USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 794 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 15 THR OG1 : rot -96:sc= 0.863 USER MOD Set 1.2: A 35 GLN : amide:sc= -1.08 K(o=-1.5,f=-2.6) USER MOD Set 1.3: A 37 ASN :FLIP amide:sc= -1.3 F(o=-2.5,f=-1.5) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0237) USER MOD Set 2.2: A 102 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.75) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.736! 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.135 K(o=-0.14,f=-1!) USER MOD Single : A 22 THR OG1 : rot 16:sc= 0.702! USER MOD Single : A 27 ASN : amide:sc= -0.544 K(o=-0.54,f=-2.4) USER MOD Single : A 28 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.0082) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS :FLIP no HE2:sc= 0.0493 F(o=-0.48,f=0.049) USER MOD Single : A 49 THR OG1 : rot -71:sc= 1.18 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -78:sc= 0.62 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=-0.27) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.215 K(o=0.22,f=-1.1) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.279 F(o=-1.8,f=-0.28) USER MOD Single : A 79 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-2) USER MOD Single : A 80 SER OG : rot 100:sc= -1.3 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.29 K(o=-2.3,f=-3.1!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -150:sc= -0.928 USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0156) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.459 2.924 -9.560 1.00 0.00 N ATOM 2 CA GLY A 1 -29.659 4.043 -9.097 1.00 0.00 C ATOM 3 C GLY A 1 -29.771 4.256 -7.601 1.00 0.00 C ATOM 4 O GLY A 1 -28.762 4.320 -6.898 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.348 2.820 -10.589 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.143 2.053 -9.088 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.460 3.096 -9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.615 3.872 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.974 4.949 -9.614 1.00 0.00 H new ATOM 8 N SER A 2 -31.002 4.368 -7.111 1.00 0.00 N ATOM 9 CA SER A 2 -31.242 4.582 -5.689 1.00 0.00 C ATOM 10 C SER A 2 -31.184 3.263 -4.924 1.00 0.00 C ATOM 11 O SER A 2 -31.894 2.312 -5.250 1.00 0.00 O ATOM 12 CB SER A 2 -32.602 5.249 -5.474 1.00 0.00 C ATOM 13 OG SER A 2 -33.658 4.320 -5.644 1.00 0.00 O ATOM 0 H SER A 2 -31.848 4.314 -7.678 1.00 0.00 H new ATOM 0 HA SER A 2 -30.459 5.238 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.647 5.676 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.722 6.073 -6.177 1.00 0.00 H new ATOM 0 HG SER A 2 -33.294 3.410 -5.664 1.00 0.00 H new ATOM 19 N SER A 3 -30.332 3.214 -3.905 1.00 0.00 N ATOM 20 CA SER A 3 -30.177 2.011 -3.096 1.00 0.00 C ATOM 21 C SER A 3 -29.812 2.367 -1.658 1.00 0.00 C ATOM 22 O SER A 3 -29.376 3.482 -1.374 1.00 0.00 O ATOM 23 CB SER A 3 -29.103 1.101 -3.696 1.00 0.00 C ATOM 24 OG SER A 3 -27.803 1.572 -3.383 1.00 0.00 O ATOM 0 H SER A 3 -29.739 3.993 -3.620 1.00 0.00 H new ATOM 0 HA SER A 3 -31.130 1.482 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.227 0.087 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.225 1.053 -4.778 1.00 0.00 H new ATOM 0 HG SER A 3 -27.135 0.973 -3.776 1.00 0.00 H new ATOM 30 N GLY A 4 -29.996 1.410 -0.753 1.00 0.00 N ATOM 31 CA GLY A 4 -29.682 1.641 0.645 1.00 0.00 C ATOM 32 C GLY A 4 -28.597 0.714 1.157 1.00 0.00 C ATOM 33 O GLY A 4 -27.457 0.766 0.695 1.00 0.00 O ATOM 0 H GLY A 4 -30.357 0.479 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -29.364 2.675 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.583 1.506 1.244 1.00 0.00 H new ATOM 37 N SER A 5 -28.952 -0.137 2.115 1.00 0.00 N ATOM 38 CA SER A 5 -27.999 -1.076 2.694 1.00 0.00 C ATOM 39 C SER A 5 -27.216 -1.799 1.602 1.00 0.00 C ATOM 40 O SER A 5 -27.706 -2.755 1.000 1.00 0.00 O ATOM 41 CB SER A 5 -28.725 -2.094 3.575 1.00 0.00 C ATOM 42 OG SER A 5 -29.121 -1.513 4.805 1.00 0.00 O ATOM 0 H SER A 5 -29.892 -0.195 2.506 1.00 0.00 H new ATOM 0 HA SER A 5 -27.297 -0.511 3.307 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.601 -2.474 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.072 -2.946 3.765 1.00 0.00 H new ATOM 0 HG SER A 5 -29.584 -2.183 5.349 1.00 0.00 H new ATOM 48 N SER A 6 -25.996 -1.335 1.351 1.00 0.00 N ATOM 49 CA SER A 6 -25.146 -1.934 0.328 1.00 0.00 C ATOM 50 C SER A 6 -24.438 -3.173 0.868 1.00 0.00 C ATOM 51 O SER A 6 -23.251 -3.381 0.621 1.00 0.00 O ATOM 52 CB SER A 6 -24.114 -0.918 -0.165 1.00 0.00 C ATOM 53 OG SER A 6 -24.621 -0.163 -1.252 1.00 0.00 O ATOM 0 H SER A 6 -25.574 -0.547 1.842 1.00 0.00 H new ATOM 0 HA SER A 6 -25.779 -2.233 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.840 -0.249 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.205 -1.437 -0.471 1.00 0.00 H new ATOM 0 HG SER A 6 -23.943 0.480 -1.548 1.00 0.00 H new ATOM 59 N GLY A 7 -25.178 -3.995 1.607 1.00 0.00 N ATOM 60 CA GLY A 7 -24.606 -5.203 2.170 1.00 0.00 C ATOM 61 C GLY A 7 -23.454 -4.915 3.113 1.00 0.00 C ATOM 62 O GLY A 7 -23.319 -3.800 3.615 1.00 0.00 O ATOM 0 H GLY A 7 -26.163 -3.845 1.825 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.380 -5.753 2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.258 -5.847 1.362 1.00 0.00 H new ATOM 66 N SER A 8 -22.623 -5.924 3.355 1.00 0.00 N ATOM 67 CA SER A 8 -21.480 -5.775 4.248 1.00 0.00 C ATOM 68 C SER A 8 -20.307 -5.121 3.525 1.00 0.00 C ATOM 69 O SER A 8 -20.203 -5.188 2.300 1.00 0.00 O ATOM 70 CB SER A 8 -21.057 -7.137 4.801 1.00 0.00 C ATOM 71 OG SER A 8 -22.135 -7.775 5.464 1.00 0.00 O ATOM 0 H SER A 8 -22.720 -6.853 2.945 1.00 0.00 H new ATOM 0 HA SER A 8 -21.779 -5.131 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.701 -7.769 3.987 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.225 -7.010 5.493 1.00 0.00 H new ATOM 0 HG SER A 8 -21.840 -8.644 5.807 1.00 0.00 H new ATOM 77 N ASP A 9 -19.426 -4.488 4.291 1.00 0.00 N ATOM 78 CA ASP A 9 -18.258 -3.822 3.725 1.00 0.00 C ATOM 79 C ASP A 9 -17.323 -4.831 3.066 1.00 0.00 C ATOM 80 O ASP A 9 -16.574 -5.534 3.745 1.00 0.00 O ATOM 81 CB ASP A 9 -17.510 -3.048 4.811 1.00 0.00 C ATOM 82 CG ASP A 9 -18.192 -1.742 5.166 1.00 0.00 C ATOM 83 OD1 ASP A 9 -19.440 -1.694 5.125 1.00 0.00 O ATOM 84 OD2 ASP A 9 -17.480 -0.768 5.486 1.00 0.00 O ATOM 0 H ASP A 9 -19.498 -4.422 5.306 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.603 -3.123 2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.430 -3.667 5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.494 -2.844 4.473 1.00 0.00 H new ATOM 89 N ASP A 10 -17.374 -4.899 1.740 1.00 0.00 N ATOM 90 CA ASP A 10 -16.531 -5.822 0.989 1.00 0.00 C ATOM 91 C ASP A 10 -15.060 -5.440 1.115 1.00 0.00 C ATOM 92 O ASP A 10 -14.179 -6.297 1.056 1.00 0.00 O ATOM 93 CB ASP A 10 -16.943 -5.838 -0.484 1.00 0.00 C ATOM 94 CG ASP A 10 -18.447 -5.785 -0.665 1.00 0.00 C ATOM 95 OD1 ASP A 10 -19.037 -4.711 -0.421 1.00 0.00 O ATOM 96 OD2 ASP A 10 -19.034 -6.816 -1.053 1.00 0.00 O ATOM 0 H ASP A 10 -17.990 -4.326 1.163 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.665 -6.820 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.488 -4.989 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.555 -6.740 -0.957 1.00 0.00 H new ATOM 101 N ALA A 11 -14.802 -4.148 1.288 1.00 0.00 N ATOM 102 CA ALA A 11 -13.438 -3.652 1.422 1.00 0.00 C ATOM 103 C ALA A 11 -12.697 -4.381 2.538 1.00 0.00 C ATOM 104 O ALA A 11 -11.468 -4.460 2.532 1.00 0.00 O ATOM 105 CB ALA A 11 -13.444 -2.153 1.682 1.00 0.00 C ATOM 0 H ALA A 11 -15.520 -3.425 1.339 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.914 -3.845 0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.419 -1.797 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.928 -1.641 0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.990 -1.946 2.603 1.00 0.00 H new ATOM 111 N ARG A 12 -13.451 -4.912 3.495 1.00 0.00 N ATOM 112 CA ARG A 12 -12.865 -5.633 4.618 1.00 0.00 C ATOM 113 C ARG A 12 -12.118 -6.874 4.138 1.00 0.00 C ATOM 114 O ARG A 12 -11.315 -7.450 4.872 1.00 0.00 O ATOM 115 CB ARG A 12 -13.952 -6.035 5.617 1.00 0.00 C ATOM 116 CG ARG A 12 -14.737 -7.268 5.200 1.00 0.00 C ATOM 117 CD ARG A 12 -16.055 -7.370 5.951 1.00 0.00 C ATOM 118 NE ARG A 12 -15.893 -8.005 7.256 1.00 0.00 N ATOM 119 CZ ARG A 12 -16.898 -8.220 8.099 1.00 0.00 C ATOM 120 NH1 ARG A 12 -18.130 -7.853 7.774 1.00 0.00 N ATOM 121 NH2 ARG A 12 -16.671 -8.804 9.268 1.00 0.00 N ATOM 0 H ARG A 12 -14.469 -4.856 3.515 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.154 -4.970 5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -13.491 -6.219 6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.642 -5.201 5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.930 -7.232 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.140 -8.161 5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -16.475 -6.373 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.768 -7.941 5.356 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.957 -8.300 7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.308 -7.405 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.899 -8.019 8.423 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.725 -9.088 9.521 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.443 -8.969 9.914 1.00 0.00 H new ATOM 135 N ARG A 13 -12.388 -7.279 2.901 1.00 0.00 N ATOM 136 CA ARG A 13 -11.742 -8.452 2.324 1.00 0.00 C ATOM 137 C ARG A 13 -10.368 -8.095 1.764 1.00 0.00 C ATOM 138 O ARG A 13 -9.451 -8.918 1.770 1.00 0.00 O ATOM 139 CB ARG A 13 -12.615 -9.048 1.219 1.00 0.00 C ATOM 140 CG ARG A 13 -13.804 -9.838 1.741 1.00 0.00 C ATOM 141 CD ARG A 13 -14.763 -10.208 0.621 1.00 0.00 C ATOM 142 NE ARG A 13 -15.507 -11.429 0.918 1.00 0.00 N ATOM 143 CZ ARG A 13 -16.525 -11.481 1.769 1.00 0.00 C ATOM 144 NH1 ARG A 13 -16.919 -10.386 2.404 1.00 0.00 N ATOM 145 NH2 ARG A 13 -17.152 -12.630 1.987 1.00 0.00 N ATOM 0 H ARG A 13 -13.049 -6.813 2.280 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.613 -9.191 3.115 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.977 -8.243 0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.003 -9.699 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.452 -10.744 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -14.331 -9.250 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -15.462 -9.388 0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.204 -10.340 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.229 -12.289 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.440 -9.501 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.701 -10.429 3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.852 -13.475 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.934 -12.668 2.641 1.00 0.00 H new ATOM 159 N LEU A 14 -10.232 -6.865 1.281 1.00 0.00 N ATOM 160 CA LEU A 14 -8.970 -6.400 0.717 1.00 0.00 C ATOM 161 C LEU A 14 -7.829 -6.578 1.714 1.00 0.00 C ATOM 162 O LEU A 14 -8.002 -6.375 2.916 1.00 0.00 O ATOM 163 CB LEU A 14 -9.082 -4.929 0.311 1.00 0.00 C ATOM 164 CG LEU A 14 -10.295 -4.559 -0.542 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.355 -3.055 -0.760 1.00 0.00 C ATOM 166 CD2 LEU A 14 -10.254 -5.292 -1.874 1.00 0.00 C ATOM 0 H LEU A 14 -10.980 -6.172 1.269 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.753 -7.000 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.102 -4.323 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.180 -4.654 -0.237 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.196 -4.865 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.225 -2.810 -1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.433 -2.551 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.450 -2.725 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.125 -5.016 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.347 -5.018 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.261 -6.368 -1.698 1.00 0.00 H new ATOM 178 N THR A 15 -6.661 -6.959 1.207 1.00 0.00 N ATOM 179 CA THR A 15 -5.491 -7.164 2.052 1.00 0.00 C ATOM 180 C THR A 15 -4.202 -6.921 1.275 1.00 0.00 C ATOM 181 O THR A 15 -4.196 -6.932 0.044 1.00 0.00 O ATOM 182 CB THR A 15 -5.464 -8.588 2.637 1.00 0.00 C ATOM 183 OG1 THR A 15 -5.746 -9.546 1.610 1.00 0.00 O ATOM 184 CG2 THR A 15 -6.477 -8.731 3.763 1.00 0.00 C ATOM 0 H THR A 15 -6.500 -7.132 0.215 1.00 0.00 H new ATOM 0 HA THR A 15 -5.561 -6.445 2.868 1.00 0.00 H new ATOM 0 HB THR A 15 -4.468 -8.771 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.698 -9.777 1.630 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.439 -9.745 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.242 -8.022 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.477 -8.528 3.380 1.00 0.00 H new ATOM 192 N VAL A 16 -3.111 -6.702 2.001 1.00 0.00 N ATOM 193 CA VAL A 16 -1.815 -6.458 1.380 1.00 0.00 C ATOM 194 C VAL A 16 -0.694 -7.130 2.165 1.00 0.00 C ATOM 195 O VAL A 16 -0.699 -7.134 3.396 1.00 0.00 O ATOM 196 CB VAL A 16 -1.519 -4.951 1.271 1.00 0.00 C ATOM 197 CG1 VAL A 16 -0.177 -4.717 0.594 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.636 -4.242 0.520 1.00 0.00 C ATOM 0 H VAL A 16 -3.099 -6.689 3.021 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.859 -6.885 0.378 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.468 -4.535 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.014 -3.646 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.612 -5.190 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.195 -5.147 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.410 -3.178 0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.722 -4.659 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.577 -4.380 1.052 1.00 0.00 H new ATOM 208 N THR A 17 0.269 -7.697 1.444 1.00 0.00 N ATOM 209 CA THR A 17 1.397 -8.373 2.073 1.00 0.00 C ATOM 210 C THR A 17 2.721 -7.878 1.502 1.00 0.00 C ATOM 211 O THR A 17 3.568 -7.363 2.231 1.00 0.00 O ATOM 212 CB THR A 17 1.311 -9.900 1.889 1.00 0.00 C ATOM 213 OG1 THR A 17 0.104 -10.396 2.478 1.00 0.00 O ATOM 214 CG2 THR A 17 2.510 -10.589 2.521 1.00 0.00 C ATOM 0 H THR A 17 0.290 -7.701 0.424 1.00 0.00 H new ATOM 0 HA THR A 17 1.352 -8.140 3.137 1.00 0.00 H new ATOM 0 HB THR A 17 1.309 -10.116 0.821 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.055 -11.367 2.356 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.427 -11.666 2.378 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.426 -10.230 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.538 -10.365 3.587 1.00 0.00 H new ATOM 222 N SER A 18 2.893 -8.037 0.194 1.00 0.00 N ATOM 223 CA SER A 18 4.116 -7.609 -0.474 1.00 0.00 C ATOM 224 C SER A 18 4.662 -6.332 0.157 1.00 0.00 C ATOM 225 O SER A 18 5.854 -6.229 0.448 1.00 0.00 O ATOM 226 CB SER A 18 3.857 -7.384 -1.965 1.00 0.00 C ATOM 227 OG SER A 18 3.992 -8.591 -2.695 1.00 0.00 O ATOM 0 H SER A 18 2.200 -8.459 -0.424 1.00 0.00 H new ATOM 0 HA SER A 18 4.859 -8.398 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.854 -6.981 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.556 -6.642 -2.351 1.00 0.00 H new ATOM 0 HG SER A 18 3.820 -8.420 -3.644 1.00 0.00 H new ATOM 233 N LEU A 19 3.780 -5.360 0.366 1.00 0.00 N ATOM 234 CA LEU A 19 4.172 -4.088 0.963 1.00 0.00 C ATOM 235 C LEU A 19 5.115 -4.306 2.142 1.00 0.00 C ATOM 236 O LEU A 19 4.742 -4.919 3.142 1.00 0.00 O ATOM 237 CB LEU A 19 2.934 -3.316 1.424 1.00 0.00 C ATOM 238 CG LEU A 19 3.196 -2.073 2.276 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.772 -0.953 1.423 1.00 0.00 C ATOM 240 CD2 LEU A 19 1.917 -1.619 2.963 1.00 0.00 C ATOM 0 H LEU A 19 2.790 -5.429 0.131 1.00 0.00 H new ATOM 0 HA LEU A 19 4.696 -3.506 0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.369 -3.015 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.298 -3.995 1.993 1.00 0.00 H new ATOM 0 HG LEU A 19 3.926 -2.329 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.952 -0.077 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.711 -1.281 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.066 -0.697 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.122 -0.734 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.165 -1.380 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.546 -2.417 3.606 1.00 0.00 H new ATOM 252 N GLN A 20 6.338 -3.800 2.016 1.00 0.00 N ATOM 253 CA GLN A 20 7.334 -3.939 3.071 1.00 0.00 C ATOM 254 C GLN A 20 7.291 -2.747 4.021 1.00 0.00 C ATOM 255 O GLN A 20 7.909 -1.715 3.765 1.00 0.00 O ATOM 256 CB GLN A 20 8.733 -4.074 2.467 1.00 0.00 C ATOM 257 CG GLN A 20 9.695 -4.871 3.332 1.00 0.00 C ATOM 258 CD GLN A 20 10.786 -5.545 2.523 1.00 0.00 C ATOM 259 OE1 GLN A 20 10.548 -6.019 1.412 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.992 -5.592 3.078 1.00 0.00 N ATOM 0 H GLN A 20 6.662 -3.290 1.194 1.00 0.00 H new ATOM 0 HA GLN A 20 7.102 -4.841 3.638 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.654 -4.553 1.491 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.146 -3.079 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.150 -4.208 4.068 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.139 -5.627 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.145 -5.186 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.765 -6.034 2.581 1.00 0.00 H new ATOM 269 N GLU A 21 6.556 -2.898 5.119 1.00 0.00 N ATOM 270 CA GLU A 21 6.431 -1.832 6.106 1.00 0.00 C ATOM 271 C GLU A 21 7.804 -1.299 6.507 1.00 0.00 C ATOM 272 O GLU A 21 8.087 -0.109 6.365 1.00 0.00 O ATOM 273 CB GLU A 21 5.687 -2.338 7.344 1.00 0.00 C ATOM 274 CG GLU A 21 4.964 -1.242 8.109 1.00 0.00 C ATOM 275 CD GLU A 21 4.527 -1.687 9.491 1.00 0.00 C ATOM 276 OE1 GLU A 21 5.274 -2.458 10.130 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.439 -1.264 9.935 1.00 0.00 O ATOM 0 H GLU A 21 6.039 -3.747 5.347 1.00 0.00 H new ATOM 0 HA GLU A 21 5.862 -1.019 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.964 -3.095 7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.398 -2.827 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.619 -0.375 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.090 -0.923 7.541 1.00 0.00 H new ATOM 284 N THR A 22 8.654 -2.189 7.010 1.00 0.00 N ATOM 285 CA THR A 22 9.996 -1.809 7.433 1.00 0.00 C ATOM 286 C THR A 22 11.054 -2.425 6.525 1.00 0.00 C ATOM 287 O THR A 22 11.085 -3.639 6.326 1.00 0.00 O ATOM 288 CB THR A 22 10.269 -2.241 8.887 1.00 0.00 C ATOM 289 OG1 THR A 22 10.497 -3.653 8.944 1.00 0.00 O ATOM 290 CG2 THR A 22 9.102 -1.873 9.789 1.00 0.00 C ATOM 0 H THR A 22 8.437 -3.178 7.134 1.00 0.00 H new ATOM 0 HA THR A 22 10.053 -0.722 7.367 1.00 0.00 H new ATOM 0 HB THR A 22 11.158 -1.716 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.673 -3.993 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.318 -2.188 10.810 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.951 -0.794 9.766 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.199 -2.373 9.438 1.00 0.00 H new ATOM 298 N GLY A 23 11.921 -1.579 5.976 1.00 0.00 N ATOM 299 CA GLY A 23 12.969 -2.060 5.095 1.00 0.00 C ATOM 300 C GLY A 23 13.078 -1.242 3.823 1.00 0.00 C ATOM 301 O GLY A 23 14.035 -1.389 3.062 1.00 0.00 O ATOM 0 H GLY A 23 11.916 -0.570 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.923 -2.035 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.774 -3.101 4.838 1.00 0.00 H new ATOM 305 N LEU A 24 12.095 -0.379 3.591 1.00 0.00 N ATOM 306 CA LEU A 24 12.084 0.465 2.401 1.00 0.00 C ATOM 307 C LEU A 24 13.054 1.632 2.552 1.00 0.00 C ATOM 308 O LEU A 24 13.084 2.299 3.586 1.00 0.00 O ATOM 309 CB LEU A 24 10.671 0.991 2.139 1.00 0.00 C ATOM 310 CG LEU A 24 9.641 -0.046 1.690 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.331 0.630 1.317 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.177 -0.858 0.520 1.00 0.00 C ATOM 0 H LEU A 24 11.296 -0.245 4.211 1.00 0.00 H new ATOM 0 HA LEU A 24 12.403 -0.140 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.306 1.465 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.730 1.769 1.377 1.00 0.00 H new ATOM 0 HG LEU A 24 9.451 -0.725 2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.610 -0.124 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.939 1.166 2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.503 1.333 0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.431 -1.591 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.396 -0.192 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.089 -1.373 0.822 1.00 0.00 H new ATOM 324 N LYS A 25 13.845 1.875 1.512 1.00 0.00 N ATOM 325 CA LYS A 25 14.814 2.964 1.526 1.00 0.00 C ATOM 326 C LYS A 25 14.383 4.088 0.590 1.00 0.00 C ATOM 327 O LYS A 25 13.476 3.918 -0.225 1.00 0.00 O ATOM 328 CB LYS A 25 16.197 2.449 1.119 1.00 0.00 C ATOM 329 CG LYS A 25 16.633 1.211 1.882 1.00 0.00 C ATOM 330 CD LYS A 25 16.200 -0.062 1.174 1.00 0.00 C ATOM 331 CE LYS A 25 17.215 -0.489 0.125 1.00 0.00 C ATOM 332 NZ LYS A 25 18.415 -1.122 0.739 1.00 0.00 N ATOM 0 H LYS A 25 13.834 1.332 0.649 1.00 0.00 H new ATOM 0 HA LYS A 25 14.864 3.359 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.193 2.225 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.931 3.240 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.717 1.215 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.208 1.233 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.072 -0.861 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 15.231 0.095 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.749 -1.190 -0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.521 0.379 -0.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.258 -0.886 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.536 -0.769 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.291 -2.154 0.759 1.00 0.00 H new ATOM 346 N VAL A 26 15.040 5.238 0.710 1.00 0.00 N ATOM 347 CA VAL A 26 14.726 6.389 -0.128 1.00 0.00 C ATOM 348 C VAL A 26 15.249 6.195 -1.547 1.00 0.00 C ATOM 349 O VAL A 26 16.282 5.562 -1.757 1.00 0.00 O ATOM 350 CB VAL A 26 15.322 7.685 0.454 1.00 0.00 C ATOM 351 CG1 VAL A 26 16.841 7.618 0.463 1.00 0.00 C ATOM 352 CG2 VAL A 26 14.838 8.894 -0.334 1.00 0.00 C ATOM 0 H VAL A 26 15.793 5.397 1.380 1.00 0.00 H new ATOM 0 HA VAL A 26 13.640 6.476 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 26 14.981 7.790 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.244 8.542 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.164 6.775 1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.206 7.488 -0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.268 9.801 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.148 8.798 -1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.751 8.950 -0.283 1.00 0.00 H new ATOM 362 N ASN A 27 14.527 6.745 -2.517 1.00 0.00 N ATOM 363 CA ASN A 27 14.917 6.633 -3.918 1.00 0.00 C ATOM 364 C ASN A 27 14.902 5.176 -4.372 1.00 0.00 C ATOM 365 O ASN A 27 15.757 4.748 -5.146 1.00 0.00 O ATOM 366 CB ASN A 27 16.310 7.230 -4.130 1.00 0.00 C ATOM 367 CG ASN A 27 16.356 8.713 -3.821 1.00 0.00 C ATOM 368 OD1 ASN A 27 15.320 9.357 -3.654 1.00 0.00 O ATOM 369 ND2 ASN A 27 17.562 9.264 -3.743 1.00 0.00 N ATOM 0 H ASN A 27 13.669 7.273 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 27 14.195 7.189 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 27 17.027 6.707 -3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.619 7.067 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.656 10.259 -3.538 1.00 0.00 H new ATOM 0 HD22 ASN A 27 18.394 8.692 -3.888 1.00 0.00 H new ATOM 376 N GLN A 28 13.922 4.421 -3.884 1.00 0.00 N ATOM 377 CA GLN A 28 13.796 3.012 -4.240 1.00 0.00 C ATOM 378 C GLN A 28 12.372 2.688 -4.681 1.00 0.00 C ATOM 379 O GLN A 28 11.397 3.020 -4.008 1.00 0.00 O ATOM 380 CB GLN A 28 14.189 2.128 -3.055 1.00 0.00 C ATOM 381 CG GLN A 28 15.691 2.032 -2.840 1.00 0.00 C ATOM 382 CD GLN A 28 16.364 1.101 -3.829 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.439 -0.108 -3.609 1.00 0.00 O ATOM 384 NE2 GLN A 28 16.857 1.661 -4.928 1.00 0.00 N ATOM 0 H GLN A 28 13.205 4.761 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 28 14.470 2.811 -5.073 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.725 2.520 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.788 1.127 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.131 3.026 -2.925 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.887 1.683 -1.826 1.00 0.00 H new ATOM 0 HE21 GLN A 28 16.772 2.668 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 28 17.320 1.084 -5.630 1.00 0.00 H new ATOM 393 N PRO A 29 12.248 2.024 -5.840 1.00 0.00 N ATOM 394 CA PRO A 29 10.947 1.641 -6.397 1.00 0.00 C ATOM 395 C PRO A 29 10.269 0.544 -5.583 1.00 0.00 C ATOM 396 O PRO A 29 10.568 -0.638 -5.746 1.00 0.00 O ATOM 397 CB PRO A 29 11.298 1.129 -7.796 1.00 0.00 C ATOM 398 CG PRO A 29 12.714 0.679 -7.691 1.00 0.00 C ATOM 399 CD PRO A 29 13.368 1.597 -6.696 1.00 0.00 C ATOM 0 HA PRO A 29 10.242 2.472 -6.397 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.643 0.310 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.187 1.914 -8.544 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.770 -0.358 -7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.213 0.733 -8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.140 1.084 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.846 2.445 -7.186 1.00 0.00 H new ATOM 407 N ALA A 30 9.353 0.945 -4.707 1.00 0.00 N ATOM 408 CA ALA A 30 8.631 -0.005 -3.870 1.00 0.00 C ATOM 409 C ALA A 30 7.238 -0.279 -4.427 1.00 0.00 C ATOM 410 O ALA A 30 6.426 0.634 -4.571 1.00 0.00 O ATOM 411 CB ALA A 30 8.537 0.515 -2.443 1.00 0.00 C ATOM 0 H ALA A 30 9.094 1.920 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 30 9.185 -0.944 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.995 -0.204 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.540 0.654 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.008 1.468 -2.437 1.00 0.00 H new ATOM 417 N SER A 31 6.969 -1.543 -4.740 1.00 0.00 N ATOM 418 CA SER A 31 5.676 -1.937 -5.286 1.00 0.00 C ATOM 419 C SER A 31 5.156 -3.196 -4.599 1.00 0.00 C ATOM 420 O SER A 31 5.933 -4.003 -4.087 1.00 0.00 O ATOM 421 CB SER A 31 5.785 -2.173 -6.793 1.00 0.00 C ATOM 422 OG SER A 31 6.788 -3.130 -7.088 1.00 0.00 O ATOM 0 H SER A 31 7.630 -2.311 -4.625 1.00 0.00 H new ATOM 0 HA SER A 31 4.971 -1.127 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.826 -2.516 -7.181 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.015 -1.234 -7.296 1.00 0.00 H new ATOM 0 HG SER A 31 6.837 -3.264 -8.058 1.00 0.00 H new ATOM 428 N PHE A 32 3.837 -3.357 -4.591 1.00 0.00 N ATOM 429 CA PHE A 32 3.212 -4.517 -3.966 1.00 0.00 C ATOM 430 C PHE A 32 1.903 -4.871 -4.664 1.00 0.00 C ATOM 431 O PHE A 32 1.488 -4.198 -5.607 1.00 0.00 O ATOM 432 CB PHE A 32 2.955 -4.247 -2.482 1.00 0.00 C ATOM 433 CG PHE A 32 2.688 -2.801 -2.173 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.721 -1.878 -2.167 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.403 -2.366 -1.890 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.477 -0.548 -1.883 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.154 -1.037 -1.605 1.00 0.00 C ATOM 438 CZ PHE A 32 2.192 -0.126 -1.603 1.00 0.00 C ATOM 0 H PHE A 32 3.180 -2.699 -5.010 1.00 0.00 H new ATOM 0 HA PHE A 32 3.894 -5.362 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.103 -4.843 -2.155 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.818 -4.580 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.728 -2.201 -2.387 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.587 -3.074 -1.892 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.291 0.162 -1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.148 -0.711 -1.384 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.999 0.914 -1.383 1.00 0.00 H new ATOM 448 N ALA A 33 1.257 -5.933 -4.194 1.00 0.00 N ATOM 449 CA ALA A 33 -0.006 -6.377 -4.771 1.00 0.00 C ATOM 450 C ALA A 33 -1.107 -6.419 -3.717 1.00 0.00 C ATOM 451 O ALA A 33 -0.927 -6.987 -2.640 1.00 0.00 O ATOM 452 CB ALA A 33 0.161 -7.744 -5.418 1.00 0.00 C ATOM 0 H ALA A 33 1.588 -6.502 -3.415 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.300 -5.659 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.790 -8.063 -5.845 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.911 -7.684 -6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.482 -8.465 -4.667 1.00 0.00 H new ATOM 458 N VAL A 34 -2.247 -5.813 -4.034 1.00 0.00 N ATOM 459 CA VAL A 34 -3.377 -5.782 -3.114 1.00 0.00 C ATOM 460 C VAL A 34 -4.423 -6.824 -3.492 1.00 0.00 C ATOM 461 O VAL A 34 -5.074 -6.715 -4.531 1.00 0.00 O ATOM 462 CB VAL A 34 -4.040 -4.392 -3.086 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.138 -4.344 -2.034 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.000 -3.311 -2.833 1.00 0.00 C ATOM 0 H VAL A 34 -2.412 -5.337 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.984 -6.009 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.495 -4.206 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.594 -3.354 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.896 -5.092 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.711 -4.551 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.486 -2.335 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.514 -3.491 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.254 -3.331 -3.627 1.00 0.00 H new ATOM 474 N GLN A 35 -4.580 -7.834 -2.642 1.00 0.00 N ATOM 475 CA GLN A 35 -5.547 -8.896 -2.889 1.00 0.00 C ATOM 476 C GLN A 35 -6.949 -8.463 -2.473 1.00 0.00 C ATOM 477 O GLN A 35 -7.144 -7.913 -1.388 1.00 0.00 O ATOM 478 CB GLN A 35 -5.147 -10.165 -2.133 1.00 0.00 C ATOM 479 CG GLN A 35 -6.058 -11.350 -2.408 1.00 0.00 C ATOM 480 CD GLN A 35 -5.500 -12.653 -1.870 1.00 0.00 C ATOM 481 OE1 GLN A 35 -5.085 -12.733 -0.713 1.00 0.00 O ATOM 482 NE2 GLN A 35 -5.486 -13.683 -2.708 1.00 0.00 N ATOM 0 H GLN A 35 -4.050 -7.939 -1.777 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.553 -9.106 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.126 -10.432 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.149 -9.956 -1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -7.034 -11.165 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.213 -11.442 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.840 -13.572 -3.658 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.121 -14.585 -2.401 1.00 0.00 H new ATOM 491 N LEU A 36 -7.922 -8.714 -3.341 1.00 0.00 N ATOM 492 CA LEU A 36 -9.308 -8.350 -3.064 1.00 0.00 C ATOM 493 C LEU A 36 -9.978 -9.394 -2.177 1.00 0.00 C ATOM 494 O LEU A 36 -10.738 -9.057 -1.270 1.00 0.00 O ATOM 495 CB LEU A 36 -10.087 -8.198 -4.371 1.00 0.00 C ATOM 496 CG LEU A 36 -9.362 -7.471 -5.505 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.054 -7.730 -6.834 1.00 0.00 C ATOM 498 CD2 LEU A 36 -9.290 -5.978 -5.220 1.00 0.00 C ATOM 0 H LEU A 36 -7.778 -9.168 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.309 -7.397 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.365 -9.192 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.013 -7.665 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.345 -7.858 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.524 -7.205 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.053 -8.800 -7.043 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.082 -7.371 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.771 -5.476 -6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.299 -5.576 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.748 -5.811 -4.289 1.00 0.00 H new ATOM 510 N ASN A 37 -9.690 -10.664 -2.444 1.00 0.00 N ATOM 511 CA ASN A 37 -10.264 -11.758 -1.669 1.00 0.00 C ATOM 512 C ASN A 37 -11.784 -11.774 -1.794 1.00 0.00 C ATOM 513 O ASN A 37 -12.495 -12.020 -0.821 1.00 0.00 O ATOM 514 CB ASN A 37 -9.863 -11.633 -0.198 1.00 0.00 C ATOM 515 CG ASN A 37 -8.396 -11.944 0.030 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.664 -10.977 0.570 1.00 0.00 O flip ATOM 517 ND2 ASN A 37 -7.928 -13.041 -0.275 1.00 0.00 N flip ATOM 0 H ASN A 37 -9.062 -10.961 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.875 -12.695 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.075 -10.622 0.149 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.472 -12.310 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.528 -13.755 -0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.940 -13.236 -0.115 1.00 0.00 H new ATOM 524 N GLY A 38 -12.276 -11.509 -3.001 1.00 0.00 N ATOM 525 CA GLY A 38 -13.709 -11.498 -3.232 1.00 0.00 C ATOM 526 C GLY A 38 -14.226 -10.123 -3.602 1.00 0.00 C ATOM 527 O GLY A 38 -15.218 -9.997 -4.320 1.00 0.00 O ATOM 0 H GLY A 38 -11.708 -11.302 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.951 -12.200 -4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.221 -11.846 -2.335 1.00 0.00 H new ATOM 531 N ALA A 39 -13.555 -9.087 -3.108 1.00 0.00 N ATOM 532 CA ALA A 39 -13.953 -7.714 -3.391 1.00 0.00 C ATOM 533 C ALA A 39 -13.899 -7.424 -4.888 1.00 0.00 C ATOM 534 O ALA A 39 -13.111 -8.025 -5.618 1.00 0.00 O ATOM 535 CB ALA A 39 -13.065 -6.740 -2.631 1.00 0.00 C ATOM 0 H ALA A 39 -12.733 -9.173 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.983 -7.585 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.374 -5.718 -2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.157 -6.923 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.028 -6.880 -2.936 1.00 0.00 H new ATOM 541 N ARG A 40 -14.743 -6.501 -5.337 1.00 0.00 N ATOM 542 CA ARG A 40 -14.793 -6.134 -6.747 1.00 0.00 C ATOM 543 C ARG A 40 -15.097 -4.647 -6.911 1.00 0.00 C ATOM 544 O ARG A 40 -16.215 -4.200 -6.657 1.00 0.00 O ATOM 545 CB ARG A 40 -15.850 -6.965 -7.476 1.00 0.00 C ATOM 546 CG ARG A 40 -15.338 -8.311 -7.961 1.00 0.00 C ATOM 547 CD ARG A 40 -14.397 -8.155 -9.146 1.00 0.00 C ATOM 548 NE ARG A 40 -13.916 -9.444 -9.636 1.00 0.00 N ATOM 549 CZ ARG A 40 -13.298 -9.603 -10.801 1.00 0.00 C ATOM 550 NH1 ARG A 40 -13.088 -8.560 -11.592 1.00 0.00 N ATOM 551 NH2 ARG A 40 -12.889 -10.808 -11.178 1.00 0.00 N ATOM 0 H ARG A 40 -15.401 -5.994 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.816 -6.338 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.697 -7.127 -6.809 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.221 -6.398 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.820 -8.819 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.181 -8.941 -8.245 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.912 -7.630 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.547 -7.538 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.063 -10.267 -9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.401 -7.632 -11.307 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.613 -8.685 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.049 -11.613 -10.573 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.415 -10.929 -12.073 1.00 0.00 H new ATOM 565 N GLY A 41 -14.094 -3.886 -7.338 1.00 0.00 N ATOM 566 CA GLY A 41 -14.274 -2.459 -7.528 1.00 0.00 C ATOM 567 C GLY A 41 -13.039 -1.789 -8.097 1.00 0.00 C ATOM 568 O GLY A 41 -12.448 -2.276 -9.061 1.00 0.00 O ATOM 0 H GLY A 41 -13.160 -4.233 -7.556 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.117 -2.288 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.527 -1.998 -6.573 1.00 0.00 H new ATOM 572 N VAL A 42 -12.648 -0.668 -7.500 1.00 0.00 N ATOM 573 CA VAL A 42 -11.475 0.071 -7.953 1.00 0.00 C ATOM 574 C VAL A 42 -10.596 0.482 -6.778 1.00 0.00 C ATOM 575 O VAL A 42 -11.072 1.086 -5.816 1.00 0.00 O ATOM 576 CB VAL A 42 -11.876 1.329 -8.746 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.640 2.089 -9.203 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.751 0.955 -9.932 1.00 0.00 C ATOM 0 H VAL A 42 -13.126 -0.251 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.913 -0.597 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.453 1.982 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.943 2.975 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.056 2.391 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.034 1.447 -9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.025 1.856 -10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.203 0.282 -10.591 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.654 0.459 -9.576 1.00 0.00 H new ATOM 588 N ILE A 43 -9.312 0.153 -6.862 1.00 0.00 N ATOM 589 CA ILE A 43 -8.366 0.490 -5.806 1.00 0.00 C ATOM 590 C ILE A 43 -7.594 1.761 -6.144 1.00 0.00 C ATOM 591 O ILE A 43 -6.942 1.845 -7.184 1.00 0.00 O ATOM 592 CB ILE A 43 -7.366 -0.655 -5.559 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.101 -1.914 -5.097 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.324 -0.236 -4.532 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.369 -1.945 -3.609 1.00 0.00 C ATOM 0 H ILE A 43 -8.902 -0.347 -7.651 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.950 0.653 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.855 -0.879 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.049 -1.988 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.512 -2.790 -5.370 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.624 -1.056 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.782 0.636 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.818 0.012 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.893 -2.866 -3.353 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.424 -1.903 -3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.984 -1.089 -3.332 1.00 0.00 H new ATOM 607 N ASP A 44 -7.672 2.747 -5.257 1.00 0.00 N ATOM 608 CA ASP A 44 -6.978 4.013 -5.459 1.00 0.00 C ATOM 609 C ASP A 44 -5.793 4.142 -4.506 1.00 0.00 C ATOM 610 O ASP A 44 -5.951 4.058 -3.289 1.00 0.00 O ATOM 611 CB ASP A 44 -7.940 5.185 -5.257 1.00 0.00 C ATOM 612 CG ASP A 44 -7.420 6.473 -5.864 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.523 7.094 -5.258 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.911 6.860 -6.946 1.00 0.00 O ATOM 0 H ASP A 44 -8.209 2.694 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.603 4.033 -6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.904 4.940 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.110 5.332 -4.190 1.00 0.00 H new ATOM 619 N ALA A 45 -4.607 4.346 -5.070 1.00 0.00 N ATOM 620 CA ALA A 45 -3.396 4.487 -4.271 1.00 0.00 C ATOM 621 C ALA A 45 -2.823 5.896 -4.387 1.00 0.00 C ATOM 622 O ALA A 45 -2.661 6.421 -5.489 1.00 0.00 O ATOM 623 CB ALA A 45 -2.360 3.457 -4.695 1.00 0.00 C ATOM 0 H ALA A 45 -4.459 4.417 -6.077 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.657 4.314 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.461 3.575 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.764 2.455 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.111 3.603 -5.746 1.00 0.00 H new ATOM 629 N ARG A 46 -2.518 6.502 -3.244 1.00 0.00 N ATOM 630 CA ARG A 46 -1.964 7.850 -3.219 1.00 0.00 C ATOM 631 C ARG A 46 -1.090 8.056 -1.985 1.00 0.00 C ATOM 632 O ARG A 46 -1.535 7.855 -0.855 1.00 0.00 O ATOM 633 CB ARG A 46 -3.089 8.887 -3.238 1.00 0.00 C ATOM 634 CG ARG A 46 -3.636 9.166 -4.629 1.00 0.00 C ATOM 635 CD ARG A 46 -4.484 10.428 -4.650 1.00 0.00 C ATOM 636 NE ARG A 46 -5.510 10.381 -5.689 1.00 0.00 N ATOM 637 CZ ARG A 46 -5.266 10.613 -6.974 1.00 0.00 C ATOM 638 NH1 ARG A 46 -4.038 10.907 -7.376 1.00 0.00 N ATOM 639 NH2 ARG A 46 -6.253 10.551 -7.859 1.00 0.00 N ATOM 0 H ARG A 46 -2.645 6.081 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.345 7.978 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.902 8.541 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.721 9.818 -2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.810 9.270 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.234 8.318 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.958 10.562 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.842 11.294 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.466 10.158 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.277 10.956 -6.698 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.853 11.085 -8.363 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.199 10.325 -7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.065 10.729 -8.846 1.00 0.00 H new ATOM 653 N VAL A 47 0.157 8.457 -2.211 1.00 0.00 N ATOM 654 CA VAL A 47 1.094 8.690 -1.118 1.00 0.00 C ATOM 655 C VAL A 47 1.130 10.164 -0.730 1.00 0.00 C ATOM 656 O VAL A 47 0.981 11.044 -1.578 1.00 0.00 O ATOM 657 CB VAL A 47 2.517 8.235 -1.492 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.617 6.717 -1.466 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.909 8.779 -2.858 1.00 0.00 C ATOM 0 H VAL A 47 0.542 8.627 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 47 0.743 8.102 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 47 3.212 8.634 -0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.630 6.414 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.382 6.354 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.912 6.294 -2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.917 8.448 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.211 8.411 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.880 9.868 -2.838 1.00 0.00 H new ATOM 669 N HIS A 48 1.328 10.426 0.558 1.00 0.00 N ATOM 670 CA HIS A 48 1.384 11.795 1.060 1.00 0.00 C ATOM 671 C HIS A 48 2.776 12.121 1.593 1.00 0.00 C ATOM 672 O HIS A 48 3.286 11.443 2.486 1.00 0.00 O ATOM 673 CB HIS A 48 0.343 12.000 2.160 1.00 0.00 C ATOM 674 CG HIS A 48 -1.068 11.824 1.690 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.695 10.750 1.154 1.00 0.00 N flip ATOM 676 CD2 HIS A 48 -2.011 12.829 1.743 1.00 0.00 C flip ATOM 677 CE1 HIS A 48 -2.992 11.123 0.897 1.00 0.00 C flip ATOM 678 NE2 HIS A 48 -3.156 12.381 1.262 1.00 0.00 N flip ATOM 0 H HIS A 48 1.452 9.709 1.273 1.00 0.00 H new ATOM 0 HA HIS A 48 1.164 12.469 0.232 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.538 11.296 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.457 13.002 2.574 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.282 9.835 0.975 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.840 13.827 2.119 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.754 10.490 0.466 1.00 0.00 H new ATOM 687 N THR A 49 3.387 13.164 1.039 1.00 0.00 N ATOM 688 CA THR A 49 4.720 13.579 1.457 1.00 0.00 C ATOM 689 C THR A 49 4.658 14.451 2.705 1.00 0.00 C ATOM 690 O THR A 49 3.703 15.196 2.924 1.00 0.00 O ATOM 691 CB THR A 49 5.444 14.353 0.339 1.00 0.00 C ATOM 692 OG1 THR A 49 4.755 15.579 0.067 1.00 0.00 O ATOM 693 CG2 THR A 49 5.526 13.520 -0.931 1.00 0.00 C ATOM 0 H THR A 49 2.979 13.737 0.300 1.00 0.00 H new ATOM 0 HA THR A 49 5.279 12.670 1.680 1.00 0.00 H new ATOM 0 HB THR A 49 6.457 14.572 0.677 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.905 15.384 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.041 14.088 -1.706 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.076 12.601 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.520 13.274 -1.270 1.00 0.00 H new ATOM 701 N PRO A 50 5.700 14.359 3.545 1.00 0.00 N ATOM 702 CA PRO A 50 5.788 15.134 4.786 1.00 0.00 C ATOM 703 C PRO A 50 6.003 16.621 4.527 1.00 0.00 C ATOM 704 O PRO A 50 5.945 17.436 5.447 1.00 0.00 O ATOM 705 CB PRO A 50 7.005 14.533 5.494 1.00 0.00 C ATOM 706 CG PRO A 50 7.839 13.965 4.398 1.00 0.00 C ATOM 707 CD PRO A 50 6.873 13.491 3.347 1.00 0.00 C ATOM 0 HA PRO A 50 4.868 15.077 5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.551 15.291 6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.708 13.763 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.518 14.716 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.455 13.142 4.762 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.287 13.597 2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.621 12.439 3.478 1.00 0.00 H new ATOM 715 N SER A 51 6.251 16.968 3.267 1.00 0.00 N ATOM 716 CA SER A 51 6.478 18.357 2.888 1.00 0.00 C ATOM 717 C SER A 51 5.168 19.138 2.876 1.00 0.00 C ATOM 718 O SER A 51 5.124 20.306 3.261 1.00 0.00 O ATOM 719 CB SER A 51 7.141 18.430 1.511 1.00 0.00 C ATOM 720 OG SER A 51 8.547 18.287 1.613 1.00 0.00 O ATOM 0 H SER A 51 6.300 16.306 2.493 1.00 0.00 H new ATOM 0 HA SER A 51 7.141 18.806 3.627 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.739 17.647 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.903 19.383 1.039 1.00 0.00 H new ATOM 0 HG SER A 51 8.946 18.336 0.719 1.00 0.00 H new ATOM 726 N GLY A 52 4.100 18.484 2.430 1.00 0.00 N ATOM 727 CA GLY A 52 2.802 19.131 2.375 1.00 0.00 C ATOM 728 C GLY A 52 2.186 19.079 0.991 1.00 0.00 C ATOM 729 O GLY A 52 1.341 19.906 0.649 1.00 0.00 O ATOM 0 H GLY A 52 4.110 17.517 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.130 18.651 3.087 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.905 20.171 2.685 1.00 0.00 H new ATOM 733 N ALA A 53 2.612 18.106 0.191 1.00 0.00 N ATOM 734 CA ALA A 53 2.096 17.950 -1.163 1.00 0.00 C ATOM 735 C ALA A 53 1.583 16.533 -1.395 1.00 0.00 C ATOM 736 O ALA A 53 2.304 15.558 -1.180 1.00 0.00 O ATOM 737 CB ALA A 53 3.172 18.297 -2.181 1.00 0.00 C ATOM 0 H ALA A 53 3.313 17.415 0.458 1.00 0.00 H new ATOM 0 HA ALA A 53 1.259 18.636 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.773 18.176 -3.188 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.489 19.330 -2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.027 17.634 -2.047 1.00 0.00 H new ATOM 743 N VAL A 54 0.334 16.425 -1.835 1.00 0.00 N ATOM 744 CA VAL A 54 -0.276 15.127 -2.097 1.00 0.00 C ATOM 745 C VAL A 54 0.321 14.481 -3.343 1.00 0.00 C ATOM 746 O VAL A 54 0.228 15.028 -4.441 1.00 0.00 O ATOM 747 CB VAL A 54 -1.801 15.248 -2.275 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.393 13.921 -2.724 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.451 15.721 -0.984 1.00 0.00 C ATOM 0 H VAL A 54 -0.276 17.222 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.068 14.499 -1.230 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.002 15.989 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.471 14.026 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.948 13.627 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.184 13.157 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.529 15.801 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.243 15.006 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.048 16.696 -0.710 1.00 0.00 H new ATOM 759 N GLU A 55 0.932 13.314 -3.163 1.00 0.00 N ATOM 760 CA GLU A 55 1.544 12.594 -4.274 1.00 0.00 C ATOM 761 C GLU A 55 0.600 11.523 -4.813 1.00 0.00 C ATOM 762 O GLU A 55 -0.402 11.189 -4.181 1.00 0.00 O ATOM 763 CB GLU A 55 2.861 11.954 -3.832 1.00 0.00 C ATOM 764 CG GLU A 55 4.057 12.885 -3.940 1.00 0.00 C ATOM 765 CD GLU A 55 4.585 12.995 -5.357 1.00 0.00 C ATOM 766 OE1 GLU A 55 3.926 13.656 -6.187 1.00 0.00 O ATOM 767 OE2 GLU A 55 5.658 12.420 -5.636 1.00 0.00 O ATOM 0 H GLU A 55 1.016 12.848 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 55 1.746 13.310 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.764 11.619 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.046 11.067 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.775 13.876 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.852 12.526 -3.287 1.00 0.00 H new ATOM 774 N GLU A 56 0.929 10.989 -5.985 1.00 0.00 N ATOM 775 CA GLU A 56 0.110 9.956 -6.610 1.00 0.00 C ATOM 776 C GLU A 56 0.896 8.657 -6.762 1.00 0.00 C ATOM 777 O GLU A 56 2.122 8.643 -6.641 1.00 0.00 O ATOM 778 CB GLU A 56 -0.387 10.427 -7.978 1.00 0.00 C ATOM 779 CG GLU A 56 0.722 10.604 -9.002 1.00 0.00 C ATOM 780 CD GLU A 56 1.433 11.936 -8.867 1.00 0.00 C ATOM 781 OE1 GLU A 56 0.852 12.964 -9.273 1.00 0.00 O ATOM 782 OE2 GLU A 56 2.573 11.950 -8.355 1.00 0.00 O ATOM 0 H GLU A 56 1.756 11.254 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.748 9.768 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.111 9.707 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.913 11.374 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.446 9.797 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.303 10.520 -10.005 1.00 0.00 H new ATOM 789 N CYS A 57 0.182 7.569 -7.028 1.00 0.00 N ATOM 790 CA CYS A 57 0.812 6.264 -7.195 1.00 0.00 C ATOM 791 C CYS A 57 0.657 5.765 -8.629 1.00 0.00 C ATOM 792 O CYS A 57 0.101 6.459 -9.481 1.00 0.00 O ATOM 793 CB CYS A 57 0.203 5.252 -6.223 1.00 0.00 C ATOM 794 SG CYS A 57 0.620 5.553 -4.489 1.00 0.00 S ATOM 0 H CYS A 57 -0.833 7.564 -7.133 1.00 0.00 H new ATOM 0 HA CYS A 57 1.875 6.371 -6.979 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.881 5.266 -6.333 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.539 4.252 -6.498 1.00 0.00 H new ATOM 0 HG CYS A 57 1.832 5.143 -4.257 1.00 0.00 H new ATOM 800 N TYR A 58 1.153 4.561 -8.887 1.00 0.00 N ATOM 801 CA TYR A 58 1.074 3.971 -10.218 1.00 0.00 C ATOM 802 C TYR A 58 0.341 2.634 -10.179 1.00 0.00 C ATOM 803 O TYR A 58 0.822 1.666 -9.591 1.00 0.00 O ATOM 804 CB TYR A 58 2.477 3.780 -10.799 1.00 0.00 C ATOM 805 CG TYR A 58 2.502 2.941 -12.056 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.252 3.508 -13.299 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.778 1.580 -12.001 1.00 0.00 C ATOM 808 CE1 TYR A 58 2.273 2.745 -14.450 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.804 0.809 -13.147 1.00 0.00 C ATOM 810 CZ TYR A 58 2.550 1.397 -14.369 1.00 0.00 C ATOM 811 OH TYR A 58 2.574 0.633 -15.514 1.00 0.00 O ATOM 0 H TYR A 58 1.614 3.974 -8.192 1.00 0.00 H new ATOM 0 HA TYR A 58 0.513 4.653 -10.857 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.908 4.758 -11.016 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.112 3.312 -10.047 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.037 4.564 -13.367 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.976 1.117 -11.046 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.074 3.202 -15.408 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.022 -0.247 -13.087 1.00 0.00 H new ATOM 0 HH TYR A 58 2.786 -0.296 -15.283 1.00 0.00 H new ATOM 821 N VAL A 59 -0.828 2.589 -10.812 1.00 0.00 N ATOM 822 CA VAL A 59 -1.628 1.371 -10.852 1.00 0.00 C ATOM 823 C VAL A 59 -2.156 1.106 -12.257 1.00 0.00 C ATOM 824 O VAL A 59 -3.155 1.691 -12.677 1.00 0.00 O ATOM 825 CB VAL A 59 -2.817 1.448 -9.875 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.493 2.808 -9.963 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.810 0.331 -10.156 1.00 0.00 C ATOM 0 H VAL A 59 -1.241 3.382 -11.303 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.973 0.553 -10.553 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.440 1.321 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.330 2.844 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.775 3.588 -9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.858 2.968 -10.977 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.643 0.401 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.183 0.424 -11.176 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.316 -0.633 -10.037 1.00 0.00 H new ATOM 837 N SER A 60 -1.478 0.221 -12.981 1.00 0.00 N ATOM 838 CA SER A 60 -1.876 -0.120 -14.342 1.00 0.00 C ATOM 839 C SER A 60 -3.373 -0.405 -14.414 1.00 0.00 C ATOM 840 O SER A 60 -4.145 0.405 -14.927 1.00 0.00 O ATOM 841 CB SER A 60 -1.090 -1.335 -14.837 1.00 0.00 C ATOM 842 OG SER A 60 -1.408 -1.634 -16.185 1.00 0.00 O ATOM 0 H SER A 60 -0.650 -0.273 -12.648 1.00 0.00 H new ATOM 0 HA SER A 60 -1.654 0.733 -14.984 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.021 -1.142 -14.747 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.313 -2.197 -14.208 1.00 0.00 H new ATOM 0 HG SER A 60 -0.891 -2.413 -16.478 1.00 0.00 H new ATOM 848 N GLU A 61 -3.775 -1.562 -13.897 1.00 0.00 N ATOM 849 CA GLU A 61 -5.179 -1.954 -13.904 1.00 0.00 C ATOM 850 C GLU A 61 -5.386 -3.250 -13.126 1.00 0.00 C ATOM 851 O GLU A 61 -4.445 -3.799 -12.549 1.00 0.00 O ATOM 852 CB GLU A 61 -5.677 -2.125 -15.341 1.00 0.00 C ATOM 853 CG GLU A 61 -4.884 -3.142 -16.143 1.00 0.00 C ATOM 854 CD GLU A 61 -5.614 -3.598 -17.392 1.00 0.00 C ATOM 855 OE1 GLU A 61 -5.508 -2.907 -18.426 1.00 0.00 O ATOM 856 OE2 GLU A 61 -6.290 -4.646 -17.334 1.00 0.00 O ATOM 0 H GLU A 61 -3.149 -2.243 -13.468 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.752 -1.164 -13.420 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.724 -2.428 -15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.634 -1.161 -15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.925 -2.708 -16.425 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.670 -4.007 -15.515 1.00 0.00 H new ATOM 863 N LEU A 62 -6.623 -3.735 -13.112 1.00 0.00 N ATOM 864 CA LEU A 62 -6.954 -4.967 -12.404 1.00 0.00 C ATOM 865 C LEU A 62 -6.405 -6.183 -13.142 1.00 0.00 C ATOM 866 O LEU A 62 -6.924 -6.575 -14.187 1.00 0.00 O ATOM 867 CB LEU A 62 -8.470 -5.094 -12.246 1.00 0.00 C ATOM 868 CG LEU A 62 -8.974 -6.408 -11.648 1.00 0.00 C ATOM 869 CD1 LEU A 62 -8.888 -6.372 -10.130 1.00 0.00 C ATOM 870 CD2 LEU A 62 -10.402 -6.686 -12.097 1.00 0.00 C ATOM 0 H LEU A 62 -7.413 -3.294 -13.583 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.493 -4.926 -11.417 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.820 -4.274 -11.618 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.930 -4.964 -13.226 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.337 -7.216 -12.008 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.251 -7.316 -9.723 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.852 -6.221 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.500 -5.554 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.744 -7.625 -11.662 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.052 -5.875 -11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.434 -6.757 -13.184 1.00 0.00 H new ATOM 882 N ASP A 63 -5.353 -6.778 -12.589 1.00 0.00 N ATOM 883 CA ASP A 63 -4.734 -7.953 -13.192 1.00 0.00 C ATOM 884 C ASP A 63 -4.871 -9.168 -12.280 1.00 0.00 C ATOM 885 O ASP A 63 -4.277 -9.217 -11.203 1.00 0.00 O ATOM 886 CB ASP A 63 -3.258 -7.683 -13.487 1.00 0.00 C ATOM 887 CG ASP A 63 -2.516 -8.934 -13.917 1.00 0.00 C ATOM 888 OD1 ASP A 63 -2.710 -9.372 -15.070 1.00 0.00 O ATOM 889 OD2 ASP A 63 -1.742 -9.475 -13.099 1.00 0.00 O ATOM 0 H ASP A 63 -4.911 -6.466 -11.724 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.250 -8.165 -14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.179 -6.930 -14.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.782 -7.269 -12.598 1.00 0.00 H new ATOM 894 N SER A 64 -5.657 -10.146 -12.718 1.00 0.00 N ATOM 895 CA SER A 64 -5.875 -11.358 -11.939 1.00 0.00 C ATOM 896 C SER A 64 -6.505 -11.030 -10.588 1.00 0.00 C ATOM 897 O SER A 64 -6.141 -11.608 -9.564 1.00 0.00 O ATOM 898 CB SER A 64 -4.554 -12.101 -11.731 1.00 0.00 C ATOM 899 OG SER A 64 -4.181 -12.814 -12.897 1.00 0.00 O ATOM 0 H SER A 64 -6.153 -10.122 -13.609 1.00 0.00 H new ATOM 0 HA SER A 64 -6.560 -11.998 -12.494 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.770 -11.390 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.650 -12.792 -10.893 1.00 0.00 H new ATOM 0 HG SER A 64 -3.333 -13.279 -12.739 1.00 0.00 H new ATOM 905 N ASP A 65 -7.452 -10.099 -10.595 1.00 0.00 N ATOM 906 CA ASP A 65 -8.134 -9.693 -9.372 1.00 0.00 C ATOM 907 C ASP A 65 -7.148 -9.097 -8.372 1.00 0.00 C ATOM 908 O ASP A 65 -7.355 -9.170 -7.161 1.00 0.00 O ATOM 909 CB ASP A 65 -8.856 -10.887 -8.746 1.00 0.00 C ATOM 910 CG ASP A 65 -10.262 -11.061 -9.284 1.00 0.00 C ATOM 911 OD1 ASP A 65 -11.006 -10.059 -9.337 1.00 0.00 O ATOM 912 OD2 ASP A 65 -10.619 -12.199 -9.654 1.00 0.00 O ATOM 0 H ASP A 65 -7.765 -9.611 -11.434 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.867 -8.929 -9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.283 -11.795 -8.936 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.898 -10.756 -7.665 1.00 0.00 H new ATOM 917 N LYS A 66 -6.075 -8.507 -8.887 1.00 0.00 N ATOM 918 CA LYS A 66 -5.056 -7.898 -8.041 1.00 0.00 C ATOM 919 C LYS A 66 -4.529 -6.610 -8.665 1.00 0.00 C ATOM 920 O LYS A 66 -4.276 -6.550 -9.869 1.00 0.00 O ATOM 921 CB LYS A 66 -3.901 -8.876 -7.812 1.00 0.00 C ATOM 922 CG LYS A 66 -4.078 -9.749 -6.582 1.00 0.00 C ATOM 923 CD LYS A 66 -4.850 -11.018 -6.905 1.00 0.00 C ATOM 924 CE LYS A 66 -3.966 -12.048 -7.592 1.00 0.00 C ATOM 925 NZ LYS A 66 -4.435 -13.438 -7.339 1.00 0.00 N ATOM 0 H LYS A 66 -5.888 -8.438 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.514 -7.656 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.798 -9.515 -8.689 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.973 -8.313 -7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.101 -10.010 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.604 -9.188 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.257 -11.441 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.697 -10.777 -7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.954 -11.858 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.941 -11.941 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.807 -14.110 -7.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.422 -13.628 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.404 -13.548 -7.700 1.00 0.00 H new ATOM 939 N HIS A 67 -4.364 -5.581 -7.840 1.00 0.00 N ATOM 940 CA HIS A 67 -3.865 -4.294 -8.311 1.00 0.00 C ATOM 941 C HIS A 67 -2.422 -4.076 -7.868 1.00 0.00 C ATOM 942 O HIS A 67 -2.079 -4.285 -6.704 1.00 0.00 O ATOM 943 CB HIS A 67 -4.747 -3.159 -7.791 1.00 0.00 C ATOM 944 CG HIS A 67 -6.061 -3.048 -8.502 1.00 0.00 C ATOM 945 ND1 HIS A 67 -6.238 -2.291 -9.641 1.00 0.00 N ATOM 946 CD2 HIS A 67 -7.265 -3.604 -8.231 1.00 0.00 C ATOM 947 CE1 HIS A 67 -7.495 -2.385 -10.039 1.00 0.00 C ATOM 948 NE2 HIS A 67 -8.139 -3.177 -9.200 1.00 0.00 N ATOM 0 H HIS A 67 -4.569 -5.613 -6.841 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.896 -4.297 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.930 -3.311 -6.727 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.209 -2.217 -7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.495 -4.261 -7.406 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.923 -1.898 -10.903 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -9.125 -3.430 -9.262 1.00 0.00 H new ATOM 957 N THR A 68 -1.577 -3.656 -8.805 1.00 0.00 N ATOM 958 CA THR A 68 -0.170 -3.411 -8.512 1.00 0.00 C ATOM 959 C THR A 68 0.109 -1.921 -8.360 1.00 0.00 C ATOM 960 O THR A 68 -0.279 -1.117 -9.209 1.00 0.00 O ATOM 961 CB THR A 68 0.741 -3.983 -9.615 1.00 0.00 C ATOM 962 OG1 THR A 68 0.343 -5.320 -9.935 1.00 0.00 O ATOM 963 CG2 THR A 68 2.196 -3.973 -9.173 1.00 0.00 C ATOM 0 H THR A 68 -1.843 -3.478 -9.774 1.00 0.00 H new ATOM 0 HA THR A 68 0.049 -3.916 -7.571 1.00 0.00 H new ATOM 0 HB THR A 68 0.642 -3.354 -10.500 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.926 -5.675 -10.638 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.820 -4.381 -9.968 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.504 -2.950 -8.959 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.308 -4.581 -8.275 1.00 0.00 H new ATOM 971 N ILE A 69 0.783 -1.557 -7.274 1.00 0.00 N ATOM 972 CA ILE A 69 1.115 -0.162 -7.012 1.00 0.00 C ATOM 973 C ILE A 69 2.620 0.069 -7.096 1.00 0.00 C ATOM 974 O ILE A 69 3.411 -0.745 -6.620 1.00 0.00 O ATOM 975 CB ILE A 69 0.614 0.285 -5.627 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.719 -0.391 -5.299 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.471 1.799 -5.579 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.813 -0.087 -6.298 1.00 0.00 C ATOM 0 H ILE A 69 1.110 -2.209 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 69 0.616 0.431 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 69 1.347 -0.016 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.569 -1.470 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.044 -0.073 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.116 2.100 -4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.438 2.262 -5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.244 2.121 -6.336 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.729 -0.599 -6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.991 0.988 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.509 -0.430 -7.287 1.00 0.00 H new ATOM 990 N ARG A 70 3.008 1.187 -7.702 1.00 0.00 N ATOM 991 CA ARG A 70 4.418 1.526 -7.847 1.00 0.00 C ATOM 992 C ARG A 70 4.657 3.001 -7.535 1.00 0.00 C ATOM 993 O ARG A 70 4.069 3.882 -8.163 1.00 0.00 O ATOM 994 CB ARG A 70 4.898 1.209 -9.265 1.00 0.00 C ATOM 995 CG ARG A 70 6.376 0.866 -9.345 1.00 0.00 C ATOM 996 CD ARG A 70 6.717 0.171 -10.654 1.00 0.00 C ATOM 997 NE ARG A 70 6.283 -1.224 -10.662 1.00 0.00 N ATOM 998 CZ ARG A 70 6.028 -1.908 -11.772 1.00 0.00 C ATOM 999 NH1 ARG A 70 6.164 -1.329 -12.957 1.00 0.00 N ATOM 1000 NH2 ARG A 70 5.638 -3.174 -11.698 1.00 0.00 N ATOM 0 H ARG A 70 2.366 1.872 -8.100 1.00 0.00 H new ATOM 0 HA ARG A 70 4.985 0.925 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.318 0.374 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.697 2.066 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 70 6.968 1.777 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.647 0.222 -8.509 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.245 0.702 -11.480 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.793 0.217 -10.819 1.00 0.00 H new ATOM 0 HE ARG A 70 6.170 -1.699 -9.766 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.465 -0.356 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.968 -1.856 -13.808 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.534 -3.623 -10.788 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.442 -3.698 -12.551 1.00 0.00 H new ATOM 1014 N PHE A 71 5.523 3.262 -6.562 1.00 0.00 N ATOM 1015 CA PHE A 71 5.839 4.630 -6.166 1.00 0.00 C ATOM 1016 C PHE A 71 7.170 4.687 -5.422 1.00 0.00 C ATOM 1017 O PHE A 71 7.527 3.760 -4.695 1.00 0.00 O ATOM 1018 CB PHE A 71 4.724 5.198 -5.285 1.00 0.00 C ATOM 1019 CG PHE A 71 4.403 4.338 -4.095 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.288 4.244 -3.033 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.217 3.624 -4.040 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.996 3.455 -1.937 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.919 2.833 -2.946 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.810 2.747 -1.894 1.00 0.00 C ATOM 0 H PHE A 71 6.019 2.545 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 71 5.922 5.234 -7.070 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.015 6.190 -4.939 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.824 5.322 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.217 4.794 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.518 3.686 -4.861 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.694 3.392 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.990 2.283 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.580 2.128 -1.040 1.00 0.00 H new ATOM 1034 N ILE A 72 7.899 5.781 -5.611 1.00 0.00 N ATOM 1035 CA ILE A 72 9.190 5.960 -4.958 1.00 0.00 C ATOM 1036 C ILE A 72 9.147 7.114 -3.962 1.00 0.00 C ATOM 1037 O ILE A 72 8.694 8.217 -4.270 1.00 0.00 O ATOM 1038 CB ILE A 72 10.308 6.224 -5.984 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.677 4.930 -6.713 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.529 6.817 -5.297 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.524 5.152 -7.946 1.00 0.00 C ATOM 0 H ILE A 72 7.618 6.557 -6.211 1.00 0.00 H new ATOM 0 HA ILE A 72 9.406 5.033 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 72 9.944 6.942 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.214 4.276 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.763 4.410 -6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.310 6.998 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.256 7.758 -4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.896 6.121 -4.543 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.747 4.192 -8.412 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.981 5.780 -8.652 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.455 5.644 -7.664 1.00 0.00 H new ATOM 1053 N PRO A 73 9.632 6.857 -2.738 1.00 0.00 N ATOM 1054 CA PRO A 73 9.662 7.863 -1.672 1.00 0.00 C ATOM 1055 C PRO A 73 10.675 8.969 -1.947 1.00 0.00 C ATOM 1056 O PRO A 73 11.838 8.872 -1.555 1.00 0.00 O ATOM 1057 CB PRO A 73 10.073 7.058 -0.437 1.00 0.00 C ATOM 1058 CG PRO A 73 10.825 5.891 -0.978 1.00 0.00 C ATOM 1059 CD PRO A 73 10.188 5.566 -2.301 1.00 0.00 C ATOM 0 HA PRO A 73 8.705 8.374 -1.567 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.693 7.652 0.234 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.202 6.737 0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.881 6.130 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.768 5.041 -0.298 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.917 5.180 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.411 4.808 -2.198 1.00 0.00 H new ATOM 1067 N HIS A 74 10.225 10.021 -2.624 1.00 0.00 N ATOM 1068 CA HIS A 74 11.092 11.148 -2.951 1.00 0.00 C ATOM 1069 C HIS A 74 11.853 11.623 -1.717 1.00 0.00 C ATOM 1070 O HIS A 74 13.031 11.969 -1.799 1.00 0.00 O ATOM 1071 CB HIS A 74 10.271 12.299 -3.533 1.00 0.00 C ATOM 1072 CG HIS A 74 9.888 12.096 -4.967 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.143 11.020 -5.402 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.150 12.840 -6.067 1.00 0.00 C ATOM 1075 CE1 HIS A 74 8.965 11.110 -6.708 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.566 12.206 -7.136 1.00 0.00 N ATOM 0 H HIS A 74 9.266 10.117 -2.957 1.00 0.00 H new ATOM 0 HA HIS A 74 11.814 10.815 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.366 12.426 -2.938 1.00 0.00 H new ATOM 0 HB3 HIS A 74 10.843 13.223 -3.445 1.00 0.00 H new ATOM 0 HD1 HIS A 74 8.785 10.272 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.713 13.761 -6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.421 10.407 -7.321 1.00 0.00 H new ATOM 1085 N GLU A 75 11.171 11.638 -0.576 1.00 0.00 N ATOM 1086 CA GLU A 75 11.784 12.074 0.673 1.00 0.00 C ATOM 1087 C GLU A 75 11.695 10.979 1.733 1.00 0.00 C ATOM 1088 O GLU A 75 11.093 9.930 1.507 1.00 0.00 O ATOM 1089 CB GLU A 75 11.107 13.348 1.182 1.00 0.00 C ATOM 1090 CG GLU A 75 10.560 14.231 0.073 1.00 0.00 C ATOM 1091 CD GLU A 75 11.644 15.033 -0.621 1.00 0.00 C ATOM 1092 OE1 GLU A 75 12.042 16.086 -0.080 1.00 0.00 O ATOM 1093 OE2 GLU A 75 12.093 14.609 -1.706 1.00 0.00 O ATOM 0 H GLU A 75 10.195 11.354 -0.491 1.00 0.00 H new ATOM 0 HA GLU A 75 12.836 12.284 0.478 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.292 13.074 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.824 13.920 1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.046 13.610 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.818 14.913 0.489 1.00 0.00 H new ATOM 1100 N ASN A 76 12.298 11.233 2.890 1.00 0.00 N ATOM 1101 CA ASN A 76 12.288 10.269 3.984 1.00 0.00 C ATOM 1102 C ASN A 76 11.068 10.473 4.877 1.00 0.00 C ATOM 1103 O ASN A 76 10.273 11.386 4.660 1.00 0.00 O ATOM 1104 CB ASN A 76 13.568 10.395 4.814 1.00 0.00 C ATOM 1105 CG ASN A 76 14.747 9.694 4.168 1.00 0.00 C ATOM 1106 OD1 ASN A 76 14.542 8.447 3.759 1.00 0.00 O flip ATOM 1107 ND2 ASN A 76 15.829 10.266 4.038 1.00 0.00 N flip ATOM 0 H ASN A 76 12.799 12.098 3.094 1.00 0.00 H new ATOM 0 HA ASN A 76 12.239 9.269 3.554 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.807 11.450 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.398 9.975 5.805 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.942 11.225 4.367 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.613 9.781 3.601 1.00 0.00 H new ATOM 1114 N GLY A 77 10.927 9.614 5.883 1.00 0.00 N ATOM 1115 CA GLY A 77 9.802 9.717 6.794 1.00 0.00 C ATOM 1116 C GLY A 77 8.694 8.738 6.459 1.00 0.00 C ATOM 1117 O GLY A 77 8.673 8.162 5.371 1.00 0.00 O ATOM 0 H GLY A 77 11.572 8.849 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.146 9.538 7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.407 10.732 6.765 1.00 0.00 H new ATOM 1121 N VAL A 78 7.771 8.548 7.397 1.00 0.00 N ATOM 1122 CA VAL A 78 6.655 7.632 7.196 1.00 0.00 C ATOM 1123 C VAL A 78 5.567 8.270 6.340 1.00 0.00 C ATOM 1124 O VAL A 78 4.898 9.212 6.767 1.00 0.00 O ATOM 1125 CB VAL A 78 6.043 7.191 8.539 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.808 6.333 8.307 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.073 6.443 9.373 1.00 0.00 C ATOM 0 H VAL A 78 7.774 9.016 8.303 1.00 0.00 H new ATOM 0 HA VAL A 78 7.052 6.757 6.681 1.00 0.00 H new ATOM 0 HB VAL A 78 5.739 8.081 9.090 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.389 6.031 9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.066 6.906 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.083 5.446 7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.624 6.139 10.318 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.409 5.560 8.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.925 7.094 9.569 1.00 0.00 H new ATOM 1137 N HIS A 79 5.395 7.751 5.128 1.00 0.00 N ATOM 1138 CA HIS A 79 4.386 8.269 4.211 1.00 0.00 C ATOM 1139 C HIS A 79 3.023 7.643 4.492 1.00 0.00 C ATOM 1140 O HIS A 79 2.929 6.607 5.149 1.00 0.00 O ATOM 1141 CB HIS A 79 4.796 7.998 2.763 1.00 0.00 C ATOM 1142 CG HIS A 79 5.951 8.832 2.302 1.00 0.00 C ATOM 1143 ND1 HIS A 79 7.051 9.097 3.090 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.175 9.460 1.124 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.900 9.853 2.418 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.393 10.088 1.222 1.00 0.00 N ATOM 0 H HIS A 79 5.941 6.973 4.759 1.00 0.00 H new ATOM 0 HA HIS A 79 4.310 9.345 4.364 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.055 6.944 2.658 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.942 8.183 2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.518 9.466 0.267 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.848 10.217 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 79 7.834 10.645 0.490 1.00 0.00 H new ATOM 1155 N SER A 80 1.970 8.281 3.990 1.00 0.00 N ATOM 1156 CA SER A 80 0.612 7.789 4.191 1.00 0.00 C ATOM 1157 C SER A 80 0.020 7.277 2.882 1.00 0.00 C ATOM 1158 O SER A 80 -0.270 8.056 1.973 1.00 0.00 O ATOM 1159 CB SER A 80 -0.274 8.896 4.766 1.00 0.00 C ATOM 1160 OG SER A 80 -1.475 8.364 5.298 1.00 0.00 O ATOM 0 H SER A 80 2.031 9.139 3.442 1.00 0.00 H new ATOM 0 HA SER A 80 0.653 6.961 4.899 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.267 9.431 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.508 9.621 3.986 1.00 0.00 H new ATOM 0 HG SER A 80 -1.396 8.289 6.272 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.155 5.963 2.793 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.712 5.346 1.596 1.00 0.00 C ATOM 1168 C ILE A 81 -2.234 5.285 1.667 1.00 0.00 C ATOM 1169 O ILE A 81 -2.799 4.539 2.468 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.161 3.923 1.387 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.328 3.874 1.733 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.393 3.471 -0.047 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.220 4.436 0.648 1.00 0.00 C ATOM 0 H ILE A 81 0.081 5.305 3.536 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.415 5.969 0.752 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.692 3.242 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.497 4.430 2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.614 2.840 1.928 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.002 2.464 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.462 3.473 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.115 4.152 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.262 4.369 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.080 3.865 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.962 5.480 0.469 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.893 6.071 0.823 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.350 6.105 0.788 1.00 0.00 C ATOM 1187 C ASP A 82 -4.899 4.975 -0.078 1.00 0.00 C ATOM 1188 O ASP A 82 -4.719 4.969 -1.296 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.838 7.454 0.258 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.207 7.361 -0.388 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -6.285 6.906 -1.549 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -7.199 7.743 0.266 1.00 0.00 O ATOM 0 H ASP A 82 -2.441 6.694 0.153 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.716 5.970 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.874 8.172 1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.121 7.836 -0.469 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.568 4.019 0.559 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.143 2.884 -0.153 1.00 0.00 C ATOM 1199 C VAL A 83 -7.666 2.902 -0.077 1.00 0.00 C ATOM 1200 O VAL A 83 -8.250 2.589 0.960 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.627 1.547 0.412 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.414 0.383 -0.169 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.140 1.390 0.132 1.00 0.00 C ATOM 0 H VAL A 83 -5.725 4.008 1.567 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.833 2.973 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.772 1.548 1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.035 -0.553 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.468 0.492 0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.304 0.374 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.792 0.440 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.968 1.410 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.593 2.208 0.602 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.303 3.269 -1.183 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.759 3.327 -1.244 1.00 0.00 C ATOM 1215 C LYS A 84 -10.307 2.258 -2.186 1.00 0.00 C ATOM 1216 O LYS A 84 -9.643 1.863 -3.144 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.217 4.712 -1.707 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.371 5.711 -0.573 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.363 6.806 -0.927 1.00 0.00 C ATOM 1220 CE LYS A 84 -10.681 7.970 -1.629 1.00 0.00 C ATOM 1221 NZ LYS A 84 -11.657 8.827 -2.357 1.00 0.00 N ATOM 0 H LYS A 84 -7.834 3.531 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.147 3.139 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.498 5.101 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.170 4.615 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.704 5.193 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.403 6.156 -0.344 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -12.143 6.398 -1.570 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.852 7.162 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.145 8.572 -0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.940 7.587 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -11.153 9.609 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.151 8.258 -3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.350 9.213 -1.684 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.521 1.797 -1.907 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.158 0.774 -2.729 1.00 0.00 C ATOM 1237 C PHE A 85 -13.609 1.140 -3.024 1.00 0.00 C ATOM 1238 O PHE A 85 -14.489 0.961 -2.183 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.094 -0.585 -2.030 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.416 -1.740 -2.935 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.669 -1.970 -4.079 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.466 -2.595 -2.642 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -11.963 -3.032 -4.914 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.764 -3.659 -3.473 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.012 -3.877 -4.611 1.00 0.00 C ATOM 0 H PHE A 85 -12.084 2.115 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.618 0.714 -3.674 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.095 -0.725 -1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.790 -0.586 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.848 -1.312 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.058 -2.428 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.373 -3.200 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.584 -4.319 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.244 -4.707 -5.262 1.00 0.00 H new ATOM 1255 N ASN A 86 -13.851 1.655 -4.226 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.196 2.048 -4.633 1.00 0.00 C ATOM 1257 C ASN A 86 -15.865 2.894 -3.554 1.00 0.00 C ATOM 1258 O ASN A 86 -17.008 2.645 -3.175 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.045 0.809 -4.924 1.00 0.00 C ATOM 1260 CG ASN A 86 -15.888 0.324 -6.352 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -15.161 0.920 -7.146 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.573 -0.764 -6.686 1.00 0.00 N ATOM 0 H ASN A 86 -13.134 1.810 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.114 2.646 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.763 0.010 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.094 1.037 -4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.508 -1.137 -7.633 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.164 -1.227 -5.995 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.142 3.897 -3.064 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.682 4.766 -2.034 1.00 0.00 C ATOM 1271 C GLY A 87 -15.806 4.069 -0.694 1.00 0.00 C ATOM 1272 O GLY A 87 -16.836 4.169 -0.028 1.00 0.00 O ATOM 0 H GLY A 87 -14.193 4.123 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -15.040 5.640 -1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.663 5.127 -2.345 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.754 3.361 -0.298 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.749 2.645 0.972 1.00 0.00 C ATOM 1278 C ALA A 88 -13.325 2.412 1.466 1.00 0.00 C ATOM 1279 O ALA A 88 -12.581 1.615 0.893 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.484 1.320 0.834 1.00 0.00 C ATOM 0 H ALA A 88 -13.894 3.268 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.266 3.260 1.709 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.472 0.796 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.515 1.506 0.534 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.991 0.708 0.079 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.951 3.114 2.531 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.614 2.984 3.101 1.00 0.00 C ATOM 1288 C HIS A 89 -11.398 1.582 3.662 1.00 0.00 C ATOM 1289 O HIS A 89 -12.234 1.063 4.403 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.403 4.024 4.201 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.832 5.316 3.703 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.494 5.634 3.799 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.426 6.372 3.098 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.290 6.831 3.278 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.446 7.300 2.845 1.00 0.00 N ATOM 0 H HIS A 89 -13.554 3.778 3.017 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.888 3.155 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.357 4.222 4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.737 3.610 4.958 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.475 6.467 2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.339 7.340 3.217 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.588 8.205 2.396 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.272 0.974 3.304 1.00 0.00 N ATOM 1305 CA ILE A 90 -9.946 -0.367 3.773 1.00 0.00 C ATOM 1306 C ILE A 90 -9.466 -0.343 5.220 1.00 0.00 C ATOM 1307 O ILE A 90 -8.899 0.641 5.696 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.862 -1.022 2.896 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.517 -0.324 3.103 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.268 -0.977 1.430 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.326 -1.197 2.776 1.00 0.00 C ATOM 0 H ILE A 90 -9.570 1.389 2.691 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.861 -0.955 3.706 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.758 -2.066 3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.482 0.571 2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.443 0.004 4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.492 -1.444 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.206 -1.515 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.397 0.060 1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.407 -0.637 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.336 -2.080 3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.376 -1.504 1.731 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.698 -1.452 5.939 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.295 -1.584 7.342 1.00 0.00 C ATOM 1325 C PRO A 91 -7.782 -1.676 7.505 1.00 0.00 C ATOM 1326 O PRO A 91 -7.181 -2.715 7.236 1.00 0.00 O ATOM 1327 CB PRO A 91 -9.960 -2.891 7.780 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.125 -3.672 6.523 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.369 -2.662 5.436 1.00 0.00 C ATOM 0 HA PRO A 91 -9.592 -0.719 7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.343 -3.427 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.921 -2.705 8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.235 -4.265 6.312 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.960 -4.368 6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -9.950 -2.987 4.484 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.434 -2.494 5.275 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.171 -0.581 7.948 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.733 -0.560 8.139 1.00 0.00 C ATOM 1339 C GLY A 92 -5.069 0.596 7.417 1.00 0.00 C ATOM 1340 O GLY A 92 -3.900 0.898 7.657 1.00 0.00 O ATOM 0 H GLY A 92 -7.647 0.292 8.178 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.512 -0.494 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.309 -1.499 7.783 1.00 0.00 H new ATOM 1344 N SER A 93 -5.815 1.242 6.527 1.00 0.00 N ATOM 1345 CA SER A 93 -5.289 2.367 5.762 1.00 0.00 C ATOM 1346 C SER A 93 -5.588 3.688 6.465 1.00 0.00 C ATOM 1347 O SER A 93 -6.553 3.816 7.218 1.00 0.00 O ATOM 1348 CB SER A 93 -5.889 2.379 4.355 1.00 0.00 C ATOM 1349 OG SER A 93 -6.011 3.703 3.863 1.00 0.00 O ATOM 0 H SER A 93 -6.785 1.006 6.318 1.00 0.00 H new ATOM 0 HA SER A 93 -4.208 2.251 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.260 1.795 3.683 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.869 1.902 4.370 1.00 0.00 H new ATOM 0 HG SER A 93 -6.772 3.754 3.248 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.739 4.696 6.214 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.586 4.556 5.320 1.00 0.00 C ATOM 1357 C PRO A 94 -2.502 3.659 5.908 1.00 0.00 C ATOM 1358 O PRO A 94 -2.294 3.634 7.121 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.072 5.990 5.175 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.525 6.682 6.414 1.00 0.00 C ATOM 1361 CD PRO A 94 -4.839 6.050 6.784 1.00 0.00 C ATOM 0 HA PRO A 94 -3.859 4.089 4.374 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -1.986 6.014 5.083 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.478 6.468 4.284 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.796 6.564 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.641 7.752 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.981 6.022 7.864 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.682 6.601 6.366 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.813 2.924 5.041 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.750 2.025 5.475 1.00 0.00 C ATOM 1371 C PHE A 95 0.543 2.795 5.729 1.00 0.00 C ATOM 1372 O PHE A 95 1.194 3.263 4.795 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.512 0.938 4.426 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.573 -0.126 4.414 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.831 -0.878 5.548 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.311 -0.373 3.268 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.807 -1.857 5.541 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.288 -1.351 3.254 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.535 -2.094 4.392 1.00 0.00 C ATOM 0 H PHE A 95 -1.972 2.933 4.034 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.063 1.557 6.408 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.461 1.400 3.440 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.456 0.472 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.263 -0.697 6.449 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.121 0.205 2.376 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.000 -2.435 6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.857 -1.534 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.297 -2.860 4.383 1.00 0.00 H new ATOM 1389 N LYS A 96 0.910 2.922 7.000 1.00 0.00 N ATOM 1390 CA LYS A 96 2.125 3.633 7.379 1.00 0.00 C ATOM 1391 C LYS A 96 3.366 2.832 6.997 1.00 0.00 C ATOM 1392 O LYS A 96 3.662 1.802 7.604 1.00 0.00 O ATOM 1393 CB LYS A 96 2.128 3.913 8.883 1.00 0.00 C ATOM 1394 CG LYS A 96 0.923 4.707 9.357 1.00 0.00 C ATOM 1395 CD LYS A 96 1.105 6.196 9.113 1.00 0.00 C ATOM 1396 CE LYS A 96 1.806 6.870 10.282 1.00 0.00 C ATOM 1397 NZ LYS A 96 2.320 8.219 9.917 1.00 0.00 N ATOM 0 H LYS A 96 0.382 2.541 7.786 1.00 0.00 H new ATOM 0 HA LYS A 96 2.146 4.580 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.162 2.965 9.420 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.036 4.458 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.030 4.359 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.764 4.528 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.685 6.349 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.132 6.661 8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.113 6.960 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.633 6.245 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.960 8.560 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.837 8.162 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.523 8.879 9.817 1.00 0.00 H new ATOM 1411 N ILE A 97 4.087 3.312 5.990 1.00 0.00 N ATOM 1412 CA ILE A 97 5.297 2.641 5.530 1.00 0.00 C ATOM 1413 C ILE A 97 6.542 3.448 5.884 1.00 0.00 C ATOM 1414 O ILE A 97 6.647 4.627 5.545 1.00 0.00 O ATOM 1415 CB ILE A 97 5.267 2.406 4.008 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.875 3.693 3.280 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.302 1.281 3.665 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.459 3.801 1.888 1.00 0.00 C ATOM 0 H ILE A 97 3.855 4.163 5.477 1.00 0.00 H new ATOM 0 HA ILE A 97 5.335 1.677 6.037 1.00 0.00 H new ATOM 0 HB ILE A 97 6.265 2.115 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.788 3.748 3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.202 4.549 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.292 1.127 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.622 0.364 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.300 1.545 4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.140 4.738 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.547 3.778 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.111 2.965 1.282 1.00 0.00 H new ATOM 1430 N ARG A 98 7.483 2.805 6.568 1.00 0.00 N ATOM 1431 CA ARG A 98 8.721 3.463 6.967 1.00 0.00 C ATOM 1432 C ARG A 98 9.691 3.556 5.793 1.00 0.00 C ATOM 1433 O ARG A 98 9.851 2.604 5.030 1.00 0.00 O ATOM 1434 CB ARG A 98 9.375 2.707 8.125 1.00 0.00 C ATOM 1435 CG ARG A 98 10.526 3.460 8.772 1.00 0.00 C ATOM 1436 CD ARG A 98 11.842 3.182 8.062 1.00 0.00 C ATOM 1437 NE ARG A 98 12.802 4.268 8.244 1.00 0.00 N ATOM 1438 CZ ARG A 98 13.430 4.509 9.390 1.00 0.00 C ATOM 1439 NH1 ARG A 98 13.201 3.745 10.449 1.00 0.00 N ATOM 1440 NH2 ARG A 98 14.289 5.516 9.477 1.00 0.00 N ATOM 0 H ARG A 98 7.411 1.829 6.857 1.00 0.00 H new ATOM 0 HA ARG A 98 8.477 4.474 7.294 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.620 2.495 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.740 1.747 7.761 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.319 4.530 8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.608 3.171 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.269 2.253 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.656 3.037 6.998 1.00 0.00 H new ATOM 0 HE ARG A 98 13.001 4.874 7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.541 2.970 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.685 3.932 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.468 6.106 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.771 5.701 10.357 1.00 0.00 H new ATOM 1454 N VAL A 99 10.336 4.710 5.655 1.00 0.00 N ATOM 1455 CA VAL A 99 11.291 4.927 4.575 1.00 0.00 C ATOM 1456 C VAL A 99 12.624 5.436 5.113 1.00 0.00 C ATOM 1457 O VAL A 99 12.685 6.478 5.763 1.00 0.00 O ATOM 1458 CB VAL A 99 10.750 5.933 3.541 1.00 0.00 C ATOM 1459 CG1 VAL A 99 11.738 6.108 2.398 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.394 5.483 3.020 1.00 0.00 C ATOM 0 H VAL A 99 10.215 5.509 6.278 1.00 0.00 H new ATOM 0 HA VAL A 99 11.443 3.963 4.089 1.00 0.00 H new ATOM 0 HB VAL A 99 10.624 6.899 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.338 6.822 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.685 6.479 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 99 11.899 5.149 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.027 6.205 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.492 4.506 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.690 5.415 3.849 1.00 0.00 H new ATOM 1470 N GLY A 100 13.691 4.691 4.837 1.00 0.00 N ATOM 1471 CA GLY A 100 15.009 5.083 5.300 1.00 0.00 C ATOM 1472 C GLY A 100 16.044 3.995 5.091 1.00 0.00 C ATOM 1473 O GLY A 100 15.702 2.819 4.976 1.00 0.00 O ATOM 0 H GLY A 100 13.665 3.823 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.322 5.984 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.959 5.334 6.360 1.00 0.00 H new ATOM 1477 N GLU A 101 17.312 4.390 5.041 1.00 0.00 N ATOM 1478 CA GLU A 101 18.400 3.439 4.841 1.00 0.00 C ATOM 1479 C GLU A 101 18.575 2.548 6.068 1.00 0.00 C ATOM 1480 O GLU A 101 18.512 3.019 7.203 1.00 0.00 O ATOM 1481 CB GLU A 101 19.705 4.179 4.543 1.00 0.00 C ATOM 1482 CG GLU A 101 20.219 5.002 5.712 1.00 0.00 C ATOM 1483 CD GLU A 101 21.057 4.185 6.677 1.00 0.00 C ATOM 1484 OE1 GLU A 101 21.698 3.212 6.229 1.00 0.00 O ATOM 1485 OE2 GLU A 101 21.070 4.518 7.881 1.00 0.00 O ATOM 0 H GLU A 101 17.611 5.360 5.136 1.00 0.00 H new ATOM 0 HA GLU A 101 18.146 2.808 3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 101 20.467 3.454 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.553 4.836 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 101 20.814 5.833 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.373 5.434 6.247 1.00 0.00 H new ATOM 1492 N GLN A 102 18.795 1.259 5.829 1.00 0.00 N ATOM 1493 CA GLN A 102 18.979 0.303 6.914 1.00 0.00 C ATOM 1494 C GLN A 102 20.455 0.160 7.271 1.00 0.00 C ATOM 1495 O GLN A 102 21.328 0.340 6.422 1.00 0.00 O ATOM 1496 CB GLN A 102 18.402 -1.060 6.524 1.00 0.00 C ATOM 1497 CG GLN A 102 17.202 -0.969 5.596 1.00 0.00 C ATOM 1498 CD GLN A 102 16.653 -2.330 5.216 1.00 0.00 C ATOM 1499 OE1 GLN A 102 16.102 -3.045 6.053 1.00 0.00 O ATOM 1500 NE2 GLN A 102 16.802 -2.696 3.949 1.00 0.00 N ATOM 0 H GLN A 102 18.850 0.853 4.895 1.00 0.00 H new ATOM 0 HA GLN A 102 18.448 0.679 7.789 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.181 -1.650 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 102 18.112 -1.595 7.428 1.00 0.00 H new ATOM 0 HG2 GLN A 102 16.417 -0.387 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 102 17.487 -0.431 4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 102 17.265 -2.071 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.453 -3.602 3.635 1.00 0.00 H new ATOM 1509 N SER A 103 20.725 -0.164 8.531 1.00 0.00 N ATOM 1510 CA SER A 103 22.096 -0.326 9.001 1.00 0.00 C ATOM 1511 C SER A 103 22.755 -1.537 8.346 1.00 0.00 C ATOM 1512 O SER A 103 22.784 -2.625 8.920 1.00 0.00 O ATOM 1513 CB SER A 103 22.121 -0.478 10.523 1.00 0.00 C ATOM 1514 OG SER A 103 23.421 -0.245 11.038 1.00 0.00 O ATOM 0 H SER A 103 20.013 -0.320 9.245 1.00 0.00 H new ATOM 0 HA SER A 103 22.657 0.566 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 103 21.417 0.222 10.973 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.792 -1.481 10.797 1.00 0.00 H new ATOM 0 HG SER A 103 23.410 -0.347 12.013 1.00 0.00 H new ATOM 1520 N GLN A 104 23.282 -1.337 7.143 1.00 0.00 N ATOM 1521 CA GLN A 104 23.939 -2.412 6.409 1.00 0.00 C ATOM 1522 C GLN A 104 23.112 -3.692 6.462 1.00 0.00 C ATOM 1523 O GLN A 104 23.658 -4.794 6.511 1.00 0.00 O ATOM 1524 CB GLN A 104 25.335 -2.669 6.981 1.00 0.00 C ATOM 1525 CG GLN A 104 26.315 -3.233 5.965 1.00 0.00 C ATOM 1526 CD GLN A 104 27.645 -3.612 6.585 1.00 0.00 C ATOM 1527 OE1 GLN A 104 27.694 -4.194 7.669 1.00 0.00 O ATOM 1528 NE2 GLN A 104 28.733 -3.283 5.899 1.00 0.00 N ATOM 0 H GLN A 104 23.267 -0.441 6.656 1.00 0.00 H new ATOM 0 HA GLN A 104 24.031 -2.104 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 104 25.733 -1.735 7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 104 25.253 -3.362 7.818 1.00 0.00 H new ATOM 0 HG2 GLN A 104 25.876 -4.111 5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 104 26.482 -2.496 5.179 1.00 0.00 H new ATOM 0 HE21 GLN A 104 28.645 -2.801 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 104 29.656 -3.512 6.267 1.00 0.00 H new ATOM 1537 N ALA A 105 21.792 -3.539 6.451 1.00 0.00 N ATOM 1538 CA ALA A 105 20.890 -4.683 6.496 1.00 0.00 C ATOM 1539 C ALA A 105 20.172 -4.868 5.163 1.00 0.00 C ATOM 1540 O ALA A 105 19.813 -3.896 4.500 1.00 0.00 O ATOM 1541 CB ALA A 105 19.881 -4.515 7.622 1.00 0.00 C ATOM 0 H ALA A 105 21.324 -2.634 6.411 1.00 0.00 H new ATOM 0 HA ALA A 105 21.485 -5.577 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 105 19.214 -5.377 7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 105 20.407 -4.439 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 105 19.298 -3.609 7.456 1.00 0.00 H new ATOM 1547 N GLY A 106 19.966 -6.123 4.776 1.00 0.00 N ATOM 1548 CA GLY A 106 19.292 -6.412 3.524 1.00 0.00 C ATOM 1549 C GLY A 106 19.719 -7.740 2.930 1.00 0.00 C ATOM 1550 O GLY A 106 20.865 -8.160 3.089 1.00 0.00 O ATOM 0 H GLY A 106 20.254 -6.945 5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.214 -6.420 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.499 -5.615 2.810 1.00 0.00 H new ATOM 1554 N SER A 107 18.794 -8.404 2.243 1.00 0.00 N ATOM 1555 CA SER A 107 19.078 -9.695 1.628 1.00 0.00 C ATOM 1556 C SER A 107 20.260 -9.591 0.669 1.00 0.00 C ATOM 1557 O SER A 107 20.388 -8.619 -0.074 1.00 0.00 O ATOM 1558 CB SER A 107 17.846 -10.211 0.882 1.00 0.00 C ATOM 1559 OG SER A 107 16.817 -10.572 1.786 1.00 0.00 O ATOM 0 H SER A 107 17.842 -8.069 2.099 1.00 0.00 H new ATOM 0 HA SER A 107 19.335 -10.398 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.482 -9.443 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 107 18.120 -11.074 0.274 1.00 0.00 H new ATOM 0 HG SER A 107 16.040 -10.897 1.285 1.00 0.00 H new ATOM 1565 N GLY A 108 21.124 -10.601 0.693 1.00 0.00 N ATOM 1566 CA GLY A 108 22.286 -10.605 -0.178 1.00 0.00 C ATOM 1567 C GLY A 108 22.101 -11.500 -1.387 1.00 0.00 C ATOM 1568 O GLY A 108 21.597 -11.076 -2.428 1.00 0.00 O ATOM 0 H GLY A 108 21.041 -11.417 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 108 22.490 -9.587 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 108 23.158 -10.937 0.386 1.00 0.00 H new ATOM 1572 N PRO A 109 22.515 -12.769 -1.258 1.00 0.00 N ATOM 1573 CA PRO A 109 22.404 -13.752 -2.340 1.00 0.00 C ATOM 1574 C PRO A 109 20.958 -14.149 -2.615 1.00 0.00 C ATOM 1575 O PRO A 109 20.489 -15.187 -2.147 1.00 0.00 O ATOM 1576 CB PRO A 109 23.197 -14.950 -1.813 1.00 0.00 C ATOM 1577 CG PRO A 109 23.142 -14.819 -0.330 1.00 0.00 C ATOM 1578 CD PRO A 109 23.124 -13.342 -0.046 1.00 0.00 C ATOM 0 HA PRO A 109 22.776 -13.361 -3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.758 -15.891 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 109 24.225 -14.934 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 109 22.253 -15.305 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 109 24.004 -15.296 0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 109 22.540 -13.111 0.845 1.00 0.00 H new ATOM 0 HD3 PRO A 109 24.128 -12.953 0.122 1.00 0.00 H new ATOM 1586 N SER A 110 20.255 -13.318 -3.378 1.00 0.00 N ATOM 1587 CA SER A 110 18.861 -13.581 -3.713 1.00 0.00 C ATOM 1588 C SER A 110 18.711 -13.907 -5.196 1.00 0.00 C ATOM 1589 O SER A 110 19.437 -13.376 -6.036 1.00 0.00 O ATOM 1590 CB SER A 110 17.991 -12.375 -3.354 1.00 0.00 C ATOM 1591 OG SER A 110 16.634 -12.752 -3.201 1.00 0.00 O ATOM 0 H SER A 110 20.629 -12.456 -3.776 1.00 0.00 H new ATOM 0 HA SER A 110 18.531 -14.443 -3.134 1.00 0.00 H new ATOM 0 HB2 SER A 110 18.353 -11.924 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 110 18.075 -11.617 -4.133 1.00 0.00 H new ATOM 0 HG SER A 110 16.100 -11.964 -2.970 1.00 0.00 H new ATOM 1597 N SER A 111 17.763 -14.784 -5.509 1.00 0.00 N ATOM 1598 CA SER A 111 17.518 -15.185 -6.890 1.00 0.00 C ATOM 1599 C SER A 111 18.789 -15.738 -7.528 1.00 0.00 C ATOM 1600 O SER A 111 19.104 -15.433 -8.678 1.00 0.00 O ATOM 1601 CB SER A 111 17.000 -13.998 -7.704 1.00 0.00 C ATOM 1602 OG SER A 111 16.164 -14.431 -8.763 1.00 0.00 O ATOM 0 H SER A 111 17.152 -15.231 -4.825 1.00 0.00 H new ATOM 0 HA SER A 111 16.762 -15.971 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 111 16.447 -13.321 -7.053 1.00 0.00 H new ATOM 0 HB3 SER A 111 17.842 -13.435 -8.108 1.00 0.00 H new ATOM 0 HG SER A 111 15.845 -13.653 -9.267 1.00 0.00 H new ATOM 1608 N GLY A 112 19.517 -16.554 -6.772 1.00 0.00 N ATOM 1609 CA GLY A 112 20.745 -17.137 -7.279 1.00 0.00 C ATOM 1610 C GLY A 112 21.646 -17.647 -6.171 1.00 0.00 C ATOM 1611 O GLY A 112 22.690 -18.243 -6.436 1.00 0.00 O ATOM 0 H GLY A 112 19.278 -16.822 -5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 112 20.502 -17.959 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 112 21.282 -16.392 -7.866 1.00 0.00 H new TER 1615 GLY A 112