USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 709 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 6 SER OG : rot 125:sc= 0 USER MOD Set 1.2: A 19 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Set 2.1: A 1 GLY N :NH3+ 166:sc= 1.77 (180deg=0) USER MOD Set 2.2: A 3 SER OG : rot 174:sc= 0.515 USER MOD Set 2.3: A 41 GLN : amide:sc= 1.53 K(o=3.8,f=-5.1!) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00294 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0599 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0995 K(o=-0.1,f=-3.4!) USER MOD Single : A 24 SER OG : rot -34:sc= 0.604 USER MOD Single : A 25 LYS NZ :NH3+ 135:sc= 0.297 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00455 USER MOD Single : A 29 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.45) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0345 K(o=-0.034,f=-0.72) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 81:sc= 1.16 USER MOD Single : A 54 ASN : amide:sc= -0.0205 K(o=-0.021,f=-1.2!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -0.148 (180deg=-1.33!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.077 -17.455 -1.377 1.00 0.00 N ATOM 2 CA GLY A 1 -7.679 -17.799 -1.090 1.00 0.00 C ATOM 3 C GLY A 1 -6.776 -16.967 -1.971 1.00 0.00 C ATOM 4 O GLY A 1 -6.701 -15.753 -1.779 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.704 -18.173 -0.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.297 -16.525 -0.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.222 -17.423 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.454 -17.614 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.508 -18.860 -1.271 1.00 0.00 H new ATOM 8 N SER A 2 -6.114 -17.599 -2.939 1.00 0.00 N ATOM 9 CA SER A 2 -5.649 -16.971 -4.166 1.00 0.00 C ATOM 10 C SER A 2 -6.598 -17.463 -5.264 1.00 0.00 C ATOM 11 O SER A 2 -6.325 -18.461 -5.934 1.00 0.00 O ATOM 12 CB SER A 2 -4.163 -17.288 -4.421 1.00 0.00 C ATOM 13 OG SER A 2 -3.758 -18.552 -3.913 1.00 0.00 O ATOM 0 H SER A 2 -5.882 -18.591 -2.886 1.00 0.00 H new ATOM 0 HA SER A 2 -5.678 -15.882 -4.122 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.972 -17.258 -5.494 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.550 -16.509 -3.967 1.00 0.00 H new ATOM 0 HG SER A 2 -2.808 -18.694 -4.108 1.00 0.00 H new ATOM 19 N SER A 3 -7.755 -16.812 -5.377 1.00 0.00 N ATOM 20 CA SER A 3 -8.888 -17.275 -6.165 1.00 0.00 C ATOM 21 C SER A 3 -9.204 -16.192 -7.202 1.00 0.00 C ATOM 22 O SER A 3 -9.865 -15.206 -6.865 1.00 0.00 O ATOM 23 CB SER A 3 -10.080 -17.584 -5.233 1.00 0.00 C ATOM 24 OG SER A 3 -9.717 -18.352 -4.087 1.00 0.00 O ATOM 0 H SER A 3 -7.931 -15.923 -4.908 1.00 0.00 H new ATOM 0 HA SER A 3 -8.663 -18.203 -6.691 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.529 -16.646 -4.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.842 -18.123 -5.796 1.00 0.00 H new ATOM 0 HG SER A 3 -10.489 -18.432 -3.489 1.00 0.00 H new ATOM 30 N GLY A 4 -8.691 -16.337 -8.426 1.00 0.00 N ATOM 31 CA GLY A 4 -8.964 -15.450 -9.555 1.00 0.00 C ATOM 32 C GLY A 4 -8.483 -14.013 -9.325 1.00 0.00 C ATOM 33 O GLY A 4 -9.273 -13.135 -8.962 1.00 0.00 O ATOM 0 H GLY A 4 -8.055 -17.098 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.481 -15.849 -10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.036 -15.440 -9.750 1.00 0.00 H new ATOM 37 N SER A 5 -7.186 -13.764 -9.506 1.00 0.00 N ATOM 38 CA SER A 5 -6.579 -12.441 -9.467 1.00 0.00 C ATOM 39 C SER A 5 -6.878 -11.717 -10.781 1.00 0.00 C ATOM 40 O SER A 5 -6.578 -12.244 -11.852 1.00 0.00 O ATOM 41 CB SER A 5 -5.066 -12.582 -9.243 1.00 0.00 C ATOM 42 OG SER A 5 -4.437 -11.321 -9.080 1.00 0.00 O ATOM 0 H SER A 5 -6.510 -14.505 -9.690 1.00 0.00 H new ATOM 0 HA SER A 5 -6.993 -11.856 -8.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.885 -13.195 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.620 -13.104 -10.090 1.00 0.00 H new ATOM 0 HG SER A 5 -3.476 -11.451 -8.938 1.00 0.00 H new ATOM 48 N SER A 6 -7.403 -10.492 -10.700 1.00 0.00 N ATOM 49 CA SER A 6 -7.590 -9.579 -11.830 1.00 0.00 C ATOM 50 C SER A 6 -8.244 -10.256 -13.042 1.00 0.00 C ATOM 51 O SER A 6 -7.804 -10.091 -14.181 1.00 0.00 O ATOM 52 CB SER A 6 -6.272 -8.852 -12.132 1.00 0.00 C ATOM 53 OG SER A 6 -5.829 -8.162 -10.970 1.00 0.00 O ATOM 0 H SER A 6 -7.720 -10.095 -9.816 1.00 0.00 H new ATOM 0 HA SER A 6 -8.315 -8.814 -11.552 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.515 -9.568 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.413 -8.149 -12.953 1.00 0.00 H new ATOM 0 HG SER A 6 -4.917 -8.445 -10.749 1.00 0.00 H new ATOM 59 N GLY A 7 -9.334 -10.983 -12.785 1.00 0.00 N ATOM 60 CA GLY A 7 -10.146 -11.699 -13.761 1.00 0.00 C ATOM 61 C GLY A 7 -10.986 -10.789 -14.657 1.00 0.00 C ATOM 62 O GLY A 7 -12.074 -11.174 -15.095 1.00 0.00 O ATOM 0 H GLY A 7 -9.690 -11.091 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.492 -12.306 -14.388 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.809 -12.385 -13.234 1.00 0.00 H new ATOM 66 N ASP A 8 -10.537 -9.569 -14.924 1.00 0.00 N ATOM 67 CA ASP A 8 -11.225 -8.555 -15.711 1.00 0.00 C ATOM 68 C ASP A 8 -10.179 -7.574 -16.241 1.00 0.00 C ATOM 69 O ASP A 8 -9.086 -7.472 -15.679 1.00 0.00 O ATOM 70 CB ASP A 8 -12.264 -7.862 -14.823 1.00 0.00 C ATOM 71 CG ASP A 8 -12.619 -6.485 -15.342 1.00 0.00 C ATOM 72 OD1 ASP A 8 -13.324 -6.403 -16.372 1.00 0.00 O ATOM 73 OD2 ASP A 8 -12.115 -5.506 -14.755 1.00 0.00 O ATOM 0 H ASP A 8 -9.634 -9.244 -14.578 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.751 -8.992 -16.560 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.164 -8.474 -14.772 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.877 -7.779 -13.808 1.00 0.00 H new ATOM 78 N ARG A 9 -10.496 -6.855 -17.320 1.00 0.00 N ATOM 79 CA ARG A 9 -9.544 -6.025 -18.052 1.00 0.00 C ATOM 80 C ARG A 9 -9.583 -4.549 -17.629 1.00 0.00 C ATOM 81 O ARG A 9 -8.989 -3.718 -18.314 1.00 0.00 O ATOM 82 CB ARG A 9 -9.801 -6.214 -19.565 1.00 0.00 C ATOM 83 CG ARG A 9 -8.534 -6.037 -20.421 1.00 0.00 C ATOM 84 CD ARG A 9 -7.721 -7.337 -20.447 1.00 0.00 C ATOM 85 NE ARG A 9 -6.361 -7.138 -20.975 1.00 0.00 N ATOM 86 CZ ARG A 9 -5.475 -8.130 -21.131 1.00 0.00 C ATOM 87 NH1 ARG A 9 -5.838 -9.400 -21.023 1.00 0.00 N ATOM 88 NH2 ARG A 9 -4.197 -7.860 -21.348 1.00 0.00 N ATOM 0 H ARG A 9 -11.437 -6.835 -17.714 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.532 -6.349 -17.810 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.211 -7.209 -19.736 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.555 -5.498 -19.891 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.810 -5.753 -21.436 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.925 -5.228 -20.018 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.660 -7.744 -19.438 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.241 -8.075 -21.058 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.078 -6.193 -21.236 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.808 -9.637 -20.817 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.147 -10.140 -21.146 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.882 -6.891 -21.397 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.528 -8.621 -21.466 1.00 0.00 H new ATOM 102 N VAL A 10 -10.305 -4.162 -16.577 1.00 0.00 N ATOM 103 CA VAL A 10 -10.434 -2.765 -16.164 1.00 0.00 C ATOM 104 C VAL A 10 -10.380 -2.701 -14.639 1.00 0.00 C ATOM 105 O VAL A 10 -11.391 -2.612 -13.940 1.00 0.00 O ATOM 106 CB VAL A 10 -11.650 -2.108 -16.856 1.00 0.00 C ATOM 107 CG1 VAL A 10 -12.951 -2.911 -16.768 1.00 0.00 C ATOM 108 CG2 VAL A 10 -11.890 -0.670 -16.390 1.00 0.00 C ATOM 0 H VAL A 10 -10.820 -4.813 -15.984 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.599 -2.151 -16.502 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.365 -2.095 -17.908 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.747 -2.371 -17.281 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.810 -3.884 -17.238 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.223 -3.050 -15.722 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.756 -0.259 -16.909 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.073 -0.662 -15.316 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.012 -0.064 -16.613 1.00 0.00 H new ATOM 118 N THR A 11 -9.164 -2.790 -14.111 1.00 0.00 N ATOM 119 CA THR A 11 -8.917 -2.671 -12.687 1.00 0.00 C ATOM 120 C THR A 11 -9.359 -1.282 -12.220 1.00 0.00 C ATOM 121 O THR A 11 -9.001 -0.280 -12.844 1.00 0.00 O ATOM 122 CB THR A 11 -7.421 -2.874 -12.414 1.00 0.00 C ATOM 123 OG1 THR A 11 -6.821 -3.789 -13.318 1.00 0.00 O ATOM 124 CG2 THR A 11 -7.185 -3.355 -10.987 1.00 0.00 C ATOM 0 H THR A 11 -8.322 -2.947 -14.665 1.00 0.00 H new ATOM 0 HA THR A 11 -9.481 -3.428 -12.142 1.00 0.00 H new ATOM 0 HB THR A 11 -6.953 -1.900 -12.557 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.869 -3.883 -13.105 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.116 -3.491 -10.821 1.00 0.00 H new ATOM 0 HG22 THR A 11 -7.570 -2.615 -10.285 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.699 -4.304 -10.833 1.00 0.00 H new ATOM 132 N LEU A 12 -10.090 -1.224 -11.106 1.00 0.00 N ATOM 133 CA LEU A 12 -10.436 0.023 -10.432 1.00 0.00 C ATOM 134 C LEU A 12 -9.142 0.749 -10.050 1.00 0.00 C ATOM 135 O LEU A 12 -8.103 0.111 -9.861 1.00 0.00 O ATOM 136 CB LEU A 12 -11.285 -0.278 -9.181 1.00 0.00 C ATOM 137 CG LEU A 12 -12.783 -0.573 -9.410 1.00 0.00 C ATOM 138 CD1 LEU A 12 -13.530 0.653 -9.953 1.00 0.00 C ATOM 139 CD2 LEU A 12 -13.029 -1.783 -10.322 1.00 0.00 C ATOM 0 H LEU A 12 -10.462 -2.053 -10.643 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.023 0.660 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.845 -1.134 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.206 0.573 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.181 -0.821 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.581 0.403 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.449 1.474 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.092 0.954 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -14.102 -1.936 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.577 -1.602 -11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.584 -2.672 -9.875 1.00 0.00 H new ATOM 151 N GLU A 13 -9.191 2.077 -9.934 1.00 0.00 N ATOM 152 CA GLU A 13 -8.008 2.894 -9.674 1.00 0.00 C ATOM 153 C GLU A 13 -7.323 2.459 -8.373 1.00 0.00 C ATOM 154 O GLU A 13 -6.095 2.341 -8.352 1.00 0.00 O ATOM 155 CB GLU A 13 -8.361 4.394 -9.671 1.00 0.00 C ATOM 156 CG GLU A 13 -8.478 4.954 -11.099 1.00 0.00 C ATOM 157 CD GLU A 13 -8.839 6.445 -11.132 1.00 0.00 C ATOM 158 OE1 GLU A 13 -8.063 7.292 -10.620 1.00 0.00 O ATOM 159 OE2 GLU A 13 -9.907 6.786 -11.699 1.00 0.00 O ATOM 0 H GLU A 13 -10.053 2.615 -10.018 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.295 2.737 -10.484 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.302 4.545 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.597 4.947 -9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.533 4.803 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.236 4.390 -11.643 1.00 0.00 H new ATOM 166 N VAL A 14 -8.105 2.179 -7.322 1.00 0.00 N ATOM 167 CA VAL A 14 -7.636 1.635 -6.048 1.00 0.00 C ATOM 168 C VAL A 14 -6.933 0.299 -6.286 1.00 0.00 C ATOM 169 O VAL A 14 -5.723 0.219 -6.089 1.00 0.00 O ATOM 170 CB VAL A 14 -8.812 1.585 -5.044 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.519 0.845 -3.737 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.155 3.004 -4.594 1.00 0.00 C ATOM 0 H VAL A 14 -9.113 2.331 -7.339 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.886 2.281 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.602 1.066 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.404 0.865 -3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.253 -0.189 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.691 1.331 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.983 2.971 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.286 3.454 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.441 3.601 -5.460 1.00 0.00 H new ATOM 182 N GLY A 15 -7.646 -0.744 -6.722 1.00 0.00 N ATOM 183 CA GLY A 15 -7.085 -2.075 -6.923 1.00 0.00 C ATOM 184 C GLY A 15 -5.851 -2.086 -7.821 1.00 0.00 C ATOM 185 O GLY A 15 -4.984 -2.947 -7.653 1.00 0.00 O ATOM 0 H GLY A 15 -8.639 -0.683 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.823 -2.501 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.848 -2.720 -7.359 1.00 0.00 H new ATOM 189 N LYS A 16 -5.753 -1.144 -8.762 1.00 0.00 N ATOM 190 CA LYS A 16 -4.587 -0.993 -9.612 1.00 0.00 C ATOM 191 C LYS A 16 -3.417 -0.418 -8.824 1.00 0.00 C ATOM 192 O LYS A 16 -2.376 -1.063 -8.800 1.00 0.00 O ATOM 193 CB LYS A 16 -4.949 -0.172 -10.850 1.00 0.00 C ATOM 194 CG LYS A 16 -3.836 -0.246 -11.904 1.00 0.00 C ATOM 195 CD LYS A 16 -4.392 0.043 -13.304 1.00 0.00 C ATOM 196 CE LYS A 16 -3.372 -0.261 -14.406 1.00 0.00 C ATOM 197 NZ LYS A 16 -4.013 -0.324 -15.734 1.00 0.00 N ATOM 0 H LYS A 16 -6.489 -0.464 -8.951 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.259 -1.970 -9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.882 -0.541 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.117 0.867 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.053 0.473 -11.663 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.378 -1.235 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.289 -0.554 -13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.690 1.090 -13.366 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.599 0.508 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.878 -1.209 -14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.295 -0.531 -16.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.733 -1.074 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.463 0.589 -15.946 1.00 0.00 H new ATOM 211 N VAL A 17 -3.555 0.739 -8.166 1.00 0.00 N ATOM 212 CA VAL A 17 -2.456 1.345 -7.401 1.00 0.00 C ATOM 213 C VAL A 17 -1.978 0.388 -6.314 1.00 0.00 C ATOM 214 O VAL A 17 -0.777 0.282 -6.076 1.00 0.00 O ATOM 215 CB VAL A 17 -2.877 2.708 -6.808 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.856 3.274 -5.810 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.044 3.708 -7.957 1.00 0.00 C ATOM 0 H VAL A 17 -4.421 1.278 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.623 1.531 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.808 2.552 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.211 4.232 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.734 2.578 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.898 3.414 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.341 4.677 -7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.099 3.811 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.811 3.349 -8.643 1.00 0.00 H new ATOM 227 N ILE A 18 -2.905 -0.316 -5.667 1.00 0.00 N ATOM 228 CA ILE A 18 -2.597 -1.335 -4.683 1.00 0.00 C ATOM 229 C ILE A 18 -1.656 -2.357 -5.321 1.00 0.00 C ATOM 230 O ILE A 18 -0.539 -2.543 -4.827 1.00 0.00 O ATOM 231 CB ILE A 18 -3.911 -1.948 -4.158 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.669 -0.908 -3.314 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.646 -3.180 -3.289 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.080 -1.306 -2.888 1.00 0.00 C ATOM 0 H ILE A 18 -3.905 -0.187 -5.819 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.082 -0.919 -3.817 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.504 -2.247 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.084 -0.697 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.728 0.021 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.594 -3.587 -2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.124 -3.935 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.032 -2.897 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.522 -0.503 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.690 -1.486 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.036 -2.214 -2.287 1.00 0.00 H new ATOM 246 N GLN A 19 -2.106 -3.029 -6.386 1.00 0.00 N ATOM 247 CA GLN A 19 -1.358 -4.120 -6.969 1.00 0.00 C ATOM 248 C GLN A 19 -0.016 -3.596 -7.515 1.00 0.00 C ATOM 249 O GLN A 19 1.009 -4.244 -7.322 1.00 0.00 O ATOM 250 CB GLN A 19 -2.208 -4.810 -8.041 1.00 0.00 C ATOM 251 CG GLN A 19 -1.634 -6.191 -8.368 1.00 0.00 C ATOM 252 CD GLN A 19 -2.498 -6.913 -9.394 1.00 0.00 C ATOM 253 OE1 GLN A 19 -3.363 -7.821 -8.968 1.00 0.00 O flip ATOM 254 NE2 GLN A 19 -2.423 -6.610 -10.585 1.00 0.00 N flip ATOM 0 H GLN A 19 -2.989 -2.827 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.124 -4.869 -6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.236 -4.909 -7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.236 -4.198 -8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.619 -6.085 -8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.570 -6.787 -7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.749 -5.908 -10.891 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.034 -7.061 -11.265 1.00 0.00 H new ATOM 263 N GLN A 20 0.003 -2.410 -8.138 1.00 0.00 N ATOM 264 CA GLN A 20 1.187 -1.737 -8.643 1.00 0.00 C ATOM 265 C GLN A 20 2.202 -1.489 -7.532 1.00 0.00 C ATOM 266 O GLN A 20 3.396 -1.727 -7.721 1.00 0.00 O ATOM 267 CB GLN A 20 0.795 -0.384 -9.255 1.00 0.00 C ATOM 268 CG GLN A 20 0.326 -0.433 -10.710 1.00 0.00 C ATOM 269 CD GLN A 20 0.706 0.854 -11.444 1.00 0.00 C ATOM 270 OE1 GLN A 20 0.415 1.960 -10.986 1.00 0.00 O ATOM 271 NE2 GLN A 20 1.389 0.743 -12.573 1.00 0.00 N ATOM 0 H GLN A 20 -0.850 -1.877 -8.307 1.00 0.00 H new ATOM 0 HA GLN A 20 1.637 -2.383 -9.397 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.001 0.053 -8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.652 0.287 -9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.774 -1.290 -11.213 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.755 -0.572 -10.745 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.622 -0.180 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.682 1.580 -13.076 1.00 0.00 H new ATOM 280 N GLY A 21 1.758 -0.977 -6.387 1.00 0.00 N ATOM 281 CA GLY A 21 2.634 -0.676 -5.275 1.00 0.00 C ATOM 282 C GLY A 21 3.196 -1.950 -4.671 1.00 0.00 C ATOM 283 O GLY A 21 4.399 -2.018 -4.410 1.00 0.00 O ATOM 0 H GLY A 21 0.777 -0.761 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.450 -0.037 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.086 -0.119 -4.515 1.00 0.00 H new ATOM 287 N ARG A 22 2.348 -2.970 -4.488 1.00 0.00 N ATOM 288 CA ARG A 22 2.787 -4.280 -4.050 1.00 0.00 C ATOM 289 C ARG A 22 3.869 -4.816 -4.973 1.00 0.00 C ATOM 290 O ARG A 22 4.975 -5.102 -4.507 1.00 0.00 O ATOM 291 CB ARG A 22 1.608 -5.257 -4.030 1.00 0.00 C ATOM 292 CG ARG A 22 0.767 -5.176 -2.781 1.00 0.00 C ATOM 293 CD ARG A 22 0.090 -6.510 -2.422 1.00 0.00 C ATOM 294 NE ARG A 22 -0.596 -7.162 -3.550 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.163 -8.082 -4.422 1.00 0.00 C ATOM 296 NH1 ARG A 22 1.066 -8.581 -4.362 1.00 0.00 N ATOM 297 NH2 ARG A 22 -0.977 -8.518 -5.374 1.00 0.00 N ATOM 0 H ARG A 22 1.342 -2.900 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 22 3.192 -4.182 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.974 -5.064 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.989 -6.273 -4.134 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.394 -4.858 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.002 -4.411 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.843 -7.192 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.632 -6.335 -1.624 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.561 -6.864 -3.691 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.710 -8.265 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.366 -9.281 -5.041 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.927 -8.153 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.653 -9.218 -6.041 1.00 0.00 H new ATOM 311 N GLN A 23 3.551 -4.965 -6.258 1.00 0.00 N ATOM 312 CA GLN A 23 4.448 -5.530 -7.247 1.00 0.00 C ATOM 313 C GLN A 23 5.742 -4.718 -7.337 1.00 0.00 C ATOM 314 O GLN A 23 6.812 -5.295 -7.498 1.00 0.00 O ATOM 315 CB GLN A 23 3.695 -5.722 -8.575 1.00 0.00 C ATOM 316 CG GLN A 23 3.759 -4.590 -9.599 1.00 0.00 C ATOM 317 CD GLN A 23 2.882 -4.840 -10.833 1.00 0.00 C ATOM 318 OE1 GLN A 23 1.921 -4.119 -11.118 1.00 0.00 O ATOM 319 NE2 GLN A 23 3.199 -5.856 -11.609 1.00 0.00 N ATOM 0 H GLN A 23 2.646 -4.690 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 23 4.776 -6.525 -6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.078 -6.625 -9.050 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.646 -5.904 -8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.448 -3.660 -9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.793 -4.455 -9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.993 -6.450 -11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.650 -6.048 -12.447 1.00 0.00 H new ATOM 328 N SER A 24 5.683 -3.400 -7.129 1.00 0.00 N ATOM 329 CA SER A 24 6.866 -2.538 -7.137 1.00 0.00 C ATOM 330 C SER A 24 7.812 -2.789 -5.952 1.00 0.00 C ATOM 331 O SER A 24 8.885 -2.181 -5.923 1.00 0.00 O ATOM 332 CB SER A 24 6.442 -1.063 -7.162 1.00 0.00 C ATOM 333 OG SER A 24 7.560 -0.210 -7.370 1.00 0.00 O ATOM 0 H SER A 24 4.812 -2.901 -6.950 1.00 0.00 H new ATOM 0 HA SER A 24 7.423 -2.786 -8.040 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.709 -0.906 -7.954 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.955 -0.806 -6.221 1.00 0.00 H new ATOM 0 HG SER A 24 8.350 -0.594 -6.936 1.00 0.00 H new ATOM 339 N LYS A 25 7.444 -3.595 -4.954 1.00 0.00 N ATOM 340 CA LYS A 25 8.282 -3.911 -3.799 1.00 0.00 C ATOM 341 C LYS A 25 8.310 -5.416 -3.521 1.00 0.00 C ATOM 342 O LYS A 25 8.836 -5.829 -2.488 1.00 0.00 O ATOM 343 CB LYS A 25 7.786 -3.104 -2.592 1.00 0.00 C ATOM 344 CG LYS A 25 7.993 -1.593 -2.765 1.00 0.00 C ATOM 345 CD LYS A 25 7.600 -0.859 -1.483 1.00 0.00 C ATOM 346 CE LYS A 25 7.653 0.649 -1.728 1.00 0.00 C ATOM 347 NZ LYS A 25 7.595 1.422 -0.472 1.00 0.00 N ATOM 0 H LYS A 25 6.534 -4.056 -4.927 1.00 0.00 H new ATOM 0 HA LYS A 25 9.314 -3.628 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.726 -3.306 -2.436 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.310 -3.438 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.036 -1.386 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.394 -1.229 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.597 -1.154 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.276 -1.131 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.570 0.896 -2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.822 0.940 -2.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.310 2.177 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.650 1.844 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.784 0.791 0.333 1.00 0.00 H new ATOM 361 N GLY A 26 7.742 -6.245 -4.404 1.00 0.00 N ATOM 362 CA GLY A 26 7.597 -7.678 -4.183 1.00 0.00 C ATOM 363 C GLY A 26 6.819 -7.989 -2.903 1.00 0.00 C ATOM 364 O GLY A 26 7.118 -8.977 -2.228 1.00 0.00 O ATOM 0 H GLY A 26 7.368 -5.931 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.085 -8.125 -5.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.584 -8.137 -4.127 1.00 0.00 H new ATOM 368 N LEU A 27 5.861 -7.141 -2.517 1.00 0.00 N ATOM 369 CA LEU A 27 5.053 -7.351 -1.316 1.00 0.00 C ATOM 370 C LEU A 27 3.889 -8.257 -1.706 1.00 0.00 C ATOM 371 O LEU A 27 3.115 -7.888 -2.587 1.00 0.00 O ATOM 372 CB LEU A 27 4.562 -6.007 -0.747 1.00 0.00 C ATOM 373 CG LEU A 27 5.704 -5.100 -0.240 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.218 -3.654 -0.086 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.305 -5.575 1.089 1.00 0.00 C ATOM 0 H LEU A 27 5.625 -6.291 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 27 5.642 -7.821 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.003 -5.477 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.870 -6.199 0.073 1.00 0.00 H new ATOM 0 HG LEU A 27 6.489 -5.154 -0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.037 -3.031 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.874 -3.281 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.397 -3.620 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.102 -4.896 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.530 -5.588 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.711 -6.579 0.966 1.00 0.00 H new ATOM 387 N THR A 28 3.751 -9.436 -1.097 1.00 0.00 N ATOM 388 CA THR A 28 2.607 -10.308 -1.376 1.00 0.00 C ATOM 389 C THR A 28 1.337 -9.738 -0.714 1.00 0.00 C ATOM 390 O THR A 28 1.397 -8.799 0.083 1.00 0.00 O ATOM 391 CB THR A 28 2.935 -11.773 -1.047 1.00 0.00 C ATOM 392 OG1 THR A 28 1.891 -12.635 -1.453 1.00 0.00 O ATOM 393 CG2 THR A 28 3.211 -11.996 0.427 1.00 0.00 C ATOM 0 H THR A 28 4.410 -9.807 -0.413 1.00 0.00 H new ATOM 0 HA THR A 28 2.389 -10.323 -2.444 1.00 0.00 H new ATOM 0 HB THR A 28 3.844 -12.005 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.127 -13.560 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.436 -13.048 0.600 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.062 -11.387 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.334 -11.713 1.008 1.00 0.00 H new ATOM 401 N GLN A 29 0.164 -10.307 -0.999 1.00 0.00 N ATOM 402 CA GLN A 29 -1.077 -9.884 -0.354 1.00 0.00 C ATOM 403 C GLN A 29 -1.008 -10.109 1.166 1.00 0.00 C ATOM 404 O GLN A 29 -1.457 -9.254 1.924 1.00 0.00 O ATOM 405 CB GLN A 29 -2.281 -10.587 -0.997 1.00 0.00 C ATOM 406 CG GLN A 29 -2.492 -10.106 -2.444 1.00 0.00 C ATOM 407 CD GLN A 29 -3.578 -10.893 -3.173 1.00 0.00 C ATOM 408 OE1 GLN A 29 -3.710 -12.106 -3.008 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.326 -10.246 -4.043 1.00 0.00 N ATOM 0 H GLN A 29 0.049 -11.063 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.209 -8.813 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.125 -11.666 -0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.178 -10.390 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.758 -9.049 -2.436 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.554 -10.195 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.207 -9.241 -4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.024 -10.750 -4.589 1.00 0.00 H new ATOM 418 N LYS A 30 -0.389 -11.200 1.635 1.00 0.00 N ATOM 419 CA LYS A 30 -0.097 -11.407 3.055 1.00 0.00 C ATOM 420 C LYS A 30 0.792 -10.304 3.643 1.00 0.00 C ATOM 421 O LYS A 30 0.634 -9.977 4.818 1.00 0.00 O ATOM 422 CB LYS A 30 0.540 -12.780 3.270 1.00 0.00 C ATOM 423 CG LYS A 30 -0.512 -13.884 3.480 1.00 0.00 C ATOM 424 CD LYS A 30 0.158 -15.225 3.191 1.00 0.00 C ATOM 425 CE LYS A 30 -0.744 -16.451 3.383 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.784 -16.590 2.351 1.00 0.00 N ATOM 0 H LYS A 30 -0.077 -11.965 1.037 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.048 -11.362 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.159 -13.030 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.200 -12.740 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.894 -13.859 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.364 -13.731 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.524 -15.218 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.028 -15.327 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.126 -17.349 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.221 -16.390 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.354 -17.438 2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.398 -15.751 2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.336 -16.680 1.417 1.00 0.00 H new ATOM 440 N ASP A 31 1.709 -9.717 2.868 1.00 0.00 N ATOM 441 CA ASP A 31 2.555 -8.631 3.364 1.00 0.00 C ATOM 442 C ASP A 31 1.692 -7.391 3.554 1.00 0.00 C ATOM 443 O ASP A 31 1.893 -6.635 4.502 1.00 0.00 O ATOM 444 CB ASP A 31 3.710 -8.269 2.410 1.00 0.00 C ATOM 445 CG ASP A 31 4.867 -9.259 2.364 1.00 0.00 C ATOM 446 OD1 ASP A 31 5.222 -9.834 3.416 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.454 -9.395 1.267 1.00 0.00 O ATOM 0 H ASP A 31 1.883 -9.976 1.897 1.00 0.00 H new ATOM 0 HA ASP A 31 2.998 -8.975 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.305 -8.165 1.403 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.102 -7.294 2.698 1.00 0.00 H new ATOM 452 N LEU A 32 0.748 -7.135 2.642 1.00 0.00 N ATOM 453 CA LEU A 32 -0.157 -5.989 2.736 1.00 0.00 C ATOM 454 C LEU A 32 -1.039 -6.159 3.972 1.00 0.00 C ATOM 455 O LEU A 32 -1.142 -5.244 4.787 1.00 0.00 O ATOM 456 CB LEU A 32 -1.005 -5.881 1.453 1.00 0.00 C ATOM 457 CG LEU A 32 -1.436 -4.456 1.050 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.992 -3.604 2.196 1.00 0.00 C ATOM 459 CD2 LEU A 32 -0.274 -3.720 0.380 1.00 0.00 C ATOM 0 H LEU A 32 0.591 -7.717 1.819 1.00 0.00 H new ATOM 0 HA LEU A 32 0.413 -5.065 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.439 -6.316 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.901 -6.489 1.580 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.262 -4.594 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.268 -2.620 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.872 -4.090 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.232 -3.495 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.592 -2.716 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.564 -3.655 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.035 -4.264 -0.513 1.00 0.00 H new ATOM 471 N ALA A 33 -1.616 -7.354 4.125 1.00 0.00 N ATOM 472 CA ALA A 33 -2.459 -7.766 5.238 1.00 0.00 C ATOM 473 C ALA A 33 -1.751 -7.457 6.553 1.00 0.00 C ATOM 474 O ALA A 33 -2.308 -6.774 7.407 1.00 0.00 O ATOM 475 CB ALA A 33 -2.764 -9.262 5.083 1.00 0.00 C ATOM 0 H ALA A 33 -1.498 -8.096 3.435 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.402 -7.220 5.242 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.395 -9.592 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.282 -9.432 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.831 -9.826 5.092 1.00 0.00 H new ATOM 481 N THR A 34 -0.502 -7.898 6.678 1.00 0.00 N ATOM 482 CA THR A 34 0.355 -7.658 7.826 1.00 0.00 C ATOM 483 C THR A 34 0.606 -6.152 8.023 1.00 0.00 C ATOM 484 O THR A 34 0.450 -5.626 9.129 1.00 0.00 O ATOM 485 CB THR A 34 1.644 -8.467 7.604 1.00 0.00 C ATOM 486 OG1 THR A 34 1.314 -9.834 7.406 1.00 0.00 O ATOM 487 CG2 THR A 34 2.596 -8.352 8.791 1.00 0.00 C ATOM 0 H THR A 34 -0.046 -8.452 5.953 1.00 0.00 H new ATOM 0 HA THR A 34 -0.117 -7.987 8.752 1.00 0.00 H new ATOM 0 HB THR A 34 2.145 -8.062 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.173 -10.001 6.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.494 -8.938 8.595 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.869 -7.307 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.106 -8.729 9.688 1.00 0.00 H new ATOM 495 N LYS A 35 0.952 -5.421 6.957 1.00 0.00 N ATOM 496 CA LYS A 35 1.249 -3.992 7.016 1.00 0.00 C ATOM 497 C LYS A 35 0.058 -3.124 7.425 1.00 0.00 C ATOM 498 O LYS A 35 0.284 -1.990 7.853 1.00 0.00 O ATOM 499 CB LYS A 35 1.788 -3.523 5.656 1.00 0.00 C ATOM 500 CG LYS A 35 3.318 -3.651 5.551 1.00 0.00 C ATOM 501 CD LYS A 35 3.857 -2.717 4.461 1.00 0.00 C ATOM 502 CE LYS A 35 5.295 -3.022 4.023 1.00 0.00 C ATOM 503 NZ LYS A 35 6.296 -2.495 4.966 1.00 0.00 N ATOM 0 H LYS A 35 1.034 -5.814 6.019 1.00 0.00 H new ATOM 0 HA LYS A 35 1.998 -3.867 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.323 -4.109 4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.502 -2.484 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.777 -3.406 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.589 -4.682 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.204 -2.778 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.810 -1.690 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.422 -4.101 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.469 -2.593 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.251 -2.727 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.196 -1.462 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.150 -2.923 5.903 1.00 0.00 H new ATOM 517 N ILE A 36 -1.183 -3.588 7.298 1.00 0.00 N ATOM 518 CA ILE A 36 -2.367 -2.871 7.781 1.00 0.00 C ATOM 519 C ILE A 36 -3.010 -3.598 8.968 1.00 0.00 C ATOM 520 O ILE A 36 -3.943 -3.070 9.555 1.00 0.00 O ATOM 521 CB ILE A 36 -3.339 -2.565 6.626 1.00 0.00 C ATOM 522 CG1 ILE A 36 -4.039 -3.817 6.074 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.617 -1.789 5.511 1.00 0.00 C ATOM 524 CD1 ILE A 36 -5.160 -3.448 5.101 1.00 0.00 C ATOM 0 H ILE A 36 -1.400 -4.480 6.853 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.059 -1.900 8.169 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.132 -1.940 7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.310 -4.450 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.449 -4.400 6.899 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.316 -1.580 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.233 -0.850 5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.789 -2.386 5.130 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.634 -4.357 4.730 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.901 -2.836 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.745 -2.887 4.264 1.00 0.00 H new ATOM 536 N ASN A 37 -2.480 -4.754 9.368 1.00 0.00 N ATOM 537 CA ASN A 37 -3.096 -5.698 10.299 1.00 0.00 C ATOM 538 C ASN A 37 -4.585 -5.939 9.993 1.00 0.00 C ATOM 539 O ASN A 37 -5.475 -5.501 10.726 1.00 0.00 O ATOM 540 CB ASN A 37 -2.835 -5.291 11.757 1.00 0.00 C ATOM 541 CG ASN A 37 -3.403 -6.320 12.722 1.00 0.00 C ATOM 542 OD1 ASN A 37 -3.430 -7.514 12.439 1.00 0.00 O ATOM 543 ND2 ASN A 37 -3.882 -5.891 13.874 1.00 0.00 N ATOM 0 H ASN A 37 -1.569 -5.071 9.037 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.614 -6.665 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.763 -5.186 11.922 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.285 -4.317 11.952 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.280 -6.554 14.540 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.855 -4.897 14.099 1.00 0.00 H new ATOM 550 N GLU A 38 -4.844 -6.649 8.898 1.00 0.00 N ATOM 551 CA GLU A 38 -6.116 -7.252 8.514 1.00 0.00 C ATOM 552 C GLU A 38 -5.854 -8.633 7.900 1.00 0.00 C ATOM 553 O GLU A 38 -4.695 -9.031 7.771 1.00 0.00 O ATOM 554 CB GLU A 38 -6.834 -6.336 7.510 1.00 0.00 C ATOM 555 CG GLU A 38 -8.019 -5.606 8.141 1.00 0.00 C ATOM 556 CD GLU A 38 -9.236 -6.506 8.391 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.073 -7.727 8.647 1.00 0.00 O ATOM 558 OE2 GLU A 38 -10.374 -5.993 8.390 1.00 0.00 O ATOM 0 H GLU A 38 -4.117 -6.831 8.206 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.754 -7.373 9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.127 -5.606 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.183 -6.929 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.702 -5.168 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.315 -4.782 7.491 1.00 0.00 H new ATOM 565 N LYS A 39 -6.901 -9.377 7.523 1.00 0.00 N ATOM 566 CA LYS A 39 -6.787 -10.680 6.875 1.00 0.00 C ATOM 567 C LYS A 39 -6.473 -10.550 5.379 1.00 0.00 C ATOM 568 O LYS A 39 -7.078 -9.719 4.705 1.00 0.00 O ATOM 569 CB LYS A 39 -8.102 -11.434 7.053 1.00 0.00 C ATOM 570 CG LYS A 39 -8.490 -11.460 8.540 1.00 0.00 C ATOM 571 CD LYS A 39 -9.209 -12.740 8.912 1.00 0.00 C ATOM 572 CE LYS A 39 -10.664 -12.704 8.448 1.00 0.00 C ATOM 573 NZ LYS A 39 -11.386 -13.946 8.767 1.00 0.00 N ATOM 0 H LYS A 39 -7.867 -9.081 7.664 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.963 -11.222 7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.889 -10.954 6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.002 -12.452 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.594 -11.356 9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.129 -10.606 8.764 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.700 -13.592 8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.171 -12.882 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.171 -11.861 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.695 -12.535 7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.368 -13.872 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.920 -14.749 8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.381 -14.096 9.796 1.00 0.00 H new ATOM 587 N PRO A 40 -5.625 -11.411 4.794 1.00 0.00 N ATOM 588 CA PRO A 40 -5.257 -11.343 3.385 1.00 0.00 C ATOM 589 C PRO A 40 -6.396 -11.634 2.396 1.00 0.00 C ATOM 590 O PRO A 40 -6.221 -11.363 1.207 1.00 0.00 O ATOM 591 CB PRO A 40 -4.052 -12.271 3.212 1.00 0.00 C ATOM 592 CG PRO A 40 -4.095 -13.201 4.422 1.00 0.00 C ATOM 593 CD PRO A 40 -4.869 -12.431 5.485 1.00 0.00 C ATOM 0 HA PRO A 40 -5.005 -10.314 3.129 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.116 -12.832 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.120 -11.707 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.588 -14.142 4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.091 -13.447 4.766 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.532 -13.096 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.189 -11.984 6.210 1.00 0.00 H new ATOM 601 N GLN A 41 -7.559 -12.138 2.823 1.00 0.00 N ATOM 602 CA GLN A 41 -8.715 -12.200 1.933 1.00 0.00 C ATOM 603 C GLN A 41 -9.361 -10.819 1.758 1.00 0.00 C ATOM 604 O GLN A 41 -9.933 -10.571 0.697 1.00 0.00 O ATOM 605 CB GLN A 41 -9.719 -13.263 2.406 1.00 0.00 C ATOM 606 CG GLN A 41 -10.872 -13.496 1.414 1.00 0.00 C ATOM 607 CD GLN A 41 -10.403 -13.915 0.013 1.00 0.00 C ATOM 608 OE1 GLN A 41 -9.998 -15.052 -0.228 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.476 -13.048 -0.979 1.00 0.00 N ATOM 0 H GLN A 41 -7.720 -12.502 3.762 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.368 -12.508 0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.192 -14.204 2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.132 -12.960 3.368 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.533 -14.266 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.460 -12.582 1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.809 -12.100 -0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.200 -13.326 -1.921 1.00 0.00 H new ATOM 618 N VAL A 42 -9.271 -9.890 2.723 1.00 0.00 N ATOM 619 CA VAL A 42 -9.769 -8.536 2.459 1.00 0.00 C ATOM 620 C VAL A 42 -8.864 -7.888 1.419 1.00 0.00 C ATOM 621 O VAL A 42 -9.350 -7.196 0.538 1.00 0.00 O ATOM 622 CB VAL A 42 -10.018 -7.678 3.723 1.00 0.00 C ATOM 623 CG1 VAL A 42 -10.603 -8.534 4.852 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.828 -6.858 4.243 1.00 0.00 C ATOM 0 H VAL A 42 -8.877 -10.042 3.651 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.777 -8.610 2.050 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.735 -6.929 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.770 -7.912 5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.550 -8.966 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.905 -9.334 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.130 -6.301 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.007 -7.529 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.501 -6.161 3.471 1.00 0.00 H new ATOM 634 N ILE A 43 -7.561 -8.169 1.458 1.00 0.00 N ATOM 635 CA ILE A 43 -6.577 -7.622 0.533 1.00 0.00 C ATOM 636 C ILE A 43 -6.932 -8.016 -0.908 1.00 0.00 C ATOM 637 O ILE A 43 -7.001 -7.154 -1.787 1.00 0.00 O ATOM 638 CB ILE A 43 -5.179 -8.094 0.981 1.00 0.00 C ATOM 639 CG1 ILE A 43 -4.873 -7.709 2.442 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.050 -7.610 0.071 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.084 -6.240 2.812 1.00 0.00 C ATOM 0 H ILE A 43 -7.155 -8.798 2.151 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.577 -6.532 0.548 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.217 -9.181 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.497 -8.320 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.837 -7.970 2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.096 -7.980 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.212 -7.984 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.036 -6.520 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.837 -6.090 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.440 -5.613 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.126 -5.968 2.642 1.00 0.00 H new ATOM 653 N ALA A 44 -7.181 -9.302 -1.160 1.00 0.00 N ATOM 654 CA ALA A 44 -7.600 -9.760 -2.483 1.00 0.00 C ATOM 655 C ALA A 44 -8.962 -9.168 -2.897 1.00 0.00 C ATOM 656 O ALA A 44 -9.206 -8.897 -4.078 1.00 0.00 O ATOM 657 CB ALA A 44 -7.627 -11.287 -2.494 1.00 0.00 C ATOM 0 H ALA A 44 -7.099 -10.044 -0.465 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.880 -9.406 -3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.939 -11.638 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.631 -11.670 -2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.330 -11.644 -1.742 1.00 0.00 H new ATOM 663 N ASP A 45 -9.857 -8.922 -1.942 1.00 0.00 N ATOM 664 CA ASP A 45 -11.136 -8.277 -2.222 1.00 0.00 C ATOM 665 C ASP A 45 -10.947 -6.775 -2.495 1.00 0.00 C ATOM 666 O ASP A 45 -11.725 -6.207 -3.261 1.00 0.00 O ATOM 667 CB ASP A 45 -12.136 -8.517 -1.082 1.00 0.00 C ATOM 668 CG ASP A 45 -12.859 -9.862 -1.168 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.220 -10.907 -1.411 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.091 -9.887 -0.938 1.00 0.00 O ATOM 0 H ASP A 45 -9.717 -9.162 -0.961 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.550 -8.728 -3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.608 -8.459 -0.130 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.876 -7.717 -1.086 1.00 0.00 H new ATOM 675 N TYR A 46 -9.915 -6.130 -1.937 1.00 0.00 N ATOM 676 CA TYR A 46 -9.554 -4.730 -2.174 1.00 0.00 C ATOM 677 C TYR A 46 -9.024 -4.538 -3.591 1.00 0.00 C ATOM 678 O TYR A 46 -9.363 -3.531 -4.210 1.00 0.00 O ATOM 679 CB TYR A 46 -8.522 -4.219 -1.149 1.00 0.00 C ATOM 680 CG TYR A 46 -9.114 -3.376 -0.033 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.298 -1.990 -0.202 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.461 -3.973 1.191 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.900 -1.230 0.820 1.00 0.00 C ATOM 684 CE2 TYR A 46 -10.062 -3.228 2.214 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.341 -1.859 2.007 1.00 0.00 C ATOM 686 OH TYR A 46 -11.069 -1.172 2.930 1.00 0.00 O ATOM 0 H TYR A 46 -9.284 -6.590 -1.281 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.464 -4.142 -2.053 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.010 -5.075 -0.709 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.768 -3.631 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.978 -1.510 -1.115 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.261 -5.023 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.025 -0.164 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.310 -3.697 3.154 1.00 0.00 H new ATOM 0 HH TYR A 46 -11.286 -1.763 3.681 1.00 0.00 H new ATOM 696 N GLU A 47 -8.256 -5.497 -4.123 1.00 0.00 N ATOM 697 CA GLU A 47 -7.920 -5.551 -5.548 1.00 0.00 C ATOM 698 C GLU A 47 -9.218 -5.547 -6.354 1.00 0.00 C ATOM 699 O GLU A 47 -9.453 -4.663 -7.177 1.00 0.00 O ATOM 700 CB GLU A 47 -7.131 -6.828 -5.874 1.00 0.00 C ATOM 701 CG GLU A 47 -5.616 -6.709 -5.769 1.00 0.00 C ATOM 702 CD GLU A 47 -4.914 -8.019 -6.154 1.00 0.00 C ATOM 703 OE1 GLU A 47 -5.553 -8.998 -6.614 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.693 -8.106 -5.887 1.00 0.00 O ATOM 0 H GLU A 47 -7.851 -6.257 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.304 -4.688 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.463 -7.620 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.384 -7.141 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.268 -5.906 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.342 -6.436 -4.750 1.00 0.00 H new ATOM 711 N SER A 48 -10.078 -6.524 -6.067 1.00 0.00 N ATOM 712 CA SER A 48 -11.293 -6.793 -6.822 1.00 0.00 C ATOM 713 C SER A 48 -12.335 -5.682 -6.713 1.00 0.00 C ATOM 714 O SER A 48 -13.257 -5.643 -7.522 1.00 0.00 O ATOM 715 CB SER A 48 -11.941 -8.051 -6.261 1.00 0.00 C ATOM 716 OG SER A 48 -11.010 -9.122 -6.147 1.00 0.00 O ATOM 0 H SER A 48 -9.942 -7.163 -5.284 1.00 0.00 H new ATOM 0 HA SER A 48 -10.995 -6.887 -7.866 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.367 -7.834 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.765 -8.354 -6.907 1.00 0.00 H new ATOM 0 HG SER A 48 -10.485 -9.013 -5.327 1.00 0.00 H new ATOM 722 N GLY A 49 -12.248 -4.831 -5.691 1.00 0.00 N ATOM 723 CA GLY A 49 -13.222 -3.791 -5.423 1.00 0.00 C ATOM 724 C GLY A 49 -14.325 -4.193 -4.448 1.00 0.00 C ATOM 725 O GLY A 49 -15.096 -3.340 -4.007 1.00 0.00 O ATOM 0 H GLY A 49 -11.482 -4.851 -5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.703 -2.919 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.680 -3.488 -6.365 1.00 0.00 H new ATOM 729 N ARG A 50 -14.425 -5.479 -4.104 1.00 0.00 N ATOM 730 CA ARG A 50 -15.512 -5.993 -3.272 1.00 0.00 C ATOM 731 C ARG A 50 -15.318 -5.669 -1.803 1.00 0.00 C ATOM 732 O ARG A 50 -16.278 -5.742 -1.029 1.00 0.00 O ATOM 733 CB ARG A 50 -15.643 -7.510 -3.414 1.00 0.00 C ATOM 734 CG ARG A 50 -15.873 -7.919 -4.877 1.00 0.00 C ATOM 735 CD ARG A 50 -16.615 -9.252 -5.032 1.00 0.00 C ATOM 736 NE ARG A 50 -16.426 -9.816 -6.381 1.00 0.00 N ATOM 737 CZ ARG A 50 -16.781 -9.279 -7.554 1.00 0.00 C ATOM 738 NH1 ARG A 50 -17.563 -8.209 -7.628 1.00 0.00 N ATOM 739 NH2 ARG A 50 -16.319 -9.834 -8.665 1.00 0.00 N ATOM 0 H ARG A 50 -13.755 -6.191 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.418 -5.501 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.740 -7.991 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.472 -7.864 -2.801 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.441 -7.136 -5.379 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.910 -7.988 -5.382 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.255 -9.960 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.678 -9.103 -4.843 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.969 -10.727 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.911 -7.772 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -17.815 -7.824 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.709 -10.650 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -16.573 -9.445 -9.573 1.00 0.00 H new ATOM 753 N ALA A 51 -14.086 -5.387 -1.383 1.00 0.00 N ATOM 754 CA ALA A 51 -13.868 -4.835 -0.067 1.00 0.00 C ATOM 755 C ALA A 51 -14.177 -3.350 -0.199 1.00 0.00 C ATOM 756 O ALA A 51 -13.501 -2.658 -0.967 1.00 0.00 O ATOM 757 CB ALA A 51 -12.434 -5.067 0.404 1.00 0.00 C ATOM 0 H ALA A 51 -13.240 -5.533 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.502 -5.313 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.304 -4.639 1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.232 -6.137 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.742 -4.590 -0.290 1.00 0.00 H new ATOM 763 N ILE A 52 -15.218 -2.882 0.487 1.00 0.00 N ATOM 764 CA ILE A 52 -15.742 -1.537 0.314 1.00 0.00 C ATOM 765 C ILE A 52 -14.698 -0.562 0.871 1.00 0.00 C ATOM 766 O ILE A 52 -14.428 -0.614 2.078 1.00 0.00 O ATOM 767 CB ILE A 52 -17.097 -1.397 1.018 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.123 -2.451 0.565 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.645 0.017 0.796 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.464 -2.481 -0.929 1.00 0.00 C ATOM 0 H ILE A 52 -15.722 -3.433 1.182 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.918 -1.316 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.931 -1.570 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.748 -3.435 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.046 -2.289 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.608 0.117 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -16.946 0.746 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -17.771 0.195 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.197 -3.265 -1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.878 -1.518 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.560 -2.681 -1.505 1.00 0.00 H new ATOM 782 N PRO A 53 -14.064 0.276 0.039 1.00 0.00 N ATOM 783 CA PRO A 53 -12.849 0.962 0.427 1.00 0.00 C ATOM 784 C PRO A 53 -13.169 2.144 1.348 1.00 0.00 C ATOM 785 O PRO A 53 -13.770 3.131 0.922 1.00 0.00 O ATOM 786 CB PRO A 53 -12.202 1.364 -0.904 1.00 0.00 C ATOM 787 CG PRO A 53 -13.383 1.559 -1.851 1.00 0.00 C ATOM 788 CD PRO A 53 -14.392 0.528 -1.355 1.00 0.00 C ATOM 0 HA PRO A 53 -12.164 0.349 1.012 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.618 2.279 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.524 0.591 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.781 2.572 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.102 1.382 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.411 0.902 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.331 -0.389 -1.941 1.00 0.00 H new ATOM 796 N ASN A 54 -12.721 2.067 2.605 1.00 0.00 N ATOM 797 CA ASN A 54 -13.035 3.048 3.647 1.00 0.00 C ATOM 798 C ASN A 54 -11.781 3.841 3.995 1.00 0.00 C ATOM 799 O ASN A 54 -10.696 3.255 4.029 1.00 0.00 O ATOM 800 CB ASN A 54 -13.548 2.334 4.906 1.00 0.00 C ATOM 801 CG ASN A 54 -14.246 3.279 5.874 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.781 4.316 5.484 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.306 2.939 7.148 1.00 0.00 N ATOM 0 H ASN A 54 -12.121 1.310 2.932 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.807 3.722 3.277 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.239 1.544 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.711 1.854 5.413 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.797 3.537 7.813 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.861 2.079 7.468 1.00 0.00 H new ATOM 810 N ASN A 55 -11.915 5.135 4.299 1.00 0.00 N ATOM 811 CA ASN A 55 -10.785 6.053 4.479 1.00 0.00 C ATOM 812 C ASN A 55 -9.752 5.555 5.490 1.00 0.00 C ATOM 813 O ASN A 55 -8.551 5.679 5.241 1.00 0.00 O ATOM 814 CB ASN A 55 -11.270 7.444 4.900 1.00 0.00 C ATOM 815 CG ASN A 55 -10.101 8.422 4.976 1.00 0.00 C ATOM 816 OD1 ASN A 55 -9.231 8.452 4.110 1.00 0.00 O ATOM 817 ND2 ASN A 55 -10.047 9.255 5.996 1.00 0.00 N ATOM 0 H ASN A 55 -12.823 5.581 4.429 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.294 6.105 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.010 7.808 4.187 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.764 7.384 5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.282 9.926 6.067 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.770 9.229 6.715 1.00 0.00 H new ATOM 824 N GLN A 56 -10.205 4.968 6.603 1.00 0.00 N ATOM 825 CA GLN A 56 -9.347 4.393 7.628 1.00 0.00 C ATOM 826 C GLN A 56 -8.365 3.416 6.987 1.00 0.00 C ATOM 827 O GLN A 56 -7.149 3.589 7.098 1.00 0.00 O ATOM 828 CB GLN A 56 -10.195 3.692 8.706 1.00 0.00 C ATOM 829 CG GLN A 56 -9.328 3.149 9.849 1.00 0.00 C ATOM 830 CD GLN A 56 -10.147 2.332 10.840 1.00 0.00 C ATOM 831 OE1 GLN A 56 -10.349 1.133 10.647 1.00 0.00 O ATOM 832 NE2 GLN A 56 -10.611 2.926 11.926 1.00 0.00 N ATOM 0 H GLN A 56 -11.199 4.881 6.815 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.782 5.190 8.111 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.926 4.394 9.106 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.754 2.873 8.253 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.531 2.529 9.438 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.850 3.979 10.369 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -10.438 3.920 12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -11.142 2.390 12.613 1.00 0.00 H new ATOM 841 N VAL A 57 -8.898 2.375 6.349 1.00 0.00 N ATOM 842 CA VAL A 57 -8.107 1.311 5.763 1.00 0.00 C ATOM 843 C VAL A 57 -7.285 1.866 4.609 1.00 0.00 C ATOM 844 O VAL A 57 -6.090 1.594 4.562 1.00 0.00 O ATOM 845 CB VAL A 57 -8.999 0.118 5.391 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.196 -0.937 4.623 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.553 -0.497 6.687 1.00 0.00 C ATOM 0 H VAL A 57 -9.903 2.252 6.227 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.394 0.920 6.488 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.814 0.459 4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.846 -1.774 4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.797 -0.497 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.374 -1.292 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.190 -1.347 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.726 -0.831 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.136 0.251 7.224 1.00 0.00 H new ATOM 857 N LEU A 58 -7.876 2.684 3.733 1.00 0.00 N ATOM 858 CA LEU A 58 -7.165 3.323 2.629 1.00 0.00 C ATOM 859 C LEU A 58 -5.911 4.030 3.147 1.00 0.00 C ATOM 860 O LEU A 58 -4.840 3.839 2.582 1.00 0.00 O ATOM 861 CB LEU A 58 -8.094 4.292 1.876 1.00 0.00 C ATOM 862 CG LEU A 58 -9.181 3.586 1.038 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.263 4.597 0.646 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.601 2.949 -0.231 1.00 0.00 C ATOM 0 H LEU A 58 -8.867 2.921 3.773 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.848 2.558 1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.576 4.953 2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.493 4.921 1.219 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.607 2.791 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.030 4.098 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.714 5.015 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.816 5.399 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.399 2.463 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.142 3.721 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.849 2.210 0.044 1.00 0.00 H new ATOM 876 N GLY A 59 -6.008 4.770 4.257 1.00 0.00 N ATOM 877 CA GLY A 59 -4.874 5.422 4.906 1.00 0.00 C ATOM 878 C GLY A 59 -3.770 4.442 5.311 1.00 0.00 C ATOM 879 O GLY A 59 -2.583 4.709 5.112 1.00 0.00 O ATOM 0 H GLY A 59 -6.894 4.933 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.458 6.170 4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.225 5.951 5.792 1.00 0.00 H new ATOM 883 N LYS A 60 -4.135 3.298 5.890 1.00 0.00 N ATOM 884 CA LYS A 60 -3.170 2.272 6.285 1.00 0.00 C ATOM 885 C LYS A 60 -2.496 1.698 5.045 1.00 0.00 C ATOM 886 O LYS A 60 -1.283 1.479 5.069 1.00 0.00 O ATOM 887 CB LYS A 60 -3.868 1.151 7.060 1.00 0.00 C ATOM 888 CG LYS A 60 -4.582 1.635 8.330 1.00 0.00 C ATOM 889 CD LYS A 60 -5.734 0.698 8.679 1.00 0.00 C ATOM 890 CE LYS A 60 -5.410 -0.607 9.349 1.00 0.00 C ATOM 891 NZ LYS A 60 -5.267 -0.531 10.810 1.00 0.00 N ATOM 0 H LYS A 60 -5.104 3.057 6.098 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.418 2.727 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.594 0.667 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.131 0.396 7.333 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.875 1.678 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.960 2.647 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.422 1.243 9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.272 0.475 7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.194 -1.326 9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.483 -0.996 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.044 -1.475 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.499 0.128 11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.157 -0.192 11.229 1.00 0.00 H new ATOM 905 N ILE A 61 -3.268 1.433 3.988 1.00 0.00 N ATOM 906 CA ILE A 61 -2.751 0.949 2.713 1.00 0.00 C ATOM 907 C ILE A 61 -1.782 1.984 2.135 1.00 0.00 C ATOM 908 O ILE A 61 -0.790 1.586 1.526 1.00 0.00 O ATOM 909 CB ILE A 61 -3.883 0.594 1.722 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.822 -0.500 2.264 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.309 0.107 0.372 1.00 0.00 C ATOM 912 CD1 ILE A 61 -6.033 -0.680 1.347 1.00 0.00 C ATOM 0 H ILE A 61 -4.281 1.551 3.997 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.209 0.019 2.886 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.453 1.513 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.280 -1.442 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.156 -0.235 3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.128 -0.136 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.696 0.894 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.698 -0.781 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.682 -1.458 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.585 0.258 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.696 -0.969 0.351 1.00 0.00 H new ATOM 924 N GLU A 62 -1.986 3.290 2.353 1.00 0.00 N ATOM 925 CA GLU A 62 -1.034 4.262 1.825 1.00 0.00 C ATOM 926 C GLU A 62 0.362 3.985 2.375 1.00 0.00 C ATOM 927 O GLU A 62 1.305 3.850 1.603 1.00 0.00 O ATOM 928 CB GLU A 62 -1.399 5.739 2.079 1.00 0.00 C ATOM 929 CG GLU A 62 -2.774 6.164 1.556 1.00 0.00 C ATOM 930 CD GLU A 62 -2.947 7.671 1.334 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.247 8.481 1.978 1.00 0.00 O ATOM 932 OE2 GLU A 62 -3.833 8.061 0.533 1.00 0.00 O ATOM 0 H GLU A 62 -2.772 3.682 2.872 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.066 4.128 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.361 5.928 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.640 6.370 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.962 5.650 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.534 5.826 2.261 1.00 0.00 H new ATOM 939 N ARG A 63 0.504 3.806 3.694 1.00 0.00 N ATOM 940 CA ARG A 63 1.801 3.444 4.281 1.00 0.00 C ATOM 941 C ARG A 63 2.238 2.032 3.905 1.00 0.00 C ATOM 942 O ARG A 63 3.424 1.723 4.003 1.00 0.00 O ATOM 943 CB ARG A 63 1.789 3.568 5.808 1.00 0.00 C ATOM 944 CG ARG A 63 1.231 4.901 6.303 1.00 0.00 C ATOM 945 CD ARG A 63 1.581 5.077 7.785 1.00 0.00 C ATOM 946 NE ARG A 63 0.809 6.158 8.410 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.425 6.066 8.912 1.00 0.00 C ATOM 948 NH1 ARG A 63 -1.110 4.934 8.794 1.00 0.00 N ATOM 949 NH2 ARG A 63 -0.951 7.109 9.535 1.00 0.00 N ATOM 0 H ARG A 63 -0.254 3.904 4.369 1.00 0.00 H new ATOM 0 HA ARG A 63 2.517 4.153 3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.195 2.756 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.805 3.446 6.183 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.647 5.722 5.719 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.150 4.929 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.392 4.144 8.315 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.646 5.289 7.883 1.00 0.00 H new ATOM 0 HE ARG A 63 1.260 7.071 8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.694 4.133 8.319 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.052 4.866 9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.415 7.972 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.893 7.050 9.922 1.00 0.00 H new ATOM 963 N ALA A 64 1.305 1.167 3.501 1.00 0.00 N ATOM 964 CA ALA A 64 1.619 -0.186 3.086 1.00 0.00 C ATOM 965 C ALA A 64 2.568 -0.146 1.885 1.00 0.00 C ATOM 966 O ALA A 64 3.650 -0.726 1.947 1.00 0.00 O ATOM 967 CB ALA A 64 0.349 -1.004 2.809 1.00 0.00 C ATOM 0 H ALA A 64 0.311 1.393 3.455 1.00 0.00 H new ATOM 0 HA ALA A 64 2.128 -0.699 3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.626 -2.012 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.256 -1.055 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.225 -0.526 2.015 1.00 0.00 H new ATOM 973 N ILE A 65 2.191 0.558 0.815 1.00 0.00 N ATOM 974 CA ILE A 65 2.977 0.619 -0.425 1.00 0.00 C ATOM 975 C ILE A 65 3.807 1.908 -0.536 1.00 0.00 C ATOM 976 O ILE A 65 4.770 1.952 -1.301 1.00 0.00 O ATOM 977 CB ILE A 65 2.058 0.411 -1.647 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.978 1.509 -1.776 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.417 -0.987 -1.567 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.181 1.436 -3.080 1.00 0.00 C ATOM 0 H ILE A 65 1.330 1.104 0.782 1.00 0.00 H new ATOM 0 HA ILE A 65 3.702 -0.194 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 65 2.671 0.485 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.290 1.430 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.456 2.486 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.767 -1.139 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.199 -1.746 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.831 -1.067 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.558 2.237 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.858 1.546 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.326 0.473 -3.143 1.00 0.00 H new ATOM 992 N GLY A 66 3.470 2.938 0.239 1.00 0.00 N ATOM 993 CA GLY A 66 4.103 4.250 0.238 1.00 0.00 C ATOM 994 C GLY A 66 3.555 5.191 -0.834 1.00 0.00 C ATOM 995 O GLY A 66 4.237 6.160 -1.178 1.00 0.00 O ATOM 0 H GLY A 66 2.710 2.874 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.969 4.710 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.176 4.127 0.088 1.00 0.00 H new ATOM 999 N LEU A 67 2.347 4.944 -1.350 1.00 0.00 N ATOM 1000 CA LEU A 67 1.678 5.766 -2.359 1.00 0.00 C ATOM 1001 C LEU A 67 0.299 6.166 -1.837 1.00 0.00 C ATOM 1002 O LEU A 67 -0.205 5.548 -0.906 1.00 0.00 O ATOM 1003 CB LEU A 67 1.561 5.034 -3.713 1.00 0.00 C ATOM 1004 CG LEU A 67 2.855 4.448 -4.321 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.524 3.708 -5.624 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.925 5.506 -4.626 1.00 0.00 C ATOM 0 H LEU A 67 1.790 4.138 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 67 2.279 6.658 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.846 4.220 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.135 5.730 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 67 3.265 3.774 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.438 3.296 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.824 2.899 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.074 4.403 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.805 5.022 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.529 6.229 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.202 6.019 -3.705 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.316 7.196 -2.416 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.653 7.674 -2.082 1.00 0.00 C ATOM 1020 C LYS A 68 -2.684 6.679 -2.596 1.00 0.00 C ATOM 1021 O LYS A 68 -2.545 6.197 -3.721 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.881 9.060 -2.711 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.182 10.159 -1.897 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.455 11.559 -2.463 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.758 12.656 -1.641 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.403 12.928 -0.338 1.00 0.00 N ATOM 0 H LYS A 68 0.122 7.740 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.754 7.764 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.504 9.065 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.950 9.267 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.521 10.114 -0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.108 9.975 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.111 11.606 -3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.529 11.742 -2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.278 12.365 -1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.738 13.576 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.880 13.677 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.384 13.236 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.400 12.062 0.238 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.733 6.423 -1.809 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.859 5.537 -2.126 1.00 0.00 C ATOM 1042 C LEU A 69 -6.180 6.307 -2.118 1.00 0.00 C ATOM 1043 O LEU A 69 -7.219 5.709 -2.392 1.00 0.00 O ATOM 1044 CB LEU A 69 -4.950 4.347 -1.152 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.997 3.177 -1.422 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.430 2.349 -2.622 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.535 3.525 -1.651 1.00 0.00 C ATOM 0 H LEU A 69 -3.825 6.849 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.677 5.145 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.763 4.715 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.972 3.968 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.065 2.627 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.725 1.532 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.425 1.941 -2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.452 2.980 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.967 2.612 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.449 4.182 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.139 4.031 -0.770 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.181 7.608 -1.816 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.341 8.485 -1.969 1.00 0.00 C ATOM 1061 C ARG A 70 -6.943 9.672 -2.825 1.00 0.00 C ATOM 1062 O ARG A 70 -5.782 10.092 -2.773 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.826 9.016 -0.614 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.364 7.951 0.349 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.842 8.195 0.641 1.00 0.00 C ATOM 1066 NE ARG A 70 -10.079 9.449 1.378 1.00 0.00 N ATOM 1067 CZ ARG A 70 -11.240 9.795 1.938 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -12.288 8.991 1.848 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -11.354 10.937 2.601 1.00 0.00 N ATOM 0 H ARG A 70 -5.359 8.089 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.145 7.910 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.001 9.537 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.609 9.753 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.231 6.960 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.795 7.971 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.394 8.221 -0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.236 7.359 1.219 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.299 10.100 1.467 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.209 8.104 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.174 9.258 2.277 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.551 11.560 2.686 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.245 11.193 3.026 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.938 10.268 -3.475 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.787 11.401 -4.362 1.00 0.00 C ATOM 1085 C GLY A 71 -7.167 10.968 -5.681 1.00 0.00 C ATOM 1086 O GLY A 71 -6.503 9.940 -5.762 1.00 0.00 O ATOM 0 H GLY A 71 -8.906 9.958 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.759 11.860 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.161 12.158 -3.890 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.328 11.766 -6.736 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.838 11.405 -8.068 1.00 0.00 C ATOM 1092 C LYS A 72 -5.313 11.510 -8.170 1.00 0.00 C ATOM 1093 O LYS A 72 -4.744 11.082 -9.174 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.543 12.233 -9.150 1.00 0.00 C ATOM 1095 CG LYS A 72 -9.076 12.088 -9.103 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.838 13.024 -10.049 1.00 0.00 C ATOM 1097 CE LYS A 72 -9.918 12.526 -11.495 1.00 0.00 C ATOM 1098 NZ LYS A 72 -8.623 12.545 -12.201 1.00 0.00 N ATOM 0 H LYS A 72 -7.796 12.671 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.085 10.357 -8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.277 13.283 -9.029 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.183 11.924 -10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.337 11.058 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.413 12.271 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.850 13.163 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.357 14.002 -10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.309 11.508 -11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.630 13.143 -12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.785 12.683 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.039 13.323 -11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.131 11.641 -12.048 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.626 11.981 -7.121 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.185 11.775 -6.958 1.00 0.00 C ATOM 1114 C ASP A 73 -2.889 10.321 -6.568 1.00 0.00 C ATOM 1115 O ASP A 73 -1.773 10.037 -6.141 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.561 12.736 -5.922 1.00 0.00 C ATOM 1117 CG ASP A 73 -2.363 14.164 -6.402 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -2.397 14.442 -7.619 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -2.112 15.053 -5.559 1.00 0.00 O ATOM 0 H ASP A 73 -5.054 12.514 -6.364 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.726 11.994 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.196 12.752 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.595 12.336 -5.614 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.845 9.389 -6.663 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.623 7.984 -6.386 1.00 0.00 C ATOM 1126 C ILE A 74 -2.366 7.519 -7.127 1.00 0.00 C ATOM 1127 O ILE A 74 -2.154 7.856 -8.303 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.898 7.166 -6.709 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.014 6.006 -5.713 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.084 6.847 -8.202 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.250 5.128 -5.901 1.00 0.00 C ATOM 0 H ILE A 74 -4.803 9.603 -6.939 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.436 7.819 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.783 7.782 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.125 5.382 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.023 6.412 -4.702 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.000 6.272 -8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.150 7.777 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.234 6.266 -8.558 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.249 4.334 -5.154 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.148 5.735 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.235 4.688 -6.898 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.508 6.787 -6.423 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.273 6.285 -6.993 1.00 0.00 C ATOM 1145 C GLY A 75 0.863 7.321 -7.045 1.00 0.00 C ATOM 1146 O GLY A 75 1.994 6.958 -7.388 1.00 0.00 O ATOM 0 H GLY A 75 -1.653 6.529 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.060 5.426 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.471 5.928 -8.004 1.00 0.00 H new ATOM 1150 N LYS A 76 0.632 8.586 -6.675 1.00 0.00 N ATOM 1151 CA LYS A 76 1.697 9.492 -6.273 1.00 0.00 C ATOM 1152 C LYS A 76 2.168 9.035 -4.892 1.00 0.00 C ATOM 1153 O LYS A 76 1.373 8.495 -4.129 1.00 0.00 O ATOM 1154 CB LYS A 76 1.195 10.937 -6.164 1.00 0.00 C ATOM 1155 CG LYS A 76 0.770 11.551 -7.509 1.00 0.00 C ATOM 1156 CD LYS A 76 1.917 12.348 -8.123 1.00 0.00 C ATOM 1157 CE LYS A 76 1.472 12.993 -9.438 1.00 0.00 C ATOM 1158 NZ LYS A 76 2.569 13.723 -10.103 1.00 0.00 N ATOM 0 H LYS A 76 -0.298 9.003 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 76 2.495 9.470 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.348 10.967 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.981 11.553 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.462 10.761 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.093 12.200 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.248 13.118 -7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.769 11.693 -8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.093 12.222 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.648 13.679 -9.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.220 14.142 -10.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.915 14.477 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.346 13.065 -10.314 1.00 0.00 H new ATOM 1172 N PRO A 77 3.429 9.265 -4.535 1.00 0.00 N ATOM 1173 CA PRO A 77 3.986 8.854 -3.261 1.00 0.00 C ATOM 1174 C PRO A 77 3.453 9.712 -2.114 1.00 0.00 C ATOM 1175 O PRO A 77 3.003 10.845 -2.332 1.00 0.00 O ATOM 1176 CB PRO A 77 5.501 8.920 -3.439 1.00 0.00 C ATOM 1177 CG PRO A 77 5.708 9.872 -4.615 1.00 0.00 C ATOM 1178 CD PRO A 77 4.407 9.852 -5.405 1.00 0.00 C ATOM 0 HA PRO A 77 3.691 7.843 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.991 9.290 -2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.919 7.935 -3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.937 10.879 -4.266 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.546 9.551 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.113 10.859 -5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.515 9.271 -6.321 1.00 0.00 H new ATOM 1186 N ILE A 78 3.571 9.194 -0.890 1.00 0.00 N ATOM 1187 CA ILE A 78 3.246 9.919 0.333 1.00 0.00 C ATOM 1188 C ILE A 78 4.554 10.400 0.941 1.00 0.00 C ATOM 1189 O ILE A 78 5.533 9.648 0.957 1.00 0.00 O ATOM 1190 CB ILE A 78 2.432 9.061 1.335 1.00 0.00 C ATOM 1191 CG1 ILE A 78 3.166 7.796 1.822 1.00 0.00 C ATOM 1192 CG2 ILE A 78 1.087 8.685 0.701 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.396 6.975 2.861 1.00 0.00 C ATOM 0 H ILE A 78 3.901 8.244 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 78 2.603 10.766 0.094 1.00 0.00 H new ATOM 0 HB ILE A 78 2.283 9.673 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.380 7.161 0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.126 8.089 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.510 8.081 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.532 9.592 0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.262 8.114 -0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.986 6.104 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.205 7.589 3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.448 6.647 2.435 1.00 0.00 H new ATOM 1205 N GLU A 79 4.572 11.640 1.444 1.00 0.00 N ATOM 1206 CA GLU A 79 5.648 12.238 2.242 1.00 0.00 C ATOM 1207 C GLU A 79 7.054 12.067 1.635 1.00 0.00 C ATOM 1208 O GLU A 79 8.056 12.163 2.344 1.00 0.00 O ATOM 1209 CB GLU A 79 5.519 11.829 3.727 1.00 0.00 C ATOM 1210 CG GLU A 79 5.396 10.319 4.010 1.00 0.00 C ATOM 1211 CD GLU A 79 5.353 9.964 5.496 1.00 0.00 C ATOM 1212 OE1 GLU A 79 4.790 10.723 6.315 1.00 0.00 O ATOM 1213 OE2 GLU A 79 5.837 8.871 5.872 1.00 0.00 O ATOM 0 H GLU A 79 3.796 12.286 1.298 1.00 0.00 H new ATOM 0 HA GLU A 79 5.516 13.320 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.389 12.208 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.645 12.328 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.492 9.943 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.239 9.804 3.549 1.00 0.00 H new ATOM 1220 N LYS A 80 7.119 11.859 0.315 1.00 0.00 N ATOM 1221 CA LYS A 80 8.234 11.439 -0.536 1.00 0.00 C ATOM 1222 C LYS A 80 9.630 11.711 0.034 1.00 0.00 C ATOM 1223 O LYS A 80 10.258 12.731 -0.270 1.00 0.00 O ATOM 1224 CB LYS A 80 7.994 11.961 -1.963 1.00 0.00 C ATOM 1225 CG LYS A 80 7.777 13.482 -2.098 1.00 0.00 C ATOM 1226 CD LYS A 80 6.934 13.788 -3.343 1.00 0.00 C ATOM 1227 CE LYS A 80 6.847 15.292 -3.631 1.00 0.00 C ATOM 1228 NZ LYS A 80 8.066 15.798 -4.289 1.00 0.00 N ATOM 0 H LYS A 80 6.283 12.000 -0.252 1.00 0.00 H new ATOM 0 HA LYS A 80 8.243 10.350 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.847 11.679 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.122 11.452 -2.373 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.278 13.866 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.739 13.989 -2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.365 13.279 -4.205 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.929 13.388 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.983 15.491 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.688 15.832 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.967 16.818 -4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.887 15.632 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.205 15.302 -5.192 1.00 0.00 H new ATOM 1242 N GLY A 81 10.115 10.779 0.851 1.00 0.00 N ATOM 1243 CA GLY A 81 11.358 10.866 1.602 1.00 0.00 C ATOM 1244 C GLY A 81 12.566 10.410 0.775 1.00 0.00 C ATOM 1245 O GLY A 81 12.470 10.337 -0.459 1.00 0.00 O ATOM 0 H GLY A 81 9.624 9.900 1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.511 11.894 1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.282 10.253 2.500 1.00 0.00 H new ATOM 1249 N PRO A 82 13.715 10.135 1.419 1.00 0.00 N ATOM 1250 CA PRO A 82 14.923 9.617 0.784 1.00 0.00 C ATOM 1251 C PRO A 82 14.671 8.241 0.155 1.00 0.00 C ATOM 1252 O PRO A 82 14.759 7.205 0.820 1.00 0.00 O ATOM 1253 CB PRO A 82 15.993 9.580 1.886 1.00 0.00 C ATOM 1254 CG PRO A 82 15.178 9.465 3.170 1.00 0.00 C ATOM 1255 CD PRO A 82 13.940 10.297 2.847 1.00 0.00 C ATOM 0 HA PRO A 82 15.252 10.247 -0.042 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.668 8.733 1.762 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.607 10.481 1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.924 8.430 3.399 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.719 9.858 4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.078 9.954 3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.096 11.345 3.102 1.00 0.00 H new ATOM 1263 N ARG A 83 14.362 8.228 -1.140 1.00 0.00 N ATOM 1264 CA ARG A 83 14.269 7.042 -1.976 1.00 0.00 C ATOM 1265 C ARG A 83 14.866 7.430 -3.316 1.00 0.00 C ATOM 1266 O ARG A 83 14.336 8.348 -3.945 1.00 0.00 O ATOM 1267 CB ARG A 83 12.806 6.603 -2.131 1.00 0.00 C ATOM 1268 CG ARG A 83 12.677 5.360 -3.027 1.00 0.00 C ATOM 1269 CD ARG A 83 11.217 5.176 -3.436 1.00 0.00 C ATOM 1270 NE ARG A 83 11.040 3.985 -4.280 1.00 0.00 N ATOM 1271 CZ ARG A 83 11.136 3.908 -5.612 1.00 0.00 C ATOM 1272 NH1 ARG A 83 11.383 4.997 -6.336 1.00 0.00 N ATOM 1273 NH2 ARG A 83 10.986 2.731 -6.215 1.00 0.00 N ATOM 0 H ARG A 83 14.161 9.085 -1.655 1.00 0.00 H new ATOM 0 HA ARG A 83 14.801 6.198 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 83 12.384 6.389 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 83 12.224 7.420 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.303 5.471 -3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.031 4.477 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.597 5.087 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.875 6.059 -3.975 1.00 0.00 H new ATOM 0 HE ARG A 83 10.818 3.117 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.501 5.900 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.455 4.929 -7.351 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.799 1.895 -5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.058 2.665 -7.230 1.00 0.00 H new ATOM 1287 N ALA A 84 15.912 6.730 -3.753 1.00 0.00 N ATOM 1288 CA ALA A 84 16.694 6.985 -4.955 1.00 0.00 C ATOM 1289 C ALA A 84 16.943 8.482 -5.146 1.00 0.00 C ATOM 1290 O ALA A 84 16.271 9.149 -5.938 1.00 0.00 O ATOM 1291 CB ALA A 84 16.034 6.307 -6.156 1.00 0.00 C ATOM 0 H ALA A 84 16.255 5.917 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 84 17.685 6.542 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.623 6.501 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.980 5.232 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.028 6.704 -6.290 1.00 0.00 H new ATOM 1297 N LYS A 85 17.865 9.021 -4.346 1.00 0.00 N ATOM 1298 CA LYS A 85 18.141 10.453 -4.293 1.00 0.00 C ATOM 1299 C LYS A 85 19.580 10.717 -3.879 1.00 0.00 C ATOM 1300 O LYS A 85 20.230 11.546 -4.511 1.00 0.00 O ATOM 1301 CB LYS A 85 17.160 11.122 -3.318 1.00 0.00 C ATOM 1302 CG LYS A 85 17.172 12.654 -3.437 1.00 0.00 C ATOM 1303 CD LYS A 85 16.219 13.242 -2.391 1.00 0.00 C ATOM 1304 CE LYS A 85 15.826 14.692 -2.682 1.00 0.00 C ATOM 1305 NZ LYS A 85 16.931 15.653 -2.519 1.00 0.00 N ATOM 0 H LYS A 85 18.444 8.469 -3.713 1.00 0.00 H new ATOM 0 HA LYS A 85 18.005 10.878 -5.287 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.152 10.753 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.415 10.837 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.181 13.036 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.865 12.956 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.318 12.630 -2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.690 13.190 -1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.447 14.758 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 85 15.009 14.977 -2.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 16.591 16.612 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.279 15.619 -1.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.704 15.407 -3.170 1.00 0.00 H new ATOM 1319 N SER A 86 20.056 10.043 -2.826 1.00 0.00 N ATOM 1320 CA SER A 86 21.346 10.298 -2.196 1.00 0.00 C ATOM 1321 C SER A 86 21.556 11.795 -1.927 1.00 0.00 C ATOM 1322 O SER A 86 22.334 12.462 -2.606 1.00 0.00 O ATOM 1323 CB SER A 86 22.452 9.628 -3.018 1.00 0.00 C ATOM 1324 OG SER A 86 22.258 8.221 -3.000 1.00 0.00 O ATOM 0 H SER A 86 19.537 9.286 -2.381 1.00 0.00 H new ATOM 0 HA SER A 86 21.379 9.845 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.434 9.997 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.430 9.878 -2.607 1.00 0.00 H new ATOM 0 HG SER A 86 22.962 7.787 -3.526 1.00 0.00 H new ATOM 1330 N GLY A 87 20.831 12.319 -0.934 1.00 0.00 N ATOM 1331 CA GLY A 87 20.966 13.676 -0.409 1.00 0.00 C ATOM 1332 C GLY A 87 22.314 13.905 0.296 1.00 0.00 C ATOM 1333 O GLY A 87 23.242 13.121 0.100 1.00 0.00 O ATOM 0 H GLY A 87 20.105 11.785 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.861 14.390 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.155 13.873 0.292 1.00 0.00 H new ATOM 1337 N PRO A 88 22.458 14.967 1.113 1.00 0.00 N ATOM 1338 CA PRO A 88 23.756 15.404 1.636 1.00 0.00 C ATOM 1339 C PRO A 88 24.471 14.361 2.507 1.00 0.00 C ATOM 1340 O PRO A 88 25.687 14.430 2.650 1.00 0.00 O ATOM 1341 CB PRO A 88 23.494 16.716 2.383 1.00 0.00 C ATOM 1342 CG PRO A 88 22.001 16.674 2.703 1.00 0.00 C ATOM 1343 CD PRO A 88 21.412 15.885 1.535 1.00 0.00 C ATOM 0 HA PRO A 88 24.454 15.547 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 88 24.094 16.784 3.290 1.00 0.00 H new ATOM 0 HB3 PRO A 88 23.745 17.581 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 88 21.808 16.184 3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.575 17.675 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 88 20.516 15.344 1.840 1.00 0.00 H new ATOM 0 HD3 PRO A 88 21.122 16.549 0.721 1.00 0.00 H new ATOM 1351 N SER A 89 23.759 13.364 3.036 1.00 0.00 N ATOM 1352 CA SER A 89 24.355 12.085 3.388 1.00 0.00 C ATOM 1353 C SER A 89 23.406 10.988 2.913 1.00 0.00 C ATOM 1354 O SER A 89 23.690 10.317 1.920 1.00 0.00 O ATOM 1355 CB SER A 89 24.700 12.047 4.882 1.00 0.00 C ATOM 1356 OG SER A 89 23.595 12.430 5.680 1.00 0.00 O ATOM 0 H SER A 89 22.759 13.425 3.229 1.00 0.00 H new ATOM 0 HA SER A 89 25.311 11.924 2.889 1.00 0.00 H new ATOM 0 HB2 SER A 89 25.018 11.041 5.158 1.00 0.00 H new ATOM 0 HB3 SER A 89 25.541 12.712 5.079 1.00 0.00 H new ATOM 0 HG SER A 89 23.847 12.394 6.626 1.00 0.00 H new ATOM 1362 N SER A 90 22.245 10.858 3.558 1.00 0.00 N ATOM 1363 CA SER A 90 21.175 9.984 3.118 1.00 0.00 C ATOM 1364 C SER A 90 19.849 10.522 3.657 1.00 0.00 C ATOM 1365 O SER A 90 19.015 10.984 2.872 1.00 0.00 O ATOM 1366 CB SER A 90 21.475 8.542 3.556 1.00 0.00 C ATOM 1367 OG SER A 90 20.555 7.630 2.986 1.00 0.00 O ATOM 0 H SER A 90 22.026 11.369 4.413 1.00 0.00 H new ATOM 0 HA SER A 90 21.099 9.965 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 90 22.489 8.273 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 90 21.432 8.473 4.643 1.00 0.00 H new ATOM 0 HG SER A 90 20.771 6.721 3.280 1.00 0.00 H new ATOM 1373 N GLY A 91 19.649 10.478 4.974 1.00 0.00 N ATOM 1374 CA GLY A 91 18.401 10.809 5.634 1.00 0.00 C ATOM 1375 C GLY A 91 18.314 10.060 6.943 1.00 0.00 C ATOM 1376 O GLY A 91 17.207 10.009 7.512 1.00 0.00 O ATOM 0 H GLY A 91 20.381 10.200 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.344 11.883 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 91 17.558 10.547 4.995 1.00 0.00 H new TER 1380 GLY A 91