A 63 -3.783 -13.737 -7.048 1.00 0.00 C ATOM 914 OD1 ASN A 63 -2.806 -14.199 -7.638 1.00 0.00 O ATOM 915 ND2 ASN A 63 -4.825 -13.218 -7.687 1.00 0.00 N ATOM 0 H ASN A 63 -2.755 -11.385 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.353 -12.439 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -3.499 -14.697 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -4.887 -13.628 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.836 -13.191 -8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.614 -12.846 -7.158 1.00 0.00 H new ATOM 922 N SER A 64 -0.684 -12.087 -4.489 1.00 0.00 N ATOM 923 CA SER A 64 0.749 -12.349 -4.410 1.00 0.00 C ATOM 924 C SER A 64 1.277 -12.063 -3.007 1.00 0.00 C ATOM 925 O SER A 64 0.702 -11.265 -2.267 1.00 0.00 O ATOM 926 CB SER A 64 1.502 -11.498 -5.434 1.00 0.00 C ATOM 927 OG SER A 64 1.699 -10.179 -4.955 1.00 0.00 O ATOM 0 H SER A 64 -0.954 -11.139 -4.228 1.00 0.00 H new ATOM 0 HA SER A 64 0.913 -13.403 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.466 -11.956 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.943 -11.469 -6.369 1.00 0.00 H new ATOM 0 HG SER A 64 2.184 -9.656 -5.627 1.00 0.00 H new ATOM 933 N SER A 65 2.375 -12.721 -2.650 1.00 0.00 N ATOM 934 CA SER A 65 2.979 -12.542 -1.335 1.00 0.00 C ATOM 935 C SER A 65 3.589 -11.150 -1.203 1.00 0.00 C ATOM 936 O SER A 65 4.201 -10.636 -2.140 1.00 0.00 O ATOM 937 CB SER A 65 4.051 -13.606 -1.094 1.00 0.00 C ATOM 938 OG SER A 65 3.485 -14.905 -1.074 1.00 0.00 O ATOM 0 H SER A 65 2.864 -13.383 -3.253 1.00 0.00 H new ATOM 0 HA SER A 65 2.196 -12.649 -0.585 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.808 -13.548 -1.876 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.555 -13.411 -0.147 1.00 0.00 H new ATOM 0 HG SER A 65 4.191 -15.567 -0.920 1.00 0.00 H new ATOM 944 N HIS A 66 3.418 -10.544 -0.032 1.00 0.00 N ATOM 945 CA HIS A 66 3.952 -9.211 0.224 1.00 0.00 C ATOM 946 C HIS A 66 5.371 -9.080 -0.322 1.00 0.00 C ATOM 947 O HIS A 66 5.716 -8.077 -0.948 1.00 0.00 O ATOM 948 CB HIS A 66 3.941 -8.914 1.724 1.00 0.00 C ATOM 949 CG HIS A 66 4.766 -7.724 2.105 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.478 -7.648 3.283 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.992 -6.558 1.455 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.105 -6.486 3.342 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.827 -5.806 2.245 1.00 0.00 N ATOM 0 H HIS A 66 2.914 -10.955 0.754 1.00 0.00 H new ATOM 0 HA HIS A 66 3.317 -8.488 -0.287 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.913 -8.751 2.046 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.309 -9.788 2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.590 -6.272 0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.737 -6.150 4.150 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.176 -4.874 2.021 1.00 0.00 H new ATOM 962 N LEU A 67 6.189 -10.098 -0.080 1.00 0.00 N ATOM 963 CA LEU A 67 7.571 -10.097 -0.546 1.00 0.00 C ATOM 964 C LEU A 67 7.640 -9.820 -2.045 1.00 0.00 C ATOM 965 O LEU A 67 8.239 -8.836 -2.477 1.00 0.00 O ATOM 966 CB LEU A 67 8.238 -11.437 -0.233 1.00 0.00 C ATOM 967 CG LEU A 67 8.275 -11.840 1.242 1.00 0.00 C ATOM 968 CD1 LEU A 67 6.962 -12.488 1.652 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.442 -12.779 1.509 1.00 0.00 C ATOM 0 H LEU A 67 5.919 -10.935 0.436 1.00 0.00 H new ATOM 0 HA LEU A 67 8.103 -9.303 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.719 -12.217 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.262 -11.407 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 67 8.414 -10.940 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.007 -12.768 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.145 -11.783 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.791 -13.378 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.453 -13.055 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.334 -13.676 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.377 -12.279 1.255 1.00 0.00 H new ATOM 981 N GLU A 68 7.020 -10.694 -2.832 1.00 0.00 N ATOM 982 CA GLU A 68 7.010 -10.543 -4.282 1.00 0.00 C ATOM 983 C GLU A 68 6.723 -9.096 -4.676 1.00 0.00 C ATOM 984 O GLU A 68 7.390 -8.534 -5.544 1.00 0.00 O ATOM 985 CB GLU A 68 5.965 -11.470 -4.907 1.00 0.00 C ATOM 986 CG GLU A 68 6.461 -12.891 -5.118 1.00 0.00 C ATOM 987 CD GLU A 68 5.373 -13.819 -5.621 1.00 0.00 C ATOM 988 OE1 GLU A 68 4.550 -13.376 -6.449 1.00 0.00 O ATOM 989 OE2 GLU A 68 5.345 -14.990 -5.187 1.00 0.00 O ATOM 0 H GLU A 68 6.518 -11.514 -2.490 1.00 0.00 H new ATOM 0 HA GLU A 68 7.997 -10.815 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.083 -11.493 -4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.652 -11.057 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.285 -12.882 -5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.857 -13.277 -4.179 1.00 0.00 H new ATOM 996 N VAL A 69 5.725 -8.501 -4.031 1.00 0.00 N ATOM 997 CA VAL A 69 5.349 -7.120 -4.312 1.00 0.00 C ATOM 998 C VAL A 69 6.469 -6.158 -3.934 1.00 0.00 C ATOM 999 O VAL A 69 6.805 -5.250 -4.695 1.00 0.00 O ATOM 1000 CB VAL A 69 4.067 -6.722 -3.556 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.734 -5.259 -3.803 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.908 -7.619 -3.965 1.00 0.00 C ATOM 0 H VAL A 69 5.162 -8.953 -3.310 1.00 0.00 H new ATOM 0 HA VAL A 69 5.164 -7.054 -5.384 1.00 0.00 H new ATOM 0 HB VAL A 69 4.239 -6.854 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.826 -4.996 -3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.557 -4.635 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.580 -5.096 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.010 -7.324 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.732 -7.521 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.150 -8.656 -3.731 1.00 0.00 H new ATOM 1012 N VAL A 70 7.043 -6.362 -2.753 1.00 0.00 N ATOM 1013 CA VAL A 70 8.127 -5.513 -2.273 1.00 0.00 C ATOM 1014 C VAL A 70 9.166 -5.279 -3.364 1.00 0.00 C ATOM 1015 O VAL A 70 9.482 -4.139 -3.703 1.00 0.00 O ATOM 1016 CB VAL A 70 8.820 -6.129 -1.043 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.100 -5.374 -0.718 1.00 0.00 C ATOM 1018 CG2 VAL A 70 7.878 -6.136 0.151 1.00 0.00 C ATOM 0 H VAL A 70 6.776 -7.108 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 70 7.681 -4.560 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 70 9.084 -7.161 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.576 -5.823 0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.779 -5.426 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.863 -4.331 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.384 -6.575 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.582 -5.114 0.387 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.992 -6.725 -0.088 1.00 0.00 H new ATOM 1028 N LYS A 71 9.696 -6.368 -3.912 1.00 0.00 N ATOM 1029 CA LYS A 71 10.699 -6.284 -4.967 1.00 0.00 C ATOM 1030 C LYS A 71 10.265 -5.306 -6.054 1.00 0.00 C ATOM 1031 O LYS A 71 11.087 -4.584 -6.618 1.00 0.00 O ATOM 1032 CB LYS A 71 10.944 -7.666 -5.577 1.00 0.00 C ATOM 1033 CG LYS A 71 11.647 -8.630 -4.638 1.00 0.00 C ATOM 1034 CD LYS A 71 11.590 -10.056 -5.157 1.00 0.00 C ATOM 1035 CE LYS A 71 12.746 -10.352 -6.101 1.00 0.00 C ATOM 1036 NZ LYS A 71 12.922 -11.815 -6.320 1.00 0.00 N ATOM 0 H LYS A 71 9.447 -7.320 -3.642 1.00 0.00 H new ATOM 0 HA LYS A 71 11.626 -5.919 -4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.988 -8.096 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.541 -7.554 -6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.687 -8.327 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.184 -8.582 -3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.617 -10.751 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.645 -10.218 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.569 -9.860 -7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.665 -9.933 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.719 -11.976 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.116 -12.281 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.054 -12.211 -6.734 1.00 0.00 H new ATOM 1050 N LEU A 72 8.968 -5.286 -6.342 1.00 0.00 N ATOM 1051 CA LEU A 72 8.424 -4.395 -7.360 1.00 0.00 C ATOM 1052 C LEU A 72 8.574 -2.936 -6.944 1.00 0.00 C ATOM 1053 O LEU A 72 8.970 -2.089 -7.745 1.00 0.00 O ATOM 1054 CB LEU A 72 6.949 -4.717 -7.612 1.00 0.00 C ATOM 1055 CG LEU A 72 6.630 -6.169 -7.967 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.131 -6.417 -7.903 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.171 -6.512 -9.348 1.00 0.00 C ATOM 0 H LEU A 72 8.274 -5.877 -5.885 1.00 0.00 H new ATOM 0 HA LEU A 72 8.986 -4.550 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.382 -4.449 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.592 -4.079 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 72 7.116 -6.817 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.923 -7.456 -8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.771 -6.212 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.623 -5.761 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.935 -7.550 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.714 -5.858 -10.091 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.252 -6.375 -9.360 1.00 0.00 H new ATOM 1069 N ILE A 73 8.257 -2.650 -5.685 1.00 0.00 N ATOM 1070 CA ILE A 73 8.361 -1.293 -5.162 1.00 0.00 C ATOM 1071 C ILE A 73 9.817 -0.851 -5.065 1.00 0.00 C ATOM 1072 O ILE A 73 10.176 0.243 -5.502 1.00 0.00 O ATOM 1073 CB ILE A 73 7.706 -1.174 -3.773 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.213 -1.499 -3.859 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.918 0.221 -3.205 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.621 -1.972 -2.550 1.00 0.00 C ATOM 0 H ILE A 73 7.927 -3.339 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 73 7.833 -0.644 -5.861 1.00 0.00 H new ATOM 0 HB ILE A 73 8.177 -1.893 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.675 -0.612 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.060 -2.268 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.449 0.289 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.986 0.417 -3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.471 0.957 -3.873 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.560 -2.184 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.133 -2.878 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.742 -1.196 -1.794 1.00 0.00 H new ATOM 1088 N LYS A 74 10.653 -1.709 -4.490 1.00 0.00 N ATOM 1089 CA LYS A 74 12.072 -1.409 -4.337 1.00 0.00 C ATOM 1090 C LYS A 74 12.659 -0.878 -5.641 1.00 0.00 C ATOM 1091 O LYS A 74 13.115 0.263 -5.708 1.00 0.00 O ATOM 1092 CB LYS A 74 12.833 -2.661 -3.895 1.00 0.00 C ATOM 1093 CG LYS A 74 12.548 -3.071 -2.461 1.00 0.00 C ATOM 1094 CD LYS A 74 13.060 -4.472 -2.169 1.00 0.00 C ATOM 1095 CE LYS A 74 13.262 -4.692 -0.678 1.00 0.00 C ATOM 1096 NZ LYS A 74 14.629 -4.295 -0.239 1.00 0.00 N ATOM 0 H LYS A 74 10.372 -2.618 -4.122 1.00 0.00 H new ATOM 0 HA LYS A 74 12.176 -0.639 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.574 -3.486 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.903 -2.485 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.017 -2.362 -1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.475 -3.029 -2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.353 -5.207 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.002 -4.633 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.521 -4.117 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.095 -5.742 -0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.727 -4.460 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.336 -4.861 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.780 -3.286 -0.443 1.00 0.00 H new ATOM 1110 N SER A 75 12.643 -1.713 -6.675 1.00 0.00 N ATOM 1111 CA SER A 75 13.177 -1.327 -7.977 1.00 0.00 C ATOM 1112 C SER A 75 12.239 -0.351 -8.680 1.00 0.00 C ATOM 1113 O SER A 75 11.062 -0.643 -8.889 1.00 0.00 O ATOM 1114 CB SER A 75 13.391 -2.565 -8.850 1.00 0.00 C ATOM 1115 OG SER A 75 12.156 -3.083 -9.313 1.00 0.00 O ATOM 0 H SER A 75 12.267 -2.660 -6.637 1.00 0.00 H new ATOM 0 HA SER A 75 14.135 -0.833 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.023 -2.309 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.918 -3.329 -8.279 1.00 0.00 H new ATOM 0 HG SER A 75 11.454 -2.410 -9.193 1.00 0.00 H new ATOM 1121 N GLY A 76 12.771 0.813 -9.044 1.00 0.00 N ATOM 1122 CA GLY A 76 11.969 1.816 -9.720 1.00 0.00 C ATOM 1123 C GLY A 76 11.800 3.076 -8.895 1.00 0.00 C ATOM 1124 O GLY A 76 11.152 3.059 -7.849 1.00 0.00 O ATOM 0 H GLY A 76 13.743 1.078 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.436 2.069 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.988 1.400 -9.947 1.00 0.00 H new ATOM 1128 N ALA A 77 12.387 4.172 -9.365 1.00 0.00 N ATOM 1129 CA ALA A 77 12.298 5.447 -8.664 1.00 0.00 C ATOM 1130 C ALA A 77 10.930 5.621 -8.014 1.00 0.00 C ATOM 1131 O ALA A 77 10.830 6.003 -6.847 1.00 0.00 O ATOM 1132 CB ALA A 77 12.581 6.596 -9.620 1.00 0.00 C ATOM 0 H ALA A 77 12.929 4.202 -10.228 1.00 0.00 H new ATOM 0 HA ALA A 77 13.050 5.453 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.511 7.542 -9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.584 6.487 -10.033 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.851 6.584 -10.430 1.00 0.00 H new ATOM 1138 N TYR A 78 9.878 5.341 -8.776 1.00 0.00 N ATOM 1139 CA TYR A 78 8.515 5.470 -8.274 1.00 0.00 C ATOM 1140 C TYR A 78 7.720 4.191 -8.521 1.00 0.00 C ATOM 1141 O TYR A 78 8.057 3.397 -9.398 1.00 0.00 O ATOM 1142 CB TYR A 78 7.814 6.655 -8.941 1.00 0.00 C ATOM 1143 CG TYR A 78 8.190 6.842 -10.393 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.486 6.196 -11.402 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.250 7.664 -10.757 1.00 0.00 C ATOM 1146 CE1 TYR A 78 7.826 6.364 -12.731 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.597 7.838 -12.083 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.882 7.186 -13.066 1.00 0.00 C ATOM 1149 OH TYR A 78 9.225 7.355 -14.388 1.00 0.00 O ATOM 0 H TYR A 78 9.943 5.023 -9.743 1.00 0.00 H new ATOM 0 HA TYR A 78 8.566 5.643 -7.199 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.735 6.516 -8.869 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.055 7.565 -8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.659 5.552 -11.143 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.812 8.176 -9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.268 5.855 -13.503 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.423 8.481 -12.348 1.00 0.00 H new ATOM 0 HH TYR A 78 9.989 7.965 -14.452 1.00 0.00 H new ATOM 1159 N VAL A 79 6.662 4.000 -7.739 1.00 0.00 N ATOM 1160 CA VAL A 79 5.817 2.820 -7.872 1.00 0.00 C ATOM 1161 C VAL A 79 4.357 3.209 -8.074 1.00 0.00 C ATOM 1162 O VAL A 79 3.756 3.868 -7.227 1.00 0.00 O ATOM 1163 CB VAL A 79 5.927 1.909 -6.635 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.627 2.692 -5.366 1.00 0.00 C ATOM 1165 CG2 VAL A 79 4.993 0.716 -6.767 1.00 0.00 C ATOM 0 H VAL A 79 6.370 4.648 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 79 6.170 2.276 -8.748 1.00 0.00 H new ATOM 0 HB VAL A 79 6.949 1.536 -6.571 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.710 2.032 -4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.340 3.510 -5.266 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.616 3.096 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.084 0.083 -5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.965 1.067 -6.858 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.260 0.142 -7.654 1.00 0.00 H new ATOM 1175 N ALA A 80 3.792 2.796 -9.204 1.00 0.00 N ATOM 1176 CA ALA A 80 2.401 3.099 -9.518 1.00 0.00 C ATOM 1177 C ALA A 80 1.454 2.159 -8.779 1.00 0.00 C ATOM 1178 O ALA A 80 1.335 0.983 -9.124 1.00 0.00 O ATOM 1179 CB ALA A 80 2.168 3.014 -11.019 1.00 0.00 C ATOM 0 H ALA A 80 4.276 2.251 -9.917 1.00 0.00 H new ATOM 0 HA ALA A 80 2.193 4.116 -9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.125 3.243 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.812 3.731 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.400 2.007 -11.367 1.00 0.00 H new ATOM 1185 N LEU A 81 0.783 2.685 -7.760 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.154 1.892 -6.971 1.00 0.00 C ATOM 1187 C LEU A 81 -1.594 2.181 -7.383 1.00 0.00 C ATOM 1188 O LEU A 81 -1.954 3.326 -7.662 1.00 0.00 O ATOM 1189 CB LEU A 81 0.030 2.183 -5.480 1.00 0.00 C ATOM 1190 CG LEU A 81 1.473 2.200 -4.973 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.574 2.993 -3.679 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.985 0.781 -4.773 1.00 0.00 C ATOM 0 H LEU A 81 0.870 3.656 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 81 0.053 0.838 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.423 3.150 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.525 1.435 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 81 2.096 2.687 -5.723 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.608 2.994 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.249 4.018 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.938 2.535 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.013 0.813 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.360 0.268 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.950 0.244 -5.721 1.00 0.00 H new ATOM 1204 N THR A 82 -2.416 1.137 -7.417 1.00 0.00 N ATOM 1205 CA THR A 82 -3.816 1.278 -7.793 1.00 0.00 C ATOM 1206 C THR A 82 -4.732 1.068 -6.593 1.00 0.00 C ATOM 1207 O THR A 82 -5.072 -0.065 -6.250 1.00 0.00 O ATOM 1208 CB THR A 82 -4.204 0.281 -8.902 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.171 0.223 -9.892 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.518 0.682 -9.555 1.00 0.00 C ATOM 0 H THR A 82 -2.135 0.183 -7.188 1.00 0.00 H new ATOM 0 HA THR A 82 -3.941 2.294 -8.168 1.00 0.00 H new ATOM 0 HB THR A 82 -4.328 -0.703 -8.449 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.536 -0.144 -10.724 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.771 -0.037 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.308 0.696 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.418 1.674 -9.995 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.130 2.165 -5.958 1.00 0.00 N ATOM 1219 CA LEU A 83 -6.008 2.100 -4.795 1.00 0.00 C ATOM 1220 C LEU A 83 -7.473 2.166 -5.215 1.00 0.00 C ATOM 1221 O LEU A 83 -7.833 2.898 -6.138 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.691 3.242 -3.828 1.00 0.00 C ATOM 1223 CG LEU A 83 -4.208 3.539 -3.603 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -4.022 4.946 -3.058 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.597 2.514 -2.658 1.00 0.00 C ATOM 0 H LEU A 83 -4.859 3.110 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.836 1.148 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.170 4.148 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.145 3.012 -2.864 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.694 3.472 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.960 5.139 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.423 5.668 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.549 5.041 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.541 2.740 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.114 2.549 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.697 1.517 -3.088 1.00 0.00 H new ATOM 1237 N LEU A 84 -8.314 1.398 -4.531 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.741 1.370 -4.832 1.00 0.00 C ATOM 1239 C LEU A 84 -10.563 1.749 -3.604 1.00 0.00 C ATOM 1240 O LEU A 84 -10.298 1.280 -2.498 1.00 0.00 O ATOM 1241 CB LEU A 84 -10.152 -0.018 -5.326 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.655 -0.275 -5.433 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -12.288 0.674 -6.439 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.923 -1.722 -5.820 1.00 0.00 C ATOM 0 H LEU A 84 -8.033 0.787 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.936 2.100 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.706 -0.179 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.723 -0.762 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 84 -12.106 -0.092 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -13.358 0.477 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.127 1.704 -6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.833 0.523 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.998 -1.886 -5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.459 -1.933 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.504 -2.385 -5.063 1.00 0.00 H new ATOM 1256 N GLY A 85 -11.564 2.601 -3.807 1.00 0.00 N ATOM 1257 CA GLY A 85 -12.411 3.026 -2.709 1.00 0.00 C ATOM 1258 C GLY A 85 -13.105 1.863 -2.027 1.00 0.00 C ATOM 1259 O GLY A 85 -13.414 0.856 -2.664 1.00 0.00 O ATOM 0 H GLY A 85 -11.803 3.004 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.809 3.565 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.160 3.724 -3.082 1.00 0.00 H new ATOM 1263 N SER A 86 -13.349 2.001 -0.728 1.00 0.00 N ATOM 1264 CA SER A 86 -14.005 0.951 0.042 1.00 0.00 C ATOM 1265 C SER A 86 -15.194 0.379 -0.724 1.00 0.00 C ATOM 1266 O SER A 86 -15.775 1.046 -1.580 1.00 0.00 O ATOM 1267 CB SER A 86 -14.470 1.496 1.394 1.00 0.00 C ATOM 1268 OG SER A 86 -15.302 2.631 1.229 1.00 0.00 O ATOM 0 H SER A 86 -13.102 2.830 -0.187 1.00 0.00 H new ATOM 0 HA SER A 86 -13.283 0.152 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.012 0.720 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.604 1.762 2.000 1.00 0.00 H new ATOM 0 HG SER A 86 -15.587 2.958 2.108 1.00 0.00 H new ATOM 1274 N SER A 87 -15.550 -0.863 -0.409 1.00 0.00 N ATOM 1275 CA SER A 87 -16.667 -1.528 -1.069 1.00 0.00 C ATOM 1276 C SER A 87 -17.951 -1.367 -0.261 1.00 0.00 C ATOM 1277 O SER A 87 -17.917 -0.988 0.910 1.00 0.00 O ATOM 1278 CB SER A 87 -16.359 -3.014 -1.267 1.00 0.00 C ATOM 1279 OG SER A 87 -15.351 -3.199 -2.245 1.00 0.00 O ATOM 0 H SER A 87 -15.081 -1.428 0.299 1.00 0.00 H new ATOM 0 HA SER A 87 -16.811 -1.061 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.038 -3.451 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.265 -3.539 -1.570 1.00 0.00 H new ATOM 0 HG SER A 87 -15.171 -4.156 -2.352 1.00 0.00 H new ATOM 1285 N SER A 88 -19.083 -1.657 -0.894 1.00 0.00 N ATOM 1286 CA SER A 88 -20.379 -1.541 -0.236 1.00 0.00 C ATOM 1287 C SER A 88 -20.280 -1.942 1.233 1.00 0.00 C ATOM 1288 O SER A 88 -19.850 -3.047 1.559 1.00 0.00 O ATOM 1289 CB SER A 88 -21.415 -2.415 -0.946 1.00 0.00 C ATOM 1290 OG SER A 88 -22.690 -2.287 -0.341 1.00 0.00 O ATOM 0 H SER A 88 -19.129 -1.974 -1.862 1.00 0.00 H new ATOM 0 HA SER A 88 -20.695 -0.499 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 88 -21.477 -2.130 -1.996 1.00 0.00 H new ATOM 0 HB3 SER A 88 -21.098 -3.457 -0.916 1.00 0.00 H new ATOM 0 HG SER A 88 -23.335 -2.854 -0.814 1.00 0.00 H new ATOM 1296 N GLY A 89 -20.681 -1.032 2.116 1.00 0.00 N ATOM 1297 CA GLY A 89 -20.630 -1.308 3.540 1.00 0.00 C ATOM 1298 C GLY A 89 -20.301 -0.074 4.357 1.00 0.00 C ATOM 1299 O GLY A 89 -19.150 0.164 4.724 1.00 0.00 O ATOM 0 H GLY A 89 -21.040 -0.109 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -21.590 -1.709 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.882 -2.077 3.732 1.00 0.00 H new ATOM 1303 N PRO A 90 -21.328 0.736 4.654 1.00 0.00 N ATOM 1304 CA PRO A 90 -21.166 1.965 5.436 1.00 0.00 C ATOM 1305 C PRO A 90 -20.839 1.684 6.898 1.00 0.00 C ATOM 1306 O PRO A 90 -21.734 1.462 7.713 1.00 0.00 O ATOM 1307 CB PRO A 90 -22.533 2.644 5.315 1.00 0.00 C ATOM 1308 CG PRO A 90 -23.488 1.531 5.054 1.00 0.00 C ATOM 1309 CD PRO A 90 -22.726 0.513 4.250 1.00 0.00 C ATOM 0 HA PRO A 90 -20.338 2.573 5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -22.791 3.180 6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -22.543 3.372 4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -23.850 1.100 5.987 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -24.362 1.886 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -23.052 -0.502 4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.863 0.662 3.179 1.00 0.00 H new ATOM 1317 N SER A 91 -19.550 1.695 7.224 1.00 0.00 N ATOM 1318 CA SER A 91 -19.104 1.437 8.588 1.00 0.00 C ATOM 1319 C SER A 91 -17.804 2.179 8.884 1.00 0.00 C ATOM 1320 O SER A 91 -16.952 2.334 8.009 1.00 0.00 O ATOM 1321 CB SER A 91 -18.909 -0.064 8.808 1.00 0.00 C ATOM 1322 OG SER A 91 -17.858 -0.566 8.000 1.00 0.00 O ATOM 0 H SER A 91 -18.796 1.880 6.562 1.00 0.00 H new ATOM 0 HA SER A 91 -19.873 1.800 9.270 1.00 0.00 H new ATOM 0 HB2 SER A 91 -18.688 -0.255 9.858 1.00 0.00 H new ATOM 0 HB3 SER A 91 -19.834 -0.592 8.576 1.00 0.00 H new ATOM 0 HG SER A 91 -17.752 -1.527 8.160 1.00 0.00 H new ATOM 1328 N SER A 92 -17.660 2.636 10.124 1.00 0.00 N ATOM 1329 CA SER A 92 -16.467 3.365 10.536 1.00 0.00 C ATOM 1330 C SER A 92 -15.467 2.433 11.214 1.00 0.00 C ATOM 1331 O SER A 92 -15.833 1.631 12.072 1.00 0.00 O ATOM 1332 CB SER A 92 -16.842 4.506 11.484 1.00 0.00 C ATOM 1333 OG SER A 92 -15.934 5.587 11.366 1.00 0.00 O ATOM 0 H SER A 92 -18.355 2.514 10.861 1.00 0.00 H new ATOM 0 HA SER A 92 -16.001 3.782 9.644 1.00 0.00 H new ATOM 0 HB2 SER A 92 -17.852 4.850 11.262 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.847 4.142 12.511 1.00 0.00 H new ATOM 0 HG SER A 92 -16.197 6.304 11.981 1.00 0.00 H new ATOM 1339 N GLY A 93 -14.202 2.546 10.821 1.00 0.00 N ATOM 1340 CA GLY A 93 -13.168 1.708 11.400 1.00 0.00 C ATOM 1341 C GLY A 93 -12.208 1.168 10.358 1.00 0.00 C ATOM 1342 O GLY A 93 -11.279 0.429 10.684 1.00 0.00 O ATOM 0 H GLY A 93 -13.875 3.203 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.611 2.283 12.140 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.633 0.875 11.928 1.00 0.00 H new TER 1346 GLY A 93