USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=26 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 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0 X(o=-0.99,f=-0.98) USER MOD Set 1.3: A 93 SER OG : rot -150:sc= -0.993 USER MOD Set 2.1: A 35 GLN : amide:sc= -6.74! C(o=-15!,f=-17!) USER MOD Set 2.2: A 37 ASN : amide:sc= -8.03! C(o=-15!,f=-17!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 40:sc= 1.08 USER MOD Single : A 8 SER OG : rot -113:sc= 0.0621 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.343 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= -2.3 K(o=-2.3,f=-7.6!) USER MOD Single : A 22 THR OG1 : rot 44:sc= 0.0567 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc=-0.00936 (180deg=-0.151) USER MOD Single : A 27 ASN : amide:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : A 28 GLN : amide:sc= -1.01 K(o=-1,f=-2.8) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -71:sc= 1.46 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -101:sc= 0.451 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 :FLIP no HD1:sc= -2.27 F(o=-3.2!,f=-2.3) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 0.231 K(o=0.23,f=-1.4) USER MOD Single : A 76 ASN : amide:sc= 0.34 K(o=0.34,f=-0.41) USER MOD Single : A 79 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.215 USER MOD Single : A 86 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.9) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0194 X(o=-0.019,f=0) USER MOD Single : A 103 SER OG : rot 30:sc= 0.874 USER MOD Single : A 104 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 107 SER OG : rot 17:sc= 0.439 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 -27.510 -3.900 15.943 1.00 0.00 N ATOM 2 CA GLY A 1 -26.195 -4.375 16.333 1.00 0.00 C ATOM 3 C GLY A 1 -25.130 -4.034 15.310 1.00 0.00 C ATOM 4 O GLY A 1 -24.931 -2.867 14.975 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.203 -4.157 16.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.488 -2.866 15.836 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.783 -4.336 15.039 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.924 -3.938 17.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.229 -5.456 16.472 1.00 0.00 H new ATOM 8 N SER A 2 -24.440 -5.057 14.813 1.00 0.00 N ATOM 9 CA SER A 2 -23.385 -4.859 13.826 1.00 0.00 C ATOM 10 C SER A 2 -23.821 -5.366 12.455 1.00 0.00 C ATOM 11 O SER A 2 -23.764 -4.638 11.465 1.00 0.00 O ATOM 12 CB SER A 2 -22.107 -5.577 14.265 1.00 0.00 C ATOM 13 OG SER A 2 -20.955 -4.920 13.765 1.00 0.00 O ATOM 0 H SER A 2 -24.593 -6.030 15.078 1.00 0.00 H new ATOM 0 HA SER A 2 -23.186 -3.790 13.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.064 -5.616 15.353 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.125 -6.607 13.910 1.00 0.00 H new ATOM 0 HG SER A 2 -20.152 -5.397 14.061 1.00 0.00 H new ATOM 19 N SER A 3 -24.257 -6.621 12.406 1.00 0.00 N ATOM 20 CA SER A 3 -24.700 -7.228 11.157 1.00 0.00 C ATOM 21 C SER A 3 -26.223 -7.216 11.057 1.00 0.00 C ATOM 22 O SER A 3 -26.910 -7.928 11.787 1.00 0.00 O ATOM 23 CB SER A 3 -24.182 -8.664 11.051 1.00 0.00 C ATOM 24 OG SER A 3 -22.784 -8.719 11.271 1.00 0.00 O ATOM 0 H SER A 3 -24.313 -7.237 13.217 1.00 0.00 H new ATOM 0 HA SER A 3 -24.294 -6.641 10.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.693 -9.293 11.780 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.414 -9.066 10.065 1.00 0.00 H new ATOM 0 HG SER A 3 -22.478 -9.647 11.200 1.00 0.00 H new ATOM 30 N GLY A 4 -26.743 -6.400 10.145 1.00 0.00 N ATOM 31 CA GLY A 4 -28.180 -6.309 9.965 1.00 0.00 C ATOM 32 C GLY A 4 -28.563 -5.904 8.555 1.00 0.00 C ATOM 33 O GLY A 4 -29.369 -4.994 8.361 1.00 0.00 O ATOM 0 H GLY A 4 -26.195 -5.801 9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.634 -7.272 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.586 -5.585 10.671 1.00 0.00 H new ATOM 37 N SER A 5 -27.984 -6.580 7.569 1.00 0.00 N ATOM 38 CA SER A 5 -28.265 -6.281 6.169 1.00 0.00 C ATOM 39 C SER A 5 -28.152 -4.784 5.900 1.00 0.00 C ATOM 40 O SER A 5 -28.983 -4.204 5.201 1.00 0.00 O ATOM 41 CB SER A 5 -29.663 -6.775 5.791 1.00 0.00 C ATOM 42 OG SER A 5 -29.625 -8.121 5.348 1.00 0.00 O ATOM 0 H SER A 5 -27.317 -7.339 7.713 1.00 0.00 H new ATOM 0 HA SER A 5 -27.527 -6.799 5.557 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.327 -6.690 6.651 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.076 -6.142 5.006 1.00 0.00 H new ATOM 0 HG SER A 5 -30.530 -8.414 5.114 1.00 0.00 H new ATOM 48 N SER A 6 -27.118 -4.164 6.460 1.00 0.00 N ATOM 49 CA SER A 6 -26.898 -2.734 6.284 1.00 0.00 C ATOM 50 C SER A 6 -25.648 -2.475 5.447 1.00 0.00 C ATOM 51 O SER A 6 -24.540 -2.390 5.976 1.00 0.00 O ATOM 52 CB SER A 6 -26.766 -2.046 7.644 1.00 0.00 C ATOM 53 OG SER A 6 -25.635 -2.526 8.351 1.00 0.00 O ATOM 0 H SER A 6 -26.420 -4.630 7.039 1.00 0.00 H new ATOM 0 HA SER A 6 -27.759 -2.321 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.680 -0.969 7.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -27.667 -2.220 8.232 1.00 0.00 H new ATOM 0 HG SER A 6 -24.888 -2.648 7.729 1.00 0.00 H new ATOM 59 N GLY A 7 -25.836 -2.352 4.137 1.00 0.00 N ATOM 60 CA GLY A 7 -24.717 -2.105 3.247 1.00 0.00 C ATOM 61 C GLY A 7 -23.705 -3.234 3.260 1.00 0.00 C ATOM 62 O GLY A 7 -23.484 -3.866 4.293 1.00 0.00 O ATOM 0 H GLY A 7 -26.743 -2.419 3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -25.088 -1.966 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.225 -1.177 3.536 1.00 0.00 H new ATOM 66 N SER A 8 -23.091 -3.490 2.109 1.00 0.00 N ATOM 67 CA SER A 8 -22.102 -4.554 1.991 1.00 0.00 C ATOM 68 C SER A 8 -20.714 -4.051 2.377 1.00 0.00 C ATOM 69 O SER A 8 -20.395 -2.876 2.196 1.00 0.00 O ATOM 70 CB SER A 8 -22.080 -5.102 0.563 1.00 0.00 C ATOM 71 OG SER A 8 -21.418 -6.354 0.507 1.00 0.00 O ATOM 0 H SER A 8 -23.261 -2.975 1.245 1.00 0.00 H new ATOM 0 HA SER A 8 -22.382 -5.355 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.101 -5.210 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.578 -4.392 -0.095 1.00 0.00 H new ATOM 0 HG SER A 8 -20.585 -6.261 -0.001 1.00 0.00 H new ATOM 77 N ASP A 9 -19.894 -4.950 2.910 1.00 0.00 N ATOM 78 CA ASP A 9 -18.539 -4.599 3.321 1.00 0.00 C ATOM 79 C ASP A 9 -17.532 -5.618 2.797 1.00 0.00 C ATOM 80 O ASP A 9 -17.188 -6.578 3.487 1.00 0.00 O ATOM 81 CB ASP A 9 -18.452 -4.515 4.846 1.00 0.00 C ATOM 82 CG ASP A 9 -19.193 -3.315 5.403 1.00 0.00 C ATOM 83 OD1 ASP A 9 -20.398 -3.173 5.109 1.00 0.00 O ATOM 84 OD2 ASP A 9 -18.567 -2.519 6.133 1.00 0.00 O ATOM 0 H ASP A 9 -20.143 -5.926 3.068 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.297 -3.624 2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.863 -5.426 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.405 -4.463 5.145 1.00 0.00 H new ATOM 89 N ASP A 10 -17.062 -5.402 1.573 1.00 0.00 N ATOM 90 CA ASP A 10 -16.094 -6.301 0.956 1.00 0.00 C ATOM 91 C ASP A 10 -14.688 -5.711 1.018 1.00 0.00 C ATOM 92 O ASP A 10 -13.697 -6.436 0.945 1.00 0.00 O ATOM 93 CB ASP A 10 -16.480 -6.581 -0.497 1.00 0.00 C ATOM 94 CG ASP A 10 -17.962 -6.853 -0.660 1.00 0.00 C ATOM 95 OD1 ASP A 10 -18.411 -7.950 -0.267 1.00 0.00 O ATOM 96 OD2 ASP A 10 -18.674 -5.968 -1.182 1.00 0.00 O ATOM 0 H ASP A 10 -17.336 -4.612 0.989 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.100 -7.239 1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.200 -5.728 -1.115 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.914 -7.438 -0.862 1.00 0.00 H new ATOM 101 N ALA A 11 -14.612 -4.391 1.151 1.00 0.00 N ATOM 102 CA ALA A 11 -13.329 -3.703 1.223 1.00 0.00 C ATOM 103 C ALA A 11 -12.497 -4.215 2.394 1.00 0.00 C ATOM 104 O ALA A 11 -11.268 -4.149 2.370 1.00 0.00 O ATOM 105 CB ALA A 11 -13.540 -2.201 1.339 1.00 0.00 C ATOM 0 H ALA A 11 -15.424 -3.777 1.211 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.781 -3.911 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.573 -1.701 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.087 -1.842 0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -14.111 -1.982 2.241 1.00 0.00 H new ATOM 111 N ARG A 12 -13.175 -4.724 3.417 1.00 0.00 N ATOM 112 CA ARG A 12 -12.498 -5.244 4.599 1.00 0.00 C ATOM 113 C ARG A 12 -11.597 -6.421 4.235 1.00 0.00 C ATOM 114 O ARG A 12 -10.654 -6.741 4.959 1.00 0.00 O ATOM 115 CB ARG A 12 -13.521 -5.678 5.650 1.00 0.00 C ATOM 116 CG ARG A 12 -14.544 -6.675 5.129 1.00 0.00 C ATOM 117 CD ARG A 12 -15.115 -7.525 6.253 1.00 0.00 C ATOM 118 NE ARG A 12 -16.478 -7.967 5.966 1.00 0.00 N ATOM 119 CZ ARG A 12 -17.244 -8.604 6.845 1.00 0.00 C ATOM 120 NH1 ARG A 12 -16.783 -8.872 8.059 1.00 0.00 N ATOM 121 NH2 ARG A 12 -18.473 -8.973 6.510 1.00 0.00 N ATOM 0 H ARG A 12 -14.192 -4.787 3.451 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.879 -4.448 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.995 -6.119 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -14.042 -4.796 6.023 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -15.352 -6.141 4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.078 -7.320 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.477 -8.395 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.107 -6.953 7.181 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.862 -7.776 5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -15.838 -8.589 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -17.373 -9.361 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.831 -8.768 5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.061 -9.462 7.185 1.00 0.00 H new ATOM 135 N ARG A 13 -11.894 -7.061 3.109 1.00 0.00 N ATOM 136 CA ARG A 13 -11.113 -8.203 2.650 1.00 0.00 C ATOM 137 C ARG A 13 -9.812 -7.744 1.997 1.00 0.00 C ATOM 138 O ARG A 13 -8.861 -8.518 1.872 1.00 0.00 O ATOM 139 CB ARG A 13 -11.925 -9.040 1.660 1.00 0.00 C ATOM 140 CG ARG A 13 -13.289 -9.453 2.188 1.00 0.00 C ATOM 141 CD ARG A 13 -14.248 -9.783 1.055 1.00 0.00 C ATOM 142 NE ARG A 13 -15.427 -10.504 1.527 1.00 0.00 N ATOM 143 CZ ARG A 13 -15.395 -11.760 1.959 1.00 0.00 C ATOM 144 NH1 ARG A 13 -14.251 -12.430 1.978 1.00 0.00 N ATOM 145 NH2 ARG A 13 -16.510 -12.349 2.374 1.00 0.00 N ATOM 0 H ARG A 13 -12.670 -6.808 2.498 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.868 -8.816 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.058 -8.471 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.358 -9.935 1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.181 -10.320 2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.704 -8.649 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.560 -8.861 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.731 -10.384 0.307 1.00 0.00 H new ATOM 0 HE ARG A 13 -16.323 -10.017 1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.392 -11.981 1.660 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.230 -13.394 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -17.392 -11.837 2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.484 -13.313 2.705 1.00 0.00 H new ATOM 159 N LEU A 14 -9.777 -6.483 1.583 1.00 0.00 N ATOM 160 CA LEU A 14 -8.593 -5.920 0.942 1.00 0.00 C ATOM 161 C LEU A 14 -7.415 -5.886 1.910 1.00 0.00 C ATOM 162 O LEU A 14 -7.516 -5.343 3.011 1.00 0.00 O ATOM 163 CB LEU A 14 -8.888 -4.510 0.430 1.00 0.00 C ATOM 164 CG LEU A 14 -10.069 -4.379 -0.533 1.00 0.00 C ATOM 165 CD1 LEU A 14 -10.310 -2.920 -0.886 1.00 0.00 C ATOM 166 CD2 LEU A 14 -9.827 -5.201 -1.790 1.00 0.00 C ATOM 0 H LEU A 14 -10.555 -5.830 1.679 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.328 -6.558 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.072 -3.864 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.995 -4.132 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.961 -4.764 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.154 -2.846 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.530 -2.358 0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.419 -2.509 -1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.678 -5.095 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.924 -4.847 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.705 -6.250 -1.521 1.00 0.00 H new ATOM 178 N THR A 15 -6.295 -6.467 1.492 1.00 0.00 N ATOM 179 CA THR A 15 -5.096 -6.502 2.321 1.00 0.00 C ATOM 180 C THR A 15 -3.837 -6.365 1.473 1.00 0.00 C ATOM 181 O THR A 15 -3.880 -6.510 0.251 1.00 0.00 O ATOM 182 CB THR A 15 -5.014 -7.807 3.135 1.00 0.00 C ATOM 183 OG1 THR A 15 -3.808 -7.828 3.907 1.00 0.00 O ATOM 184 CG2 THR A 15 -5.054 -9.020 2.217 1.00 0.00 C ATOM 0 H THR A 15 -6.193 -6.920 0.584 1.00 0.00 H new ATOM 0 HA THR A 15 -5.162 -5.658 3.007 1.00 0.00 H new ATOM 0 HB THR A 15 -5.874 -7.847 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.764 -8.660 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.995 -9.930 2.814 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.985 -9.017 1.651 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.210 -8.983 1.528 1.00 0.00 H new ATOM 192 N VAL A 16 -2.715 -6.084 2.129 1.00 0.00 N ATOM 193 CA VAL A 16 -1.442 -5.929 1.434 1.00 0.00 C ATOM 194 C VAL A 16 -0.354 -6.773 2.087 1.00 0.00 C ATOM 195 O VAL A 16 -0.092 -6.653 3.284 1.00 0.00 O ATOM 196 CB VAL A 16 -0.991 -4.456 1.413 1.00 0.00 C ATOM 197 CG1 VAL A 16 0.022 -4.224 0.302 1.00 0.00 C ATOM 198 CG2 VAL A 16 -2.190 -3.534 1.253 1.00 0.00 C ATOM 0 H VAL A 16 -2.662 -5.959 3.140 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.596 -6.269 0.410 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.510 -4.228 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.329 -3.178 0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.893 -4.858 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.430 -4.469 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.853 -2.498 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.701 -3.761 0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.877 -3.682 2.087 1.00 0.00 H new ATOM 208 N THR A 17 0.280 -7.630 1.292 1.00 0.00 N ATOM 209 CA THR A 17 1.340 -8.495 1.792 1.00 0.00 C ATOM 210 C THR A 17 2.704 -8.049 1.276 1.00 0.00 C ATOM 211 O THR A 17 3.547 -7.585 2.043 1.00 0.00 O ATOM 212 CB THR A 17 1.106 -9.963 1.385 1.00 0.00 C ATOM 213 OG1 THR A 17 -0.255 -10.330 1.638 1.00 0.00 O ATOM 214 CG2 THR A 17 2.037 -10.891 2.150 1.00 0.00 C ATOM 0 H THR A 17 0.077 -7.743 0.299 1.00 0.00 H new ATOM 0 HA THR A 17 1.323 -8.419 2.879 1.00 0.00 H new ATOM 0 HB THR A 17 1.316 -10.060 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.396 -11.263 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.854 -11.922 1.846 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.072 -10.627 1.933 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.853 -10.790 3.220 1.00 0.00 H new ATOM 222 N SER A 18 2.913 -8.192 -0.029 1.00 0.00 N ATOM 223 CA SER A 18 4.176 -7.806 -0.647 1.00 0.00 C ATOM 224 C SER A 18 4.761 -6.573 0.036 1.00 0.00 C ATOM 225 O SER A 18 5.956 -6.518 0.327 1.00 0.00 O ATOM 226 CB SER A 18 3.976 -7.530 -2.138 1.00 0.00 C ATOM 227 OG SER A 18 3.791 -8.735 -2.860 1.00 0.00 O ATOM 0 H SER A 18 2.224 -8.572 -0.678 1.00 0.00 H new ATOM 0 HA SER A 18 4.877 -8.632 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.111 -6.882 -2.278 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.841 -6.996 -2.531 1.00 0.00 H new ATOM 0 HG SER A 18 3.664 -8.531 -3.810 1.00 0.00 H new ATOM 233 N LEU A 19 3.909 -5.585 0.289 1.00 0.00 N ATOM 234 CA LEU A 19 4.339 -4.351 0.938 1.00 0.00 C ATOM 235 C LEU A 19 5.403 -4.634 1.994 1.00 0.00 C ATOM 236 O LEU A 19 5.464 -5.731 2.548 1.00 0.00 O ATOM 237 CB LEU A 19 3.143 -3.645 1.578 1.00 0.00 C ATOM 238 CG LEU A 19 3.462 -2.389 2.391 1.00 0.00 C ATOM 239 CD1 LEU A 19 3.911 -1.261 1.476 1.00 0.00 C ATOM 240 CD2 LEU A 19 2.252 -1.964 3.210 1.00 0.00 C ATOM 0 H LEU A 19 2.917 -5.614 0.055 1.00 0.00 H new ATOM 0 HA LEU A 19 4.772 -3.701 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.441 -3.375 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.633 -4.355 2.229 1.00 0.00 H new ATOM 0 HG LEU A 19 4.278 -2.620 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.134 -0.376 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.805 -1.567 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.117 -1.030 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.496 -1.069 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.417 -1.751 2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.975 -2.767 3.893 1.00 0.00 H new ATOM 252 N GLN A 20 6.236 -3.636 2.269 1.00 0.00 N ATOM 253 CA GLN A 20 7.296 -3.777 3.260 1.00 0.00 C ATOM 254 C GLN A 20 7.238 -2.648 4.284 1.00 0.00 C ATOM 255 O GLN A 20 7.846 -1.595 4.095 1.00 0.00 O ATOM 256 CB GLN A 20 8.664 -3.792 2.577 1.00 0.00 C ATOM 257 CG GLN A 20 9.782 -4.315 3.464 1.00 0.00 C ATOM 258 CD GLN A 20 11.057 -4.594 2.693 1.00 0.00 C ATOM 259 OE1 GLN A 20 11.902 -3.713 2.527 1.00 0.00 O ATOM 260 NE2 GLN A 20 11.204 -5.825 2.217 1.00 0.00 N ATOM 0 H GLN A 20 6.197 -2.721 1.820 1.00 0.00 H new ATOM 0 HA GLN A 20 7.148 -4.723 3.781 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.606 -4.408 1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.911 -2.780 2.254 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.988 -3.587 4.249 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.452 -5.230 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.479 -6.524 2.378 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.042 -6.072 1.691 1.00 0.00 H new ATOM 269 N GLU A 21 6.503 -2.876 5.368 1.00 0.00 N ATOM 270 CA GLU A 21 6.365 -1.876 6.421 1.00 0.00 C ATOM 271 C GLU A 21 7.726 -1.307 6.811 1.00 0.00 C ATOM 272 O GLU A 21 7.885 -0.095 6.961 1.00 0.00 O ATOM 273 CB GLU A 21 5.684 -2.486 7.648 1.00 0.00 C ATOM 274 CG GLU A 21 4.286 -3.012 7.369 1.00 0.00 C ATOM 275 CD GLU A 21 3.795 -3.961 8.445 1.00 0.00 C ATOM 276 OE1 GLU A 21 4.033 -3.679 9.638 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.172 -4.985 8.094 1.00 0.00 O ATOM 0 H GLU A 21 5.994 -3.743 5.540 1.00 0.00 H new ATOM 0 HA GLU A 21 5.747 -1.064 6.038 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.301 -3.301 8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.630 -1.734 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.595 -2.173 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.280 -3.525 6.407 1.00 0.00 H new ATOM 284 N THR A 22 8.706 -2.190 6.975 1.00 0.00 N ATOM 285 CA THR A 22 10.052 -1.777 7.350 1.00 0.00 C ATOM 286 C THR A 22 11.101 -2.482 6.498 1.00 0.00 C ATOM 287 O THR A 22 11.235 -3.704 6.545 1.00 0.00 O ATOM 288 CB THR A 22 10.336 -2.067 8.836 1.00 0.00 C ATOM 289 OG1 THR A 22 9.848 -3.368 9.183 1.00 0.00 O ATOM 290 CG2 THR A 22 9.681 -1.021 9.726 1.00 0.00 C ATOM 0 H THR A 22 8.592 -3.196 6.854 1.00 0.00 H new ATOM 0 HA THR A 22 10.111 -0.702 7.179 1.00 0.00 H new ATOM 0 HB THR A 22 11.414 -2.030 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.091 -4.007 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.895 -1.246 10.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.075 -0.035 9.479 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.603 -1.031 9.566 1.00 0.00 H new ATOM 298 N GLY A 23 11.844 -1.703 5.717 1.00 0.00 N ATOM 299 CA GLY A 23 12.872 -2.271 4.865 1.00 0.00 C ATOM 300 C GLY A 23 13.111 -1.446 3.616 1.00 0.00 C ATOM 301 O GLY A 23 14.178 -1.525 3.005 1.00 0.00 O ATOM 0 H GLY A 23 11.752 -0.689 5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.802 -2.351 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 23 12.584 -3.283 4.579 1.00 0.00 H new ATOM 305 N LEU A 24 12.115 -0.654 3.233 1.00 0.00 N ATOM 306 CA LEU A 24 12.221 0.188 2.046 1.00 0.00 C ATOM 307 C LEU A 24 13.175 1.353 2.289 1.00 0.00 C ATOM 308 O LEU A 24 13.158 1.973 3.352 1.00 0.00 O ATOM 309 CB LEU A 24 10.842 0.716 1.647 1.00 0.00 C ATOM 310 CG LEU A 24 9.751 -0.336 1.450 1.00 0.00 C ATOM 311 CD1 LEU A 24 8.425 0.326 1.111 1.00 0.00 C ATOM 312 CD2 LEU A 24 10.151 -1.321 0.361 1.00 0.00 C ATOM 0 H LEU A 24 11.226 -0.577 3.727 1.00 0.00 H new ATOM 0 HA LEU A 24 12.619 -0.419 1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.508 1.417 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.946 1.281 0.720 1.00 0.00 H new ATOM 0 HG LEU A 24 9.630 -0.886 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.661 -0.439 0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.132 0.991 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.530 0.902 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.363 -2.063 0.234 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.300 -0.786 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 24 11.077 -1.821 0.645 1.00 0.00 H new ATOM 324 N LYS A 25 14.005 1.648 1.294 1.00 0.00 N ATOM 325 CA LYS A 25 14.964 2.742 1.396 1.00 0.00 C ATOM 326 C LYS A 25 14.515 3.939 0.565 1.00 0.00 C ATOM 327 O LYS A 25 13.517 3.870 -0.153 1.00 0.00 O ATOM 328 CB LYS A 25 16.348 2.278 0.936 1.00 0.00 C ATOM 329 CG LYS A 25 16.953 1.201 1.820 1.00 0.00 C ATOM 330 CD LYS A 25 18.392 0.906 1.432 1.00 0.00 C ATOM 331 CE LYS A 25 18.794 -0.510 1.817 1.00 0.00 C ATOM 332 NZ LYS A 25 18.150 -1.527 0.941 1.00 0.00 N ATOM 0 H LYS A 25 14.033 1.144 0.407 1.00 0.00 H new ATOM 0 HA LYS A 25 15.018 3.048 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.275 1.901 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 17.020 3.136 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.914 1.519 2.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.360 0.290 1.743 1.00 0.00 H new ATOM 0 HD2 LYS A 25 18.515 1.041 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 25 19.055 1.619 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.878 -0.610 1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.517 -0.697 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.652 -2.433 1.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.157 -1.651 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.190 -1.209 -0.048 1.00 0.00 H new ATOM 346 N VAL A 26 15.259 5.036 0.665 1.00 0.00 N ATOM 347 CA VAL A 26 14.938 6.248 -0.080 1.00 0.00 C ATOM 348 C VAL A 26 15.265 6.085 -1.561 1.00 0.00 C ATOM 349 O VAL A 26 16.239 5.427 -1.923 1.00 0.00 O ATOM 350 CB VAL A 26 15.703 7.465 0.472 1.00 0.00 C ATOM 351 CG1 VAL A 26 17.179 7.376 0.114 1.00 0.00 C ATOM 352 CG2 VAL A 26 15.096 8.758 -0.052 1.00 0.00 C ATOM 0 H VAL A 26 16.088 5.110 1.255 1.00 0.00 H new ATOM 0 HA VAL A 26 13.868 6.418 0.037 1.00 0.00 H new ATOM 0 HB VAL A 26 15.617 7.464 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 26 17.703 8.245 0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.603 6.468 0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 26 17.290 7.351 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 15.649 9.608 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 26 15.150 8.770 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.054 8.824 0.261 1.00 0.00 H new ATOM 362 N ASN A 27 14.443 6.690 -2.412 1.00 0.00 N ATOM 363 CA ASN A 27 14.644 6.612 -3.854 1.00 0.00 C ATOM 364 C ASN A 27 14.642 5.161 -4.326 1.00 0.00 C ATOM 365 O ASN A 27 15.536 4.737 -5.059 1.00 0.00 O ATOM 366 CB ASN A 27 15.961 7.286 -4.244 1.00 0.00 C ATOM 367 CG ASN A 27 15.801 8.774 -4.483 1.00 0.00 C ATOM 368 OD1 ASN A 27 15.396 9.200 -5.565 1.00 0.00 O ATOM 369 ND2 ASN A 27 16.118 9.574 -3.472 1.00 0.00 N ATOM 0 H ASN A 27 13.632 7.239 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 27 13.819 7.134 -4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.696 7.125 -3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.353 6.816 -5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 27 16.030 10.585 -3.575 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.450 9.178 -2.593 1.00 0.00 H new ATOM 376 N GLN A 28 13.633 4.408 -3.902 1.00 0.00 N ATOM 377 CA GLN A 28 13.516 3.005 -4.281 1.00 0.00 C ATOM 378 C GLN A 28 12.114 2.695 -4.794 1.00 0.00 C ATOM 379 O GLN A 28 11.109 3.011 -4.156 1.00 0.00 O ATOM 380 CB GLN A 28 13.848 2.103 -3.091 1.00 0.00 C ATOM 381 CG GLN A 28 15.325 1.763 -2.979 1.00 0.00 C ATOM 382 CD GLN A 28 15.821 0.923 -4.140 1.00 0.00 C ATOM 383 OE1 GLN A 28 16.093 1.441 -5.223 1.00 0.00 O ATOM 384 NE2 GLN A 28 15.941 -0.381 -3.919 1.00 0.00 N ATOM 0 H GLN A 28 12.885 4.745 -3.296 1.00 0.00 H new ATOM 0 HA GLN A 28 14.228 2.811 -5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.526 2.594 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.276 1.179 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.903 2.686 -2.930 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.501 1.227 -2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 28 15.704 -0.767 -3.005 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.270 -0.996 -4.663 1.00 0.00 H new ATOM 393 N PRO A 29 12.041 2.061 -5.974 1.00 0.00 N ATOM 394 CA PRO A 29 10.766 1.694 -6.598 1.00 0.00 C ATOM 395 C PRO A 29 10.051 0.578 -5.844 1.00 0.00 C ATOM 396 O PRO A 29 10.129 -0.590 -6.224 1.00 0.00 O ATOM 397 CB PRO A 29 11.178 1.218 -7.993 1.00 0.00 C ATOM 398 CG PRO A 29 12.588 0.763 -7.837 1.00 0.00 C ATOM 399 CD PRO A 29 13.197 1.654 -6.789 1.00 0.00 C ATOM 0 HA PRO A 29 10.062 2.526 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.537 0.408 -8.340 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.100 2.022 -8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.629 -0.283 -7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.130 0.842 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.941 1.124 -6.194 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.698 2.514 -7.234 1.00 0.00 H new ATOM 407 N ALA A 30 9.355 0.946 -4.773 1.00 0.00 N ATOM 408 CA ALA A 30 8.624 -0.025 -3.968 1.00 0.00 C ATOM 409 C ALA A 30 7.240 -0.291 -4.551 1.00 0.00 C ATOM 410 O ALA A 30 6.502 0.640 -4.874 1.00 0.00 O ATOM 411 CB ALA A 30 8.509 0.462 -2.531 1.00 0.00 C ATOM 0 H ALA A 30 9.282 1.908 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 30 9.180 -0.962 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.961 -0.272 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.506 0.594 -2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.978 1.413 -2.511 1.00 0.00 H new ATOM 417 N SER A 31 6.895 -1.568 -4.683 1.00 0.00 N ATOM 418 CA SER A 31 5.601 -1.957 -5.231 1.00 0.00 C ATOM 419 C SER A 31 5.093 -3.235 -4.571 1.00 0.00 C ATOM 420 O SER A 31 5.878 -4.088 -4.157 1.00 0.00 O ATOM 421 CB SER A 31 5.704 -2.157 -6.745 1.00 0.00 C ATOM 422 OG SER A 31 6.842 -2.932 -7.080 1.00 0.00 O ATOM 0 H SER A 31 7.493 -2.350 -4.418 1.00 0.00 H new ATOM 0 HA SER A 31 4.891 -1.156 -5.025 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.804 -2.650 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.761 -1.188 -7.240 1.00 0.00 H new ATOM 0 HG SER A 31 6.885 -3.047 -8.052 1.00 0.00 H new ATOM 428 N PHE A 32 3.773 -3.361 -4.476 1.00 0.00 N ATOM 429 CA PHE A 32 3.159 -4.534 -3.866 1.00 0.00 C ATOM 430 C PHE A 32 1.821 -4.853 -4.527 1.00 0.00 C ATOM 431 O PHE A 32 1.329 -4.089 -5.357 1.00 0.00 O ATOM 432 CB PHE A 32 2.959 -4.308 -2.366 1.00 0.00 C ATOM 433 CG PHE A 32 2.661 -2.880 -2.008 1.00 0.00 C ATOM 434 CD1 PHE A 32 3.689 -1.967 -1.836 1.00 0.00 C ATOM 435 CD2 PHE A 32 1.354 -2.451 -1.846 1.00 0.00 C ATOM 436 CE1 PHE A 32 3.418 -0.653 -1.506 1.00 0.00 C ATOM 437 CE2 PHE A 32 1.077 -1.137 -1.516 1.00 0.00 C ATOM 438 CZ PHE A 32 2.110 -0.237 -1.348 1.00 0.00 C ATOM 0 H PHE A 32 3.108 -2.665 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 32 3.828 -5.382 -4.013 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.142 -4.939 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.856 -4.627 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.713 -2.286 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.542 -3.151 -1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.228 0.048 -1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.054 -0.815 -1.390 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.896 0.791 -1.093 1.00 0.00 H new ATOM 448 N ALA A 33 1.238 -5.986 -4.151 1.00 0.00 N ATOM 449 CA ALA A 33 -0.043 -6.407 -4.705 1.00 0.00 C ATOM 450 C ALA A 33 -1.117 -6.464 -3.624 1.00 0.00 C ATOM 451 O ALA A 33 -0.876 -6.956 -2.521 1.00 0.00 O ATOM 452 CB ALA A 33 0.095 -7.760 -5.387 1.00 0.00 C ATOM 0 H ALA A 33 1.632 -6.629 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.350 -5.669 -5.446 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.869 -8.061 -5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.825 -7.688 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.429 -8.501 -4.661 1.00 0.00 H new ATOM 458 N VAL A 34 -2.303 -5.958 -3.946 1.00 0.00 N ATOM 459 CA VAL A 34 -3.414 -5.952 -3.002 1.00 0.00 C ATOM 460 C VAL A 34 -4.414 -7.057 -3.323 1.00 0.00 C ATOM 461 O VAL A 34 -5.175 -6.958 -4.285 1.00 0.00 O ATOM 462 CB VAL A 34 -4.145 -4.596 -3.004 1.00 0.00 C ATOM 463 CG1 VAL A 34 -5.159 -4.535 -1.871 1.00 0.00 C ATOM 464 CG2 VAL A 34 -3.147 -3.453 -2.900 1.00 0.00 C ATOM 0 H VAL A 34 -2.519 -5.547 -4.854 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.990 -6.126 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.683 -4.493 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.666 -3.570 -1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.892 -5.332 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.647 -4.659 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.681 -2.503 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.580 -3.548 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.464 -3.488 -3.749 1.00 0.00 H new ATOM 474 N GLN A 35 -4.406 -8.109 -2.511 1.00 0.00 N ATOM 475 CA GLN A 35 -5.312 -9.233 -2.709 1.00 0.00 C ATOM 476 C GLN A 35 -6.725 -8.880 -2.256 1.00 0.00 C ATOM 477 O GLN A 35 -6.992 -8.751 -1.061 1.00 0.00 O ATOM 478 CB GLN A 35 -4.812 -10.461 -1.945 1.00 0.00 C ATOM 479 CG GLN A 35 -5.162 -11.779 -2.616 1.00 0.00 C ATOM 480 CD GLN A 35 -6.493 -12.335 -2.149 1.00 0.00 C ATOM 481 OE1 GLN A 35 -7.475 -12.331 -2.892 1.00 0.00 O ATOM 482 NE2 GLN A 35 -6.533 -12.818 -0.913 1.00 0.00 N ATOM 0 H GLN A 35 -3.782 -8.206 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.337 -9.462 -3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.730 -10.395 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.235 -10.451 -0.940 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.191 -11.636 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.377 -12.507 -2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.695 -12.801 -0.332 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.402 -13.206 -0.545 1.00 0.00 H new ATOM 491 N LEU A 36 -7.628 -8.723 -3.219 1.00 0.00 N ATOM 492 CA LEU A 36 -9.014 -8.384 -2.919 1.00 0.00 C ATOM 493 C LEU A 36 -9.617 -9.378 -1.932 1.00 0.00 C ATOM 494 O LEU A 36 -10.520 -9.039 -1.168 1.00 0.00 O ATOM 495 CB LEU A 36 -9.843 -8.359 -4.205 1.00 0.00 C ATOM 496 CG LEU A 36 -9.213 -7.635 -5.396 1.00 0.00 C ATOM 497 CD1 LEU A 36 -10.123 -7.714 -6.611 1.00 0.00 C ATOM 498 CD2 LEU A 36 -8.915 -6.185 -5.042 1.00 0.00 C ATOM 0 H LEU A 36 -7.424 -8.825 -4.213 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.029 -7.394 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.051 -9.388 -4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.802 -7.890 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.272 -8.128 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.658 -7.193 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.284 -8.759 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.080 -7.247 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.467 -5.685 -5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.841 -5.679 -4.770 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.223 -6.151 -4.201 1.00 0.00 H new ATOM 510 N ASN A 37 -9.110 -10.606 -1.952 1.00 0.00 N ATOM 511 CA ASN A 37 -9.598 -11.650 -1.058 1.00 0.00 C ATOM 512 C ASN A 37 -11.079 -11.925 -1.299 1.00 0.00 C ATOM 513 O ASN A 37 -11.788 -12.388 -0.407 1.00 0.00 O ATOM 514 CB ASN A 37 -9.374 -11.245 0.401 1.00 0.00 C ATOM 515 CG ASN A 37 -7.979 -11.589 0.889 1.00 0.00 C ATOM 516 OD1 ASN A 37 -7.731 -12.697 1.363 1.00 0.00 O ATOM 517 ND2 ASN A 37 -7.061 -10.636 0.774 1.00 0.00 N ATOM 0 H ASN A 37 -8.361 -10.903 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.039 -12.563 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.539 -10.173 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.110 -11.745 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.105 -10.809 1.085 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.312 -9.732 0.375 1.00 0.00 H new ATOM 524 N GLY A 38 -11.539 -11.637 -2.513 1.00 0.00 N ATOM 525 CA GLY A 38 -12.932 -11.860 -2.850 1.00 0.00 C ATOM 526 C GLY A 38 -13.587 -10.634 -3.454 1.00 0.00 C ATOM 527 O GLY A 38 -14.477 -10.748 -4.296 1.00 0.00 O ATOM 0 H GLY A 38 -10.971 -11.253 -3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.004 -12.690 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.477 -12.154 -1.953 1.00 0.00 H new ATOM 531 N ALA A 39 -13.146 -9.457 -3.022 1.00 0.00 N ATOM 532 CA ALA A 39 -13.694 -8.204 -3.526 1.00 0.00 C ATOM 533 C ALA A 39 -13.492 -8.082 -5.033 1.00 0.00 C ATOM 534 O ALA A 39 -12.736 -8.848 -5.630 1.00 0.00 O ATOM 535 CB ALA A 39 -13.057 -7.023 -2.809 1.00 0.00 C ATOM 0 H ALA A 39 -12.411 -9.345 -2.324 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.766 -8.200 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.476 -6.094 -3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.258 -7.095 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.980 -7.033 -2.977 1.00 0.00 H new ATOM 541 N ARG A 40 -14.173 -7.116 -5.641 1.00 0.00 N ATOM 542 CA ARG A 40 -14.069 -6.897 -7.078 1.00 0.00 C ATOM 543 C ARG A 40 -14.496 -5.478 -7.444 1.00 0.00 C ATOM 544 O ARG A 40 -15.682 -5.153 -7.429 1.00 0.00 O ATOM 545 CB ARG A 40 -14.929 -7.911 -7.834 1.00 0.00 C ATOM 546 CG ARG A 40 -14.972 -7.674 -9.335 1.00 0.00 C ATOM 547 CD ARG A 40 -13.799 -8.338 -10.038 1.00 0.00 C ATOM 548 NE ARG A 40 -14.053 -9.750 -10.313 1.00 0.00 N ATOM 549 CZ ARG A 40 -13.373 -10.458 -11.207 1.00 0.00 C ATOM 550 NH1 ARG A 40 -12.401 -9.890 -11.907 1.00 0.00 N ATOM 551 NH2 ARG A 40 -13.663 -11.738 -11.401 1.00 0.00 N ATOM 0 H ARG A 40 -14.802 -6.473 -5.161 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.026 -7.030 -7.366 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.545 -8.913 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.945 -7.878 -7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.907 -8.062 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.959 -6.603 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -13.596 -7.817 -10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.906 -8.244 -9.420 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.793 -10.218 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.174 -8.907 -11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.880 -10.436 -12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.409 -12.179 -10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.140 -12.281 -12.088 1.00 0.00 H new ATOM 565 N GLY A 41 -13.519 -4.637 -7.771 1.00 0.00 N ATOM 566 CA GLY A 41 -13.814 -3.264 -8.135 1.00 0.00 C ATOM 567 C GLY A 41 -12.578 -2.502 -8.571 1.00 0.00 C ATOM 568 O GLY A 41 -11.687 -3.062 -9.210 1.00 0.00 O ATOM 0 H GLY A 41 -12.529 -4.882 -7.790 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -14.547 -3.255 -8.942 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -14.270 -2.756 -7.285 1.00 0.00 H new ATOM 572 N VAL A 42 -12.524 -1.219 -8.227 1.00 0.00 N ATOM 573 CA VAL A 42 -11.388 -0.378 -8.588 1.00 0.00 C ATOM 574 C VAL A 42 -10.610 0.054 -7.351 1.00 0.00 C ATOM 575 O VAL A 42 -11.179 0.605 -6.408 1.00 0.00 O ATOM 576 CB VAL A 42 -11.841 0.875 -9.360 1.00 0.00 C ATOM 577 CG1 VAL A 42 -10.638 1.631 -9.903 1.00 0.00 C ATOM 578 CG2 VAL A 42 -12.793 0.493 -10.484 1.00 0.00 C ATOM 0 H VAL A 42 -13.253 -0.739 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.741 -0.977 -9.229 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.373 1.532 -8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.977 2.513 -10.446 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.997 1.938 -9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.076 0.985 -10.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.103 1.391 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -12.289 -0.184 -11.173 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.670 -0.001 -10.066 1.00 0.00 H new ATOM 588 N ILE A 43 -9.305 -0.198 -7.361 1.00 0.00 N ATOM 589 CA ILE A 43 -8.448 0.166 -6.240 1.00 0.00 C ATOM 590 C ILE A 43 -7.726 1.483 -6.506 1.00 0.00 C ATOM 591 O ILE A 43 -7.236 1.722 -7.610 1.00 0.00 O ATOM 592 CB ILE A 43 -7.405 -0.929 -5.949 1.00 0.00 C ATOM 593 CG1 ILE A 43 -8.099 -2.223 -5.518 1.00 0.00 C ATOM 594 CG2 ILE A 43 -6.431 -0.462 -4.877 1.00 0.00 C ATOM 595 CD1 ILE A 43 -8.522 -2.226 -4.065 1.00 0.00 C ATOM 0 H ILE A 43 -8.818 -0.653 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 43 -9.096 0.278 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.843 -1.126 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.977 -2.381 -6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.427 -3.063 -5.694 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.700 -1.247 -4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.917 0.436 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.978 -0.240 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.007 -3.173 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.645 -2.100 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.219 -1.407 -3.887 1.00 0.00 H new ATOM 607 N ASP A 44 -7.661 2.332 -5.487 1.00 0.00 N ATOM 608 CA ASP A 44 -6.996 3.624 -5.609 1.00 0.00 C ATOM 609 C ASP A 44 -5.796 3.708 -4.671 1.00 0.00 C ATOM 610 O ASP A 44 -5.832 3.194 -3.553 1.00 0.00 O ATOM 611 CB ASP A 44 -7.976 4.758 -5.306 1.00 0.00 C ATOM 612 CG ASP A 44 -7.567 6.066 -5.953 1.00 0.00 C ATOM 613 OD1 ASP A 44 -6.897 6.023 -7.007 1.00 0.00 O ATOM 614 OD2 ASP A 44 -7.917 7.133 -5.407 1.00 0.00 O ATOM 0 H ASP A 44 -8.061 2.149 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 44 -6.641 3.726 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.970 4.478 -5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.045 4.896 -4.227 1.00 0.00 H new ATOM 619 N ALA A 45 -4.733 4.359 -5.134 1.00 0.00 N ATOM 620 CA ALA A 45 -3.523 4.511 -4.336 1.00 0.00 C ATOM 621 C ALA A 45 -3.025 5.952 -4.363 1.00 0.00 C ATOM 622 O ALA A 45 -2.977 6.582 -5.419 1.00 0.00 O ATOM 623 CB ALA A 45 -2.440 3.566 -4.835 1.00 0.00 C ATOM 0 H ALA A 45 -4.686 4.789 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.764 4.257 -3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.542 3.690 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.791 2.537 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.210 3.793 -5.876 1.00 0.00 H new ATOM 629 N ARG A 46 -2.657 6.467 -3.194 1.00 0.00 N ATOM 630 CA ARG A 46 -2.164 7.835 -3.085 1.00 0.00 C ATOM 631 C ARG A 46 -1.255 7.990 -1.869 1.00 0.00 C ATOM 632 O ARG A 46 -1.672 7.751 -0.735 1.00 0.00 O ATOM 633 CB ARG A 46 -3.335 8.815 -2.987 1.00 0.00 C ATOM 634 CG ARG A 46 -4.042 9.054 -4.312 1.00 0.00 C ATOM 635 CD ARG A 46 -4.673 10.436 -4.365 1.00 0.00 C ATOM 636 NE ARG A 46 -5.798 10.489 -5.295 1.00 0.00 N ATOM 637 CZ ARG A 46 -6.476 11.598 -5.566 1.00 0.00 C ATOM 638 NH1 ARG A 46 -6.145 12.741 -4.982 1.00 0.00 N ATOM 639 NH2 ARG A 46 -7.488 11.565 -6.423 1.00 0.00 N ATOM 0 H ARG A 46 -2.691 5.958 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.585 8.059 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.056 8.435 -2.263 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.970 9.767 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.330 8.946 -5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.811 8.296 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.013 10.718 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.921 11.167 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.078 9.627 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.368 12.770 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.668 13.591 -5.192 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.746 10.687 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.008 12.417 -6.631 1.00 0.00 H new ATOM 653 N VAL A 47 -0.012 8.390 -2.113 1.00 0.00 N ATOM 654 CA VAL A 47 0.956 8.577 -1.039 1.00 0.00 C ATOM 655 C VAL A 47 1.011 10.034 -0.596 1.00 0.00 C ATOM 656 O VAL A 47 0.872 10.948 -1.410 1.00 0.00 O ATOM 657 CB VAL A 47 2.366 8.130 -1.470 1.00 0.00 C ATOM 658 CG1 VAL A 47 2.466 6.612 -1.478 1.00 0.00 C ATOM 659 CG2 VAL A 47 2.712 8.703 -2.836 1.00 0.00 C ATOM 0 H VAL A 47 0.349 8.591 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 47 0.626 7.959 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 47 3.087 8.513 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.469 6.315 -1.785 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.264 6.229 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.737 6.203 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.711 8.377 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.989 8.351 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.684 9.792 -2.792 1.00 0.00 H new ATOM 669 N HIS A 48 1.214 10.246 0.701 1.00 0.00 N ATOM 670 CA HIS A 48 1.287 11.594 1.253 1.00 0.00 C ATOM 671 C HIS A 48 2.684 11.883 1.795 1.00 0.00 C ATOM 672 O HIS A 48 3.136 11.248 2.749 1.00 0.00 O ATOM 673 CB HIS A 48 0.251 11.770 2.363 1.00 0.00 C ATOM 674 CG HIS A 48 -1.159 11.834 1.862 1.00 0.00 C ATOM 675 ND1 HIS A 48 -1.880 13.008 1.790 1.00 0.00 N ATOM 676 CD2 HIS A 48 -1.981 10.861 1.403 1.00 0.00 C ATOM 677 CE1 HIS A 48 -3.084 12.754 1.311 1.00 0.00 C ATOM 678 NE2 HIS A 48 -3.171 11.458 1.068 1.00 0.00 N ATOM 0 H HIS A 48 1.331 9.502 1.389 1.00 0.00 H new ATOM 0 HA HIS A 48 1.073 12.301 0.451 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.341 10.942 3.067 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.474 12.683 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.745 9.811 1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.865 13.482 1.146 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.989 10.979 0.692 1.00 0.00 H new ATOM 687 N THR A 49 3.365 12.845 1.180 1.00 0.00 N ATOM 688 CA THR A 49 4.710 13.218 1.599 1.00 0.00 C ATOM 689 C THR A 49 4.685 13.968 2.925 1.00 0.00 C ATOM 690 O THR A 49 3.721 14.658 3.258 1.00 0.00 O ATOM 691 CB THR A 49 5.406 14.093 0.539 1.00 0.00 C ATOM 692 OG1 THR A 49 4.634 15.273 0.295 1.00 0.00 O ATOM 693 CG2 THR A 49 5.592 13.324 -0.760 1.00 0.00 C ATOM 0 H THR A 49 3.006 13.380 0.389 1.00 0.00 H new ATOM 0 HA THR A 49 5.272 12.292 1.720 1.00 0.00 H new ATOM 0 HB THR A 49 6.388 14.374 0.919 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.819 15.035 -0.195 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.085 13.962 -1.493 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.205 12.442 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.619 13.016 -1.143 1.00 0.00 H new ATOM 701 N PRO A 50 5.770 13.834 3.702 1.00 0.00 N ATOM 702 CA PRO A 50 5.897 14.494 5.005 1.00 0.00 C ATOM 703 C PRO A 50 6.056 16.005 4.877 1.00 0.00 C ATOM 704 O PRO A 50 6.125 16.719 5.877 1.00 0.00 O ATOM 705 CB PRO A 50 7.165 13.871 5.596 1.00 0.00 C ATOM 706 CG PRO A 50 7.959 13.435 4.414 1.00 0.00 C ATOM 707 CD PRO A 50 6.957 13.028 3.369 1.00 0.00 C ATOM 0 HA PRO A 50 5.009 14.353 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.716 14.592 6.199 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.927 13.029 6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.595 14.243 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.615 12.603 4.670 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.317 13.240 2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.743 11.960 3.412 1.00 0.00 H new ATOM 715 N SER A 51 6.113 16.486 3.639 1.00 0.00 N ATOM 716 CA SER A 51 6.266 17.913 3.380 1.00 0.00 C ATOM 717 C SER A 51 4.907 18.599 3.292 1.00 0.00 C ATOM 718 O SER A 51 4.751 19.749 3.699 1.00 0.00 O ATOM 719 CB SER A 51 7.048 18.136 2.084 1.00 0.00 C ATOM 720 OG SER A 51 7.285 19.516 1.862 1.00 0.00 O ATOM 0 H SER A 51 6.056 15.909 2.800 1.00 0.00 H new ATOM 0 HA SER A 51 6.820 18.350 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.998 17.604 2.133 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.492 17.720 1.244 1.00 0.00 H new ATOM 0 HG SER A 51 7.788 19.632 1.029 1.00 0.00 H new ATOM 726 N GLY A 52 3.923 17.883 2.755 1.00 0.00 N ATOM 727 CA GLY A 52 2.589 18.437 2.622 1.00 0.00 C ATOM 728 C GLY A 52 2.124 18.492 1.180 1.00 0.00 C ATOM 729 O GLY A 52 1.245 19.280 0.834 1.00 0.00 O ATOM 0 H GLY A 52 4.027 16.929 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.890 17.836 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.573 19.442 3.044 1.00 0.00 H new ATOM 733 N ALA A 53 2.718 17.653 0.337 1.00 0.00 N ATOM 734 CA ALA A 53 2.360 17.609 -1.075 1.00 0.00 C ATOM 735 C ALA A 53 1.773 16.253 -1.450 1.00 0.00 C ATOM 736 O ALA A 53 2.413 15.217 -1.271 1.00 0.00 O ATOM 737 CB ALA A 53 3.575 17.918 -1.938 1.00 0.00 C ATOM 0 H ALA A 53 3.449 16.995 0.608 1.00 0.00 H new ATOM 0 HA ALA A 53 1.598 18.368 -1.255 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.293 17.882 -2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.949 18.913 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.355 17.181 -1.746 1.00 0.00 H new ATOM 743 N VAL A 54 0.550 16.266 -1.972 1.00 0.00 N ATOM 744 CA VAL A 54 -0.123 15.036 -2.373 1.00 0.00 C ATOM 745 C VAL A 54 0.476 14.476 -3.658 1.00 0.00 C ATOM 746 O VAL A 54 0.334 15.065 -4.729 1.00 0.00 O ATOM 747 CB VAL A 54 -1.632 15.265 -2.580 1.00 0.00 C ATOM 748 CG1 VAL A 54 -2.312 13.977 -3.020 1.00 0.00 C ATOM 749 CG2 VAL A 54 -2.268 15.805 -1.309 1.00 0.00 C ATOM 0 H VAL A 54 0.006 17.114 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 54 0.021 14.318 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.764 16.006 -3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.378 14.158 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.874 13.637 -3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.172 13.212 -2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.334 15.961 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.127 15.089 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.800 16.752 -1.042 1.00 0.00 H new ATOM 759 N GLU A 55 1.147 13.334 -3.543 1.00 0.00 N ATOM 760 CA GLU A 55 1.768 12.694 -4.696 1.00 0.00 C ATOM 761 C GLU A 55 0.830 11.664 -5.318 1.00 0.00 C ATOM 762 O GLU A 55 -0.220 11.349 -4.759 1.00 0.00 O ATOM 763 CB GLU A 55 3.082 12.022 -4.289 1.00 0.00 C ATOM 764 CG GLU A 55 4.278 12.958 -4.319 1.00 0.00 C ATOM 765 CD GLU A 55 4.544 13.521 -5.702 1.00 0.00 C ATOM 766 OE1 GLU A 55 4.423 12.760 -6.685 1.00 0.00 O ATOM 767 OE2 GLU A 55 4.873 14.722 -5.801 1.00 0.00 O ATOM 0 H GLU A 55 1.274 12.834 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 55 1.977 13.465 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.976 11.614 -3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.272 11.181 -4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.109 13.779 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.162 12.423 -3.972 1.00 0.00 H new ATOM 774 N GLU A 56 1.217 11.143 -6.479 1.00 0.00 N ATOM 775 CA GLU A 56 0.409 10.150 -7.177 1.00 0.00 C ATOM 776 C GLU A 56 1.144 8.816 -7.266 1.00 0.00 C ATOM 777 O GLU A 56 2.375 8.771 -7.252 1.00 0.00 O ATOM 778 CB GLU A 56 0.056 10.644 -8.581 1.00 0.00 C ATOM 779 CG GLU A 56 1.256 10.764 -9.505 1.00 0.00 C ATOM 780 CD GLU A 56 1.065 11.821 -10.576 1.00 0.00 C ATOM 781 OE1 GLU A 56 -0.007 11.832 -11.215 1.00 0.00 O ATOM 782 OE2 GLU A 56 1.990 12.637 -10.774 1.00 0.00 O ATOM 0 H GLU A 56 2.084 11.392 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.510 10.002 -6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.667 9.961 -9.026 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.430 11.616 -8.503 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.141 11.005 -8.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.442 9.801 -9.980 1.00 0.00 H new ATOM 789 N CYS A 57 0.381 7.732 -7.355 1.00 0.00 N ATOM 790 CA CYS A 57 0.959 6.396 -7.445 1.00 0.00 C ATOM 791 C CYS A 57 0.782 5.819 -8.846 1.00 0.00 C ATOM 792 O CYS A 57 0.124 6.419 -9.696 1.00 0.00 O ATOM 793 CB CYS A 57 0.315 5.469 -6.413 1.00 0.00 C ATOM 794 SG CYS A 57 0.640 5.935 -4.697 1.00 0.00 S ATOM 0 H CYS A 57 -0.639 7.752 -7.367 1.00 0.00 H new ATOM 0 HA CYS A 57 2.026 6.474 -7.237 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.763 5.454 -6.576 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.676 4.454 -6.577 1.00 0.00 H new ATOM 0 HG CYS A 57 1.578 5.177 -4.212 1.00 0.00 H new ATOM 800 N TYR A 58 1.374 4.653 -9.079 1.00 0.00 N ATOM 801 CA TYR A 58 1.284 3.997 -10.378 1.00 0.00 C ATOM 802 C TYR A 58 0.524 2.679 -10.272 1.00 0.00 C ATOM 803 O TYR A 58 1.091 1.649 -9.908 1.00 0.00 O ATOM 804 CB TYR A 58 2.684 3.747 -10.944 1.00 0.00 C ATOM 805 CG TYR A 58 2.694 3.455 -12.427 1.00 0.00 C ATOM 806 CD1 TYR A 58 2.536 2.158 -12.900 1.00 0.00 C ATOM 807 CD2 TYR A 58 2.862 4.475 -13.355 1.00 0.00 C ATOM 808 CE1 TYR A 58 2.545 1.886 -14.255 1.00 0.00 C ATOM 809 CE2 TYR A 58 2.871 4.213 -14.711 1.00 0.00 C ATOM 810 CZ TYR A 58 2.712 2.917 -15.156 1.00 0.00 C ATOM 811 OH TYR A 58 2.722 2.651 -16.506 1.00 0.00 O ATOM 0 H TYR A 58 1.921 4.143 -8.386 1.00 0.00 H new ATOM 0 HA TYR A 58 0.738 4.657 -11.053 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.307 4.620 -10.750 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.137 2.909 -10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.404 1.349 -12.197 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.988 5.491 -13.010 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.422 0.872 -14.606 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.002 5.018 -15.419 1.00 0.00 H new ATOM 0 HH TYR A 58 2.848 3.486 -17.003 1.00 0.00 H new ATOM 821 N VAL A 59 -0.765 2.720 -10.593 1.00 0.00 N ATOM 822 CA VAL A 59 -1.605 1.529 -10.536 1.00 0.00 C ATOM 823 C VAL A 59 -2.329 1.303 -11.859 1.00 0.00 C ATOM 824 O VAL A 59 -3.299 1.992 -12.173 1.00 0.00 O ATOM 825 CB VAL A 59 -2.646 1.630 -9.405 1.00 0.00 C ATOM 826 CG1 VAL A 59 -3.431 2.929 -9.516 1.00 0.00 C ATOM 827 CG2 VAL A 59 -3.580 0.429 -9.432 1.00 0.00 C ATOM 0 H VAL A 59 -1.251 3.565 -10.895 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.944 0.685 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.121 1.631 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.162 2.983 -8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.747 3.775 -9.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.947 2.961 -10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.309 0.517 -8.626 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.100 0.394 -10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.001 -0.485 -9.300 1.00 0.00 H new ATOM 837 N SER A 60 -1.849 0.333 -12.631 1.00 0.00 N ATOM 838 CA SER A 60 -2.448 0.017 -13.922 1.00 0.00 C ATOM 839 C SER A 60 -3.935 -0.288 -13.771 1.00 0.00 C ATOM 840 O SER A 60 -4.485 -0.221 -12.672 1.00 0.00 O ATOM 841 CB SER A 60 -1.733 -1.175 -14.562 1.00 0.00 C ATOM 842 OG SER A 60 -1.712 -2.287 -13.685 1.00 0.00 O ATOM 0 H SER A 60 -1.047 -0.247 -12.385 1.00 0.00 H new ATOM 0 HA SER A 60 -2.338 0.887 -14.569 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.235 -1.449 -15.490 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.713 -0.894 -14.823 1.00 0.00 H new ATOM 0 HG SER A 60 -1.251 -3.036 -14.118 1.00 0.00 H new ATOM 848 N GLU A 61 -4.580 -0.624 -14.885 1.00 0.00 N ATOM 849 CA GLU A 61 -6.004 -0.939 -14.877 1.00 0.00 C ATOM 850 C GLU A 61 -6.282 -2.181 -14.035 1.00 0.00 C ATOM 851 O GLU A 61 -5.357 -2.864 -13.592 1.00 0.00 O ATOM 852 CB GLU A 61 -6.509 -1.154 -16.305 1.00 0.00 C ATOM 853 CG GLU A 61 -6.362 0.070 -17.193 1.00 0.00 C ATOM 854 CD GLU A 61 -7.566 0.989 -17.125 1.00 0.00 C ATOM 855 OE1 GLU A 61 -8.704 0.476 -17.109 1.00 0.00 O ATOM 856 OE2 GLU A 61 -7.369 2.222 -17.088 1.00 0.00 O ATOM 0 H GLU A 61 -4.139 -0.685 -15.803 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.534 -0.096 -14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.964 -1.985 -16.753 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.559 -1.443 -16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.470 0.623 -16.898 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.212 -0.250 -18.224 1.00 0.00 H new ATOM 863 N LEU A 62 -7.560 -2.466 -13.817 1.00 0.00 N ATOM 864 CA LEU A 62 -7.962 -3.626 -13.027 1.00 0.00 C ATOM 865 C LEU A 62 -7.286 -4.894 -13.540 1.00 0.00 C ATOM 866 O LEU A 62 -7.483 -5.294 -14.687 1.00 0.00 O ATOM 867 CB LEU A 62 -9.482 -3.793 -13.067 1.00 0.00 C ATOM 868 CG LEU A 62 -10.019 -5.155 -12.626 1.00 0.00 C ATOM 869 CD1 LEU A 62 -10.242 -5.179 -11.122 1.00 0.00 C ATOM 870 CD2 LEU A 62 -11.308 -5.484 -13.363 1.00 0.00 C ATOM 0 H LEU A 62 -8.337 -1.911 -14.176 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.648 -3.460 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.929 -3.026 -12.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.822 -3.603 -14.085 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.278 -5.914 -12.875 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.624 -6.156 -10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.298 -4.989 -10.611 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.964 -4.409 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.676 -6.457 -13.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.056 -4.722 -13.146 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.117 -5.510 -14.436 1.00 0.00 H new ATOM 882 N ASP A 63 -6.489 -5.521 -12.681 1.00 0.00 N ATOM 883 CA ASP A 63 -5.786 -6.746 -13.045 1.00 0.00 C ATOM 884 C ASP A 63 -6.543 -7.974 -12.551 1.00 0.00 C ATOM 885 O ASP A 63 -7.633 -7.860 -11.990 1.00 0.00 O ATOM 886 CB ASP A 63 -4.370 -6.737 -12.468 1.00 0.00 C ATOM 887 CG ASP A 63 -3.423 -7.630 -13.245 1.00 0.00 C ATOM 888 OD1 ASP A 63 -3.866 -8.242 -14.239 1.00 0.00 O ATOM 889 OD2 ASP A 63 -2.238 -7.718 -12.858 1.00 0.00 O ATOM 0 H ASP A 63 -6.314 -5.201 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.726 -6.792 -14.132 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.986 -5.717 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.402 -7.064 -11.429 1.00 0.00 H new ATOM 894 N SER A 64 -5.959 -9.149 -12.764 1.00 0.00 N ATOM 895 CA SER A 64 -6.580 -10.400 -12.344 1.00 0.00 C ATOM 896 C SER A 64 -6.973 -10.343 -10.871 1.00 0.00 C ATOM 897 O SER A 64 -6.162 -10.631 -9.990 1.00 0.00 O ATOM 898 CB SER A 64 -5.629 -11.573 -12.586 1.00 0.00 C ATOM 899 OG SER A 64 -5.610 -11.941 -13.954 1.00 0.00 O ATOM 0 H SER A 64 -5.056 -9.261 -13.225 1.00 0.00 H new ATOM 0 HA SER A 64 -7.483 -10.546 -12.937 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.623 -11.302 -12.265 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.937 -12.426 -11.981 1.00 0.00 H new ATOM 0 HG SER A 64 -4.993 -12.692 -14.082 1.00 0.00 H new ATOM 905 N ASP A 65 -8.221 -9.971 -10.612 1.00 0.00 N ATOM 906 CA ASP A 65 -8.724 -9.878 -9.246 1.00 0.00 C ATOM 907 C ASP A 65 -7.644 -9.353 -8.305 1.00 0.00 C ATOM 908 O ASP A 65 -7.571 -9.751 -7.142 1.00 0.00 O ATOM 909 CB ASP A 65 -9.215 -11.245 -8.766 1.00 0.00 C ATOM 910 CG ASP A 65 -10.569 -11.608 -9.342 1.00 0.00 C ATOM 911 OD1 ASP A 65 -10.607 -12.192 -10.445 1.00 0.00 O ATOM 912 OD2 ASP A 65 -11.592 -11.307 -8.691 1.00 0.00 O ATOM 0 H ASP A 65 -8.904 -9.729 -11.330 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.559 -9.178 -9.239 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.488 -12.008 -9.045 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.274 -11.245 -7.678 1.00 0.00 H new ATOM 917 N LYS A 66 -6.806 -8.457 -8.815 1.00 0.00 N ATOM 918 CA LYS A 66 -5.730 -7.876 -8.021 1.00 0.00 C ATOM 919 C LYS A 66 -5.279 -6.543 -8.609 1.00 0.00 C ATOM 920 O LYS A 66 -5.729 -6.142 -9.683 1.00 0.00 O ATOM 921 CB LYS A 66 -4.544 -8.840 -7.949 1.00 0.00 C ATOM 922 CG LYS A 66 -4.792 -10.043 -7.054 1.00 0.00 C ATOM 923 CD LYS A 66 -3.496 -10.757 -6.709 1.00 0.00 C ATOM 924 CE LYS A 66 -3.145 -11.809 -7.750 1.00 0.00 C ATOM 925 NZ LYS A 66 -3.772 -13.125 -7.443 1.00 0.00 N ATOM 0 H LYS A 66 -6.851 -8.117 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.109 -7.700 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.308 -9.188 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.670 -8.301 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -5.286 -9.720 -6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.469 -10.736 -7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.687 -10.030 -6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.588 -11.228 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.473 -11.471 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.062 -11.925 -7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.509 -13.814 -8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.439 -13.460 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.807 -13.020 -7.422 1.00 0.00 H new ATOM 939 N HIS A 67 -4.386 -5.860 -7.900 1.00 0.00 N ATOM 940 CA HIS A 67 -3.873 -4.572 -8.353 1.00 0.00 C ATOM 941 C HIS A 67 -2.407 -4.404 -7.963 1.00 0.00 C ATOM 942 O HIS A 67 -1.956 -4.945 -6.954 1.00 0.00 O ATOM 943 CB HIS A 67 -4.703 -3.432 -7.764 1.00 0.00 C ATOM 944 CG HIS A 67 -6.030 -3.249 -8.433 1.00 0.00 C ATOM 945 ND1 HIS A 67 -7.223 -3.850 -8.214 1.00 0.00 N flip ATOM 946 CD2 HIS A 67 -6.236 -2.358 -9.465 1.00 0.00 C flip ATOM 947 CE1 HIS A 67 -8.118 -3.316 -9.108 1.00 0.00 C flip ATOM 948 NE2 HIS A 67 -7.498 -2.418 -9.851 1.00 0.00 N flip ATOM 0 H HIS A 67 -4.003 -6.177 -7.010 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.948 -4.541 -9.440 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.864 -3.621 -6.703 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.136 -2.504 -7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.483 -1.712 -9.891 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.160 -3.587 -9.190 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.921 -1.865 -10.596 1.00 0.00 H new ATOM 957 N THR A 68 -1.667 -3.650 -8.771 1.00 0.00 N ATOM 958 CA THR A 68 -0.253 -3.412 -8.513 1.00 0.00 C ATOM 959 C THR A 68 0.027 -1.928 -8.311 1.00 0.00 C ATOM 960 O THR A 68 -0.441 -1.088 -9.080 1.00 0.00 O ATOM 961 CB THR A 68 0.625 -3.937 -9.664 1.00 0.00 C ATOM 962 OG1 THR A 68 0.340 -5.319 -9.908 1.00 0.00 O ATOM 963 CG2 THR A 68 2.101 -3.768 -9.340 1.00 0.00 C ATOM 0 H THR A 68 -2.025 -3.194 -9.610 1.00 0.00 H new ATOM 0 HA THR A 68 -0.003 -3.953 -7.600 1.00 0.00 H new ATOM 0 HB THR A 68 0.397 -3.357 -10.558 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.901 -5.644 -10.642 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.701 -4.146 -10.168 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.321 -2.712 -9.185 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.341 -4.325 -8.434 1.00 0.00 H new ATOM 971 N ILE A 69 0.794 -1.611 -7.273 1.00 0.00 N ATOM 972 CA ILE A 69 1.137 -0.226 -6.972 1.00 0.00 C ATOM 973 C ILE A 69 2.646 -0.013 -7.012 1.00 0.00 C ATOM 974 O ILE A 69 3.420 -0.921 -6.707 1.00 0.00 O ATOM 975 CB ILE A 69 0.607 0.198 -5.590 1.00 0.00 C ATOM 976 CG1 ILE A 69 -0.684 -0.556 -5.261 1.00 0.00 C ATOM 977 CG2 ILE A 69 0.374 1.701 -5.550 1.00 0.00 C ATOM 978 CD1 ILE A 69 -1.836 -0.210 -6.179 1.00 0.00 C ATOM 0 H ILE A 69 1.189 -2.294 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 69 0.665 0.390 -7.738 1.00 0.00 H new ATOM 0 HB ILE A 69 1.354 -0.054 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.494 -1.628 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.971 -0.337 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.001 1.985 -4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.313 2.220 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.357 1.976 -6.310 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.718 -0.781 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.053 0.856 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.568 -0.455 -7.207 1.00 0.00 H new ATOM 990 N ARG A 70 3.058 1.193 -7.390 1.00 0.00 N ATOM 991 CA ARG A 70 4.475 1.526 -7.470 1.00 0.00 C ATOM 992 C ARG A 70 4.701 3.011 -7.203 1.00 0.00 C ATOM 993 O ARG A 70 4.115 3.867 -7.866 1.00 0.00 O ATOM 994 CB ARG A 70 5.032 1.154 -8.845 1.00 0.00 C ATOM 995 CG ARG A 70 6.544 0.998 -8.868 1.00 0.00 C ATOM 996 CD ARG A 70 7.042 0.604 -10.250 1.00 0.00 C ATOM 997 NE ARG A 70 8.389 0.041 -10.207 1.00 0.00 N ATOM 998 CZ ARG A 70 9.110 -0.222 -11.290 1.00 0.00 C ATOM 999 NH1 ARG A 70 8.617 0.025 -12.496 1.00 0.00 N ATOM 1000 NH2 ARG A 70 10.329 -0.734 -11.169 1.00 0.00 N ATOM 0 H ARG A 70 2.430 1.955 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 70 5.000 0.953 -6.706 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.574 0.221 -9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.743 1.921 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.012 1.934 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.844 0.242 -8.143 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.359 -0.124 -10.687 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.035 1.479 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 70 8.798 -0.161 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.681 0.418 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.174 -0.178 -13.326 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.712 -0.926 -10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.882 -0.936 -12.002 1.00 0.00 H new ATOM 1014 N PHE A 71 5.553 3.309 -6.228 1.00 0.00 N ATOM 1015 CA PHE A 71 5.854 4.691 -5.872 1.00 0.00 C ATOM 1016 C PHE A 71 7.199 4.787 -5.157 1.00 0.00 C ATOM 1017 O PHE A 71 7.556 3.916 -4.364 1.00 0.00 O ATOM 1018 CB PHE A 71 4.749 5.264 -4.982 1.00 0.00 C ATOM 1019 CG PHE A 71 4.378 4.368 -3.836 1.00 0.00 C ATOM 1020 CD1 PHE A 71 5.235 4.206 -2.760 1.00 0.00 C ATOM 1021 CD2 PHE A 71 3.171 3.686 -3.835 1.00 0.00 C ATOM 1022 CE1 PHE A 71 4.896 3.382 -1.703 1.00 0.00 C ATOM 1023 CE2 PHE A 71 2.826 2.862 -2.781 1.00 0.00 C ATOM 1024 CZ PHE A 71 3.690 2.708 -1.714 1.00 0.00 C ATOM 0 H PHE A 71 6.047 2.612 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 71 5.908 5.273 -6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.073 6.228 -4.589 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.863 5.449 -5.590 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.179 4.730 -2.747 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.493 3.800 -4.668 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.573 3.265 -0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.881 2.339 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.423 2.062 -0.890 1.00 0.00 H new ATOM 1034 N ILE A 72 7.940 5.852 -5.445 1.00 0.00 N ATOM 1035 CA ILE A 72 9.245 6.063 -4.830 1.00 0.00 C ATOM 1036 C ILE A 72 9.204 7.222 -3.839 1.00 0.00 C ATOM 1037 O ILE A 72 8.816 8.342 -4.170 1.00 0.00 O ATOM 1038 CB ILE A 72 10.327 6.346 -5.888 1.00 0.00 C ATOM 1039 CG1 ILE A 72 10.528 5.120 -6.782 1.00 0.00 C ATOM 1040 CG2 ILE A 72 11.634 6.739 -5.217 1.00 0.00 C ATOM 1041 CD1 ILE A 72 11.267 5.425 -8.067 1.00 0.00 C ATOM 0 H ILE A 72 7.659 6.582 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 72 9.497 5.144 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 72 9.997 7.177 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.079 4.361 -6.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.555 4.693 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.389 6.936 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.480 7.637 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 72 11.971 5.927 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.374 4.511 -8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.706 6.161 -8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.254 5.823 -7.833 1.00 0.00 H new ATOM 1053 N PRO A 73 9.617 6.949 -2.592 1.00 0.00 N ATOM 1054 CA PRO A 73 9.640 7.956 -1.527 1.00 0.00 C ATOM 1055 C PRO A 73 10.712 9.015 -1.755 1.00 0.00 C ATOM 1056 O PRO A 73 11.803 8.941 -1.187 1.00 0.00 O ATOM 1057 CB PRO A 73 9.954 7.138 -0.272 1.00 0.00 C ATOM 1058 CG PRO A 73 10.678 5.937 -0.774 1.00 0.00 C ATOM 1059 CD PRO A 73 10.093 5.635 -2.126 1.00 0.00 C ATOM 0 HA PRO A 73 8.702 8.509 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.567 7.706 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.043 6.859 0.257 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.749 6.129 -0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.550 5.093 -0.096 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.838 5.215 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.279 4.913 -2.060 1.00 0.00 H new ATOM 1067 N HIS A 74 10.396 10.002 -2.588 1.00 0.00 N ATOM 1068 CA HIS A 74 11.333 11.078 -2.889 1.00 0.00 C ATOM 1069 C HIS A 74 12.097 11.500 -1.638 1.00 0.00 C ATOM 1070 O HIS A 74 13.323 11.599 -1.652 1.00 0.00 O ATOM 1071 CB HIS A 74 10.591 12.279 -3.477 1.00 0.00 C ATOM 1072 CG HIS A 74 10.281 12.137 -4.935 1.00 0.00 C ATOM 1073 ND1 HIS A 74 9.748 10.989 -5.482 1.00 0.00 N ATOM 1074 CD2 HIS A 74 10.430 13.007 -5.961 1.00 0.00 C ATOM 1075 CE1 HIS A 74 9.585 11.159 -6.782 1.00 0.00 C ATOM 1076 NE2 HIS A 74 9.990 12.376 -7.098 1.00 0.00 N ATOM 0 H HIS A 74 9.498 10.078 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 74 12.049 10.708 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.660 12.424 -2.929 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.192 13.176 -3.328 1.00 0.00 H new ATOM 0 HD1 HIS A 74 9.516 10.141 -4.964 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.822 14.011 -5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 74 9.188 10.427 -7.470 1.00 0.00 H new ATOM 1085 N GLU A 75 11.363 11.747 -0.557 1.00 0.00 N ATOM 1086 CA GLU A 75 11.973 12.160 0.702 1.00 0.00 C ATOM 1087 C GLU A 75 11.716 11.126 1.795 1.00 0.00 C ATOM 1088 O GLU A 75 10.691 10.446 1.792 1.00 0.00 O ATOM 1089 CB GLU A 75 11.429 13.523 1.135 1.00 0.00 C ATOM 1090 CG GLU A 75 11.816 13.910 2.552 1.00 0.00 C ATOM 1091 CD GLU A 75 13.295 14.212 2.691 1.00 0.00 C ATOM 1092 OE1 GLU A 75 13.836 14.941 1.833 1.00 0.00 O ATOM 1093 OE2 GLU A 75 13.912 13.720 3.659 1.00 0.00 O ATOM 0 H GLU A 75 10.346 11.668 -0.528 1.00 0.00 H new ATOM 0 HA GLU A 75 13.049 12.240 0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.793 14.286 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.342 13.513 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.240 14.784 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.549 13.101 3.231 1.00 0.00 H new ATOM 1100 N ASN A 76 12.656 11.015 2.728 1.00 0.00 N ATOM 1101 CA ASN A 76 12.532 10.064 3.827 1.00 0.00 C ATOM 1102 C ASN A 76 11.346 10.416 4.720 1.00 0.00 C ATOM 1103 O ASN A 76 10.713 11.457 4.548 1.00 0.00 O ATOM 1104 CB ASN A 76 13.819 10.041 4.655 1.00 0.00 C ATOM 1105 CG ASN A 76 14.840 9.062 4.109 1.00 0.00 C ATOM 1106 OD1 ASN A 76 15.945 9.449 3.727 1.00 0.00 O ATOM 1107 ND2 ASN A 76 14.475 7.786 4.070 1.00 0.00 N ATOM 0 H ASN A 76 13.511 11.571 2.745 1.00 0.00 H new ATOM 0 HA ASN A 76 12.363 9.075 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.253 11.041 4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.580 9.776 5.685 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.121 7.082 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.549 7.510 4.397 1.00 0.00 H new ATOM 1114 N GLY A 77 11.051 9.539 5.675 1.00 0.00 N ATOM 1115 CA GLY A 77 9.942 9.774 6.581 1.00 0.00 C ATOM 1116 C GLY A 77 8.821 8.770 6.398 1.00 0.00 C ATOM 1117 O GLY A 77 8.877 7.921 5.509 1.00 0.00 O ATOM 0 H GLY A 77 11.560 8.670 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.301 9.730 7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.554 10.780 6.422 1.00 0.00 H new ATOM 1121 N VAL A 78 7.799 8.866 7.243 1.00 0.00 N ATOM 1122 CA VAL A 78 6.660 7.959 7.171 1.00 0.00 C ATOM 1123 C VAL A 78 5.574 8.512 6.255 1.00 0.00 C ATOM 1124 O VAL A 78 4.975 9.550 6.540 1.00 0.00 O ATOM 1125 CB VAL A 78 6.058 7.702 8.565 1.00 0.00 C ATOM 1126 CG1 VAL A 78 4.694 7.040 8.445 1.00 0.00 C ATOM 1127 CG2 VAL A 78 7.001 6.851 9.403 1.00 0.00 C ATOM 0 H VAL A 78 7.737 9.563 7.985 1.00 0.00 H new ATOM 0 HA VAL A 78 7.030 7.018 6.764 1.00 0.00 H new ATOM 0 HB VAL A 78 5.926 8.661 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.285 6.867 9.440 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.022 7.690 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.796 6.088 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.560 6.679 10.385 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.166 5.895 8.907 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.953 7.369 9.518 1.00 0.00 H new ATOM 1137 N HIS A 79 5.323 7.811 5.154 1.00 0.00 N ATOM 1138 CA HIS A 79 4.307 8.231 4.195 1.00 0.00 C ATOM 1139 C HIS A 79 2.975 7.544 4.479 1.00 0.00 C ATOM 1140 O HIS A 79 2.939 6.428 4.998 1.00 0.00 O ATOM 1141 CB HIS A 79 4.762 7.919 2.769 1.00 0.00 C ATOM 1142 CG HIS A 79 5.977 8.686 2.346 1.00 0.00 C ATOM 1143 ND1 HIS A 79 6.989 9.031 3.216 1.00 0.00 N ATOM 1144 CD2 HIS A 79 6.340 9.172 1.136 1.00 0.00 C ATOM 1145 CE1 HIS A 79 7.922 9.699 2.561 1.00 0.00 C ATOM 1146 NE2 HIS A 79 7.553 9.797 1.296 1.00 0.00 N ATOM 0 H HIS A 79 5.809 6.950 4.904 1.00 0.00 H new ATOM 0 HA HIS A 79 4.169 9.307 4.297 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.970 6.852 2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 79 3.946 8.138 2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.781 9.085 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.831 10.097 2.987 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.083 10.261 0.558 1.00 0.00 H new ATOM 1155 N SER A 80 1.882 8.218 4.136 1.00 0.00 N ATOM 1156 CA SER A 80 0.547 7.674 4.358 1.00 0.00 C ATOM 1157 C SER A 80 -0.059 7.171 3.052 1.00 0.00 C ATOM 1158 O SER A 80 -0.381 7.958 2.161 1.00 0.00 O ATOM 1159 CB SER A 80 -0.362 8.736 4.980 1.00 0.00 C ATOM 1160 OG SER A 80 -0.299 8.697 6.395 1.00 0.00 O ATOM 0 H SER A 80 1.894 9.142 3.703 1.00 0.00 H new ATOM 0 HA SER A 80 0.634 6.832 5.045 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.066 9.724 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.390 8.575 4.654 1.00 0.00 H new ATOM 0 HG SER A 80 -0.887 9.386 6.768 1.00 0.00 H new ATOM 1166 N ILE A 81 -0.210 5.855 2.946 1.00 0.00 N ATOM 1167 CA ILE A 81 -0.778 5.246 1.749 1.00 0.00 C ATOM 1168 C ILE A 81 -2.301 5.202 1.825 1.00 0.00 C ATOM 1169 O ILE A 81 -2.871 4.492 2.654 1.00 0.00 O ATOM 1170 CB ILE A 81 -0.244 3.817 1.537 1.00 0.00 C ATOM 1171 CG1 ILE A 81 1.252 3.757 1.851 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -0.510 3.359 0.111 1.00 0.00 C ATOM 1173 CD1 ILE A 81 2.087 4.683 0.995 1.00 0.00 C ATOM 0 H ILE A 81 0.053 5.190 3.674 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.476 5.866 0.905 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.766 3.145 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.405 4.009 2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.603 2.734 1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.127 2.347 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.583 3.369 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.011 4.032 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.137 4.587 1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.964 4.418 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.763 5.712 1.149 1.00 0.00 H new ATOM 1185 N ASP A 82 -2.953 5.962 0.954 1.00 0.00 N ATOM 1186 CA ASP A 82 -4.411 6.008 0.919 1.00 0.00 C ATOM 1187 C ASP A 82 -4.965 4.950 -0.030 1.00 0.00 C ATOM 1188 O ASP A 82 -4.729 4.998 -1.237 1.00 0.00 O ATOM 1189 CB ASP A 82 -4.889 7.396 0.490 1.00 0.00 C ATOM 1190 CG ASP A 82 -6.233 7.354 -0.210 1.00 0.00 C ATOM 1191 OD1 ASP A 82 -7.267 7.393 0.488 1.00 0.00 O ATOM 1192 OD2 ASP A 82 -6.250 7.282 -1.457 1.00 0.00 O ATOM 0 H ASP A 82 -2.496 6.555 0.262 1.00 0.00 H new ATOM 0 HA ASP A 82 -4.781 5.800 1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.959 8.040 1.367 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.150 7.842 -0.175 1.00 0.00 H new ATOM 1197 N VAL A 83 -5.703 3.993 0.525 1.00 0.00 N ATOM 1198 CA VAL A 83 -6.292 2.923 -0.271 1.00 0.00 C ATOM 1199 C VAL A 83 -7.813 2.937 -0.172 1.00 0.00 C ATOM 1200 O VAL A 83 -8.379 2.711 0.897 1.00 0.00 O ATOM 1201 CB VAL A 83 -5.772 1.543 0.173 1.00 0.00 C ATOM 1202 CG1 VAL A 83 -6.310 0.451 -0.739 1.00 0.00 C ATOM 1203 CG2 VAL A 83 -4.251 1.528 0.195 1.00 0.00 C ATOM 0 H VAL A 83 -5.907 3.937 1.523 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.997 3.099 -1.306 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.129 1.348 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.932 -0.517 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.399 0.448 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.985 0.639 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.901 0.545 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.871 1.745 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.890 2.283 0.893 1.00 0.00 H new ATOM 1213 N LYS A 84 -8.471 3.204 -1.295 1.00 0.00 N ATOM 1214 CA LYS A 84 -9.927 3.246 -1.338 1.00 0.00 C ATOM 1215 C LYS A 84 -10.478 2.147 -2.241 1.00 0.00 C ATOM 1216 O LYS A 84 -9.800 1.689 -3.161 1.00 0.00 O ATOM 1217 CB LYS A 84 -10.404 4.614 -1.833 1.00 0.00 C ATOM 1218 CG LYS A 84 -10.495 5.660 -0.735 1.00 0.00 C ATOM 1219 CD LYS A 84 -11.321 6.858 -1.173 1.00 0.00 C ATOM 1220 CE LYS A 84 -12.810 6.553 -1.130 1.00 0.00 C ATOM 1221 NZ LYS A 84 -13.369 6.708 0.242 1.00 0.00 N ATOM 0 H LYS A 84 -8.018 3.395 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.300 3.081 -0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.723 4.969 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.383 4.502 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.940 5.216 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.493 5.989 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.104 7.708 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.037 7.147 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.337 7.218 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.982 5.535 -1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.386 6.491 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.884 6.055 0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.228 7.686 0.566 1.00 0.00 H new ATOM 1235 N PHE A 85 -11.710 1.729 -1.973 1.00 0.00 N ATOM 1236 CA PHE A 85 -12.351 0.684 -2.763 1.00 0.00 C ATOM 1237 C PHE A 85 -13.815 1.023 -3.027 1.00 0.00 C ATOM 1238 O PHE A 85 -14.611 1.153 -2.099 1.00 0.00 O ATOM 1239 CB PHE A 85 -12.251 -0.662 -2.043 1.00 0.00 C ATOM 1240 CG PHE A 85 -12.593 -1.836 -2.915 1.00 0.00 C ATOM 1241 CD1 PHE A 85 -11.971 -2.010 -4.141 1.00 0.00 C ATOM 1242 CD2 PHE A 85 -13.538 -2.765 -2.510 1.00 0.00 C ATOM 1243 CE1 PHE A 85 -12.284 -3.089 -4.946 1.00 0.00 C ATOM 1244 CE2 PHE A 85 -13.855 -3.846 -3.311 1.00 0.00 C ATOM 1245 CZ PHE A 85 -13.228 -4.007 -4.531 1.00 0.00 C ATOM 0 H PHE A 85 -12.285 2.097 -1.215 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.833 0.617 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.238 -0.786 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.918 -0.654 -1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.233 -1.294 -4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.032 -2.643 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.791 -3.214 -5.899 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.592 -4.564 -2.983 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.476 -4.850 -5.159 1.00 0.00 H new ATOM 1255 N ASN A 86 -14.162 1.166 -4.303 1.00 0.00 N ATOM 1256 CA ASN A 86 -15.530 1.492 -4.691 1.00 0.00 C ATOM 1257 C ASN A 86 -16.101 2.591 -3.801 1.00 0.00 C ATOM 1258 O ASN A 86 -17.293 2.601 -3.496 1.00 0.00 O ATOM 1259 CB ASN A 86 -16.414 0.246 -4.614 1.00 0.00 C ATOM 1260 CG ASN A 86 -15.828 -0.927 -5.375 1.00 0.00 C ATOM 1261 OD1 ASN A 86 -14.737 -1.403 -5.061 1.00 0.00 O ATOM 1262 ND2 ASN A 86 -16.553 -1.399 -6.383 1.00 0.00 N ATOM 0 H ASN A 86 -13.515 1.061 -5.085 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.513 1.855 -5.719 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.552 -0.034 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.401 0.479 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.211 -2.187 -6.932 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.452 -0.973 -6.608 1.00 0.00 H new ATOM 1269 N GLY A 87 -15.241 3.517 -3.386 1.00 0.00 N ATOM 1270 CA GLY A 87 -15.678 4.608 -2.535 1.00 0.00 C ATOM 1271 C GLY A 87 -15.763 4.207 -1.076 1.00 0.00 C ATOM 1272 O GLY A 87 -16.773 4.449 -0.416 1.00 0.00 O ATOM 0 H GLY A 87 -14.249 3.531 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -14.987 5.445 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -16.655 4.957 -2.870 1.00 0.00 H new ATOM 1276 N ALA A 88 -14.699 3.590 -0.571 1.00 0.00 N ATOM 1277 CA ALA A 88 -14.657 3.155 0.819 1.00 0.00 C ATOM 1278 C ALA A 88 -13.219 3.010 1.306 1.00 0.00 C ATOM 1279 O ALA A 88 -12.328 2.640 0.540 1.00 0.00 O ATOM 1280 CB ALA A 88 -15.407 1.842 0.985 1.00 0.00 C ATOM 0 H ALA A 88 -13.855 3.381 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 88 -15.144 3.918 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -15.367 1.530 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -16.447 1.976 0.686 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -14.946 1.078 0.360 1.00 0.00 H new ATOM 1286 N HIS A 89 -12.999 3.304 2.583 1.00 0.00 N ATOM 1287 CA HIS A 89 -11.668 3.206 3.172 1.00 0.00 C ATOM 1288 C HIS A 89 -11.444 1.826 3.784 1.00 0.00 C ATOM 1289 O HIS A 89 -12.224 1.376 4.624 1.00 0.00 O ATOM 1290 CB HIS A 89 -11.477 4.286 4.237 1.00 0.00 C ATOM 1291 CG HIS A 89 -10.902 5.560 3.702 1.00 0.00 C ATOM 1292 ND1 HIS A 89 -9.547 5.817 3.664 1.00 0.00 N ATOM 1293 CD2 HIS A 89 -11.505 6.653 3.179 1.00 0.00 C ATOM 1294 CE1 HIS A 89 -9.343 7.014 3.142 1.00 0.00 C ATOM 1295 NE2 HIS A 89 -10.515 7.542 2.839 1.00 0.00 N ATOM 0 H HIS A 89 -13.725 3.612 3.230 1.00 0.00 H new ATOM 0 HA HIS A 89 -10.936 3.355 2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.439 4.499 4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.822 3.902 5.019 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.568 6.799 3.053 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.381 7.481 2.989 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -10.661 8.461 2.421 1.00 0.00 H new ATOM 1304 N ILE A 90 -10.377 1.160 3.356 1.00 0.00 N ATOM 1305 CA ILE A 90 -10.052 -0.168 3.862 1.00 0.00 C ATOM 1306 C ILE A 90 -9.578 -0.103 5.310 1.00 0.00 C ATOM 1307 O ILE A 90 -9.013 0.893 5.761 1.00 0.00 O ATOM 1308 CB ILE A 90 -8.965 -0.845 3.008 1.00 0.00 C ATOM 1309 CG1 ILE A 90 -7.628 -0.120 3.175 1.00 0.00 C ATOM 1310 CG2 ILE A 90 -9.380 -0.870 1.544 1.00 0.00 C ATOM 1311 CD1 ILE A 90 -6.426 -1.003 2.924 1.00 0.00 C ATOM 0 H ILE A 90 -9.723 1.518 2.660 1.00 0.00 H new ATOM 0 HA ILE A 90 -10.966 -0.759 3.807 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.845 -1.873 3.349 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.595 0.727 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.567 0.284 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.601 -1.352 0.953 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -10.311 -1.427 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -9.525 0.150 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.513 -0.423 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.434 -1.837 3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.463 -1.387 1.904 1.00 0.00 H new ATOM 1323 N PRO A 91 -9.812 -1.192 6.058 1.00 0.00 N ATOM 1324 CA PRO A 91 -9.415 -1.285 7.466 1.00 0.00 C ATOM 1325 C PRO A 91 -7.902 -1.372 7.637 1.00 0.00 C ATOM 1326 O PRO A 91 -7.300 -2.419 7.404 1.00 0.00 O ATOM 1327 CB PRO A 91 -10.081 -2.580 7.937 1.00 0.00 C ATOM 1328 CG PRO A 91 -10.240 -3.396 6.701 1.00 0.00 C ATOM 1329 CD PRO A 91 -10.481 -2.416 5.586 1.00 0.00 C ATOM 0 HA PRO A 91 -9.715 -0.404 8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.466 -3.095 8.675 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.044 -2.381 8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.348 -3.993 6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -11.074 -4.091 6.797 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.059 -2.767 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.545 -2.253 5.417 1.00 0.00 H new ATOM 1337 N GLY A 92 -7.293 -0.263 8.046 1.00 0.00 N ATOM 1338 CA GLY A 92 -5.855 -0.235 8.242 1.00 0.00 C ATOM 1339 C GLY A 92 -5.202 0.961 7.578 1.00 0.00 C ATOM 1340 O GLY A 92 -4.091 1.350 7.939 1.00 0.00 O ATOM 0 H GLY A 92 -7.770 0.616 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.637 -0.217 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.419 -1.151 7.843 1.00 0.00 H new ATOM 1344 N SER A 93 -5.893 1.545 6.604 1.00 0.00 N ATOM 1345 CA SER A 93 -5.371 2.701 5.884 1.00 0.00 C ATOM 1346 C SER A 93 -5.722 3.996 6.609 1.00 0.00 C ATOM 1347 O SER A 93 -6.712 4.082 7.336 1.00 0.00 O ATOM 1348 CB SER A 93 -5.926 2.734 4.459 1.00 0.00 C ATOM 1349 OG SER A 93 -6.068 4.067 3.998 1.00 0.00 O ATOM 0 H SER A 93 -6.815 1.237 6.295 1.00 0.00 H new ATOM 0 HA SER A 93 -4.285 2.612 5.841 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.260 2.185 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.892 2.231 4.430 1.00 0.00 H new ATOM 0 HG SER A 93 -6.810 4.115 3.360 1.00 0.00 H new ATOM 1355 N PRO A 94 -4.891 5.030 6.408 1.00 0.00 N ATOM 1356 CA PRO A 94 -3.709 4.939 5.546 1.00 0.00 C ATOM 1357 C PRO A 94 -2.621 4.055 6.145 1.00 0.00 C ATOM 1358 O PRO A 94 -2.394 4.067 7.355 1.00 0.00 O ATOM 1359 CB PRO A 94 -3.228 6.389 5.451 1.00 0.00 C ATOM 1360 CG PRO A 94 -3.734 7.039 6.692 1.00 0.00 C ATOM 1361 CD PRO A 94 -5.042 6.367 7.007 1.00 0.00 C ATOM 0 HA PRO A 94 -3.942 4.488 4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.141 6.442 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.620 6.879 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.026 6.919 7.512 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.871 8.110 6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.215 6.309 8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.885 6.907 6.577 1.00 0.00 H new ATOM 1369 N PHE A 95 -1.951 3.289 5.290 1.00 0.00 N ATOM 1370 CA PHE A 95 -0.887 2.397 5.736 1.00 0.00 C ATOM 1371 C PHE A 95 0.404 3.173 5.984 1.00 0.00 C ATOM 1372 O PHE A 95 1.103 3.555 5.046 1.00 0.00 O ATOM 1373 CB PHE A 95 -0.644 1.300 4.698 1.00 0.00 C ATOM 1374 CG PHE A 95 -1.695 0.227 4.702 1.00 0.00 C ATOM 1375 CD1 PHE A 95 -1.986 -0.471 5.863 1.00 0.00 C ATOM 1376 CD2 PHE A 95 -2.392 -0.083 3.545 1.00 0.00 C ATOM 1377 CE1 PHE A 95 -2.953 -1.459 5.870 1.00 0.00 C ATOM 1378 CE2 PHE A 95 -3.360 -1.069 3.547 1.00 0.00 C ATOM 1379 CZ PHE A 95 -3.641 -1.758 4.710 1.00 0.00 C ATOM 0 H PHE A 95 -2.126 3.268 4.285 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.201 1.938 6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.601 1.752 3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.329 0.845 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.451 -0.241 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -2.176 0.452 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.170 -1.996 6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.897 -1.301 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.397 -2.529 4.713 1.00 0.00 H new ATOM 1389 N LYS A 96 0.713 3.403 7.256 1.00 0.00 N ATOM 1390 CA LYS A 96 1.919 4.132 7.630 1.00 0.00 C ATOM 1391 C LYS A 96 3.167 3.296 7.360 1.00 0.00 C ATOM 1392 O LYS A 96 3.486 2.378 8.117 1.00 0.00 O ATOM 1393 CB LYS A 96 1.865 4.522 9.109 1.00 0.00 C ATOM 1394 CG LYS A 96 0.777 5.531 9.432 1.00 0.00 C ATOM 1395 CD LYS A 96 1.095 6.899 8.853 1.00 0.00 C ATOM 1396 CE LYS A 96 0.247 7.987 9.493 1.00 0.00 C ATOM 1397 NZ LYS A 96 0.877 8.525 10.731 1.00 0.00 N ATOM 0 H LYS A 96 0.145 3.095 8.045 1.00 0.00 H new ATOM 0 HA LYS A 96 1.970 5.036 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.706 3.625 9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.830 4.934 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.176 5.180 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.662 5.610 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.151 7.123 9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.923 6.888 7.777 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.098 8.798 8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.738 7.586 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.268 9.264 11.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.997 7.757 11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.806 8.930 10.500 1.00 0.00 H new ATOM 1411 N ILE A 97 3.867 3.620 6.279 1.00 0.00 N ATOM 1412 CA ILE A 97 5.080 2.901 5.911 1.00 0.00 C ATOM 1413 C ILE A 97 6.326 3.682 6.314 1.00 0.00 C ATOM 1414 O ILE A 97 6.284 4.904 6.463 1.00 0.00 O ATOM 1415 CB ILE A 97 5.131 2.619 4.398 1.00 0.00 C ATOM 1416 CG1 ILE A 97 4.991 3.922 3.609 1.00 0.00 C ATOM 1417 CG2 ILE A 97 4.039 1.635 4.006 1.00 0.00 C ATOM 1418 CD1 ILE A 97 5.426 3.805 2.166 1.00 0.00 C ATOM 0 H ILE A 97 3.615 4.376 5.642 1.00 0.00 H new ATOM 0 HA ILE A 97 5.059 1.953 6.448 1.00 0.00 H new ATOM 0 HB ILE A 97 6.097 2.174 4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.951 4.247 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.582 4.697 4.096 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.088 1.446 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.181 0.699 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.064 2.054 4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.299 4.767 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.475 3.511 2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.818 3.053 1.663 1.00 0.00 H new ATOM 1430 N ARG A 98 7.435 2.970 6.486 1.00 0.00 N ATOM 1431 CA ARG A 98 8.694 3.597 6.871 1.00 0.00 C ATOM 1432 C ARG A 98 9.703 3.535 5.728 1.00 0.00 C ATOM 1433 O ARG A 98 9.839 2.509 5.061 1.00 0.00 O ATOM 1434 CB ARG A 98 9.270 2.914 8.112 1.00 0.00 C ATOM 1435 CG ARG A 98 10.263 3.775 8.876 1.00 0.00 C ATOM 1436 CD ARG A 98 10.368 3.347 10.331 1.00 0.00 C ATOM 1437 NE ARG A 98 11.676 3.659 10.900 1.00 0.00 N ATOM 1438 CZ ARG A 98 12.084 3.223 12.087 1.00 0.00 C ATOM 1439 NH1 ARG A 98 11.289 2.462 12.826 1.00 0.00 N ATOM 1440 NH2 ARG A 98 13.289 3.549 12.537 1.00 0.00 N ATOM 0 H ARG A 98 7.487 1.959 6.365 1.00 0.00 H new ATOM 0 HA ARG A 98 8.495 4.644 7.101 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.452 2.640 8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.761 1.988 7.812 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.243 3.707 8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.956 4.820 8.824 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.592 3.845 10.912 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.186 2.275 10.408 1.00 0.00 H new ATOM 0 HE ARG A 98 12.311 4.244 10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.362 2.210 12.484 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.605 2.129 13.737 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.903 4.135 11.972 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.601 3.214 13.448 1.00 0.00 H new ATOM 1454 N VAL A 99 10.409 4.639 5.508 1.00 0.00 N ATOM 1455 CA VAL A 99 11.406 4.711 4.447 1.00 0.00 C ATOM 1456 C VAL A 99 12.761 5.147 4.994 1.00 0.00 C ATOM 1457 O VAL A 99 12.911 6.262 5.493 1.00 0.00 O ATOM 1458 CB VAL A 99 10.975 5.687 3.336 1.00 0.00 C ATOM 1459 CG1 VAL A 99 12.080 5.841 2.302 1.00 0.00 C ATOM 1460 CG2 VAL A 99 9.685 5.214 2.684 1.00 0.00 C ATOM 0 H VAL A 99 10.309 5.497 6.051 1.00 0.00 H new ATOM 0 HA VAL A 99 11.493 3.709 4.026 1.00 0.00 H new ATOM 0 HB VAL A 99 10.792 6.664 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.757 6.534 1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.978 6.228 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.298 4.871 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.395 5.915 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.838 4.227 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.896 5.161 3.434 1.00 0.00 H new ATOM 1470 N GLY A 100 13.746 4.260 4.896 1.00 0.00 N ATOM 1471 CA GLY A 100 15.077 4.572 5.386 1.00 0.00 C ATOM 1472 C GLY A 100 15.342 3.986 6.758 1.00 0.00 C ATOM 1473 O GLY A 100 14.974 4.576 7.773 1.00 0.00 O ATOM 0 H GLY A 100 13.647 3.331 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.818 4.192 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.201 5.654 5.426 1.00 0.00 H new ATOM 1477 N GLU A 101 15.981 2.821 6.789 1.00 0.00 N ATOM 1478 CA GLU A 101 16.292 2.154 8.048 1.00 0.00 C ATOM 1479 C GLU A 101 17.801 2.036 8.242 1.00 0.00 C ATOM 1480 O GLU A 101 18.467 1.267 7.550 1.00 0.00 O ATOM 1481 CB GLU A 101 15.652 0.765 8.087 1.00 0.00 C ATOM 1482 CG GLU A 101 14.134 0.796 8.145 1.00 0.00 C ATOM 1483 CD GLU A 101 13.610 1.234 9.499 1.00 0.00 C ATOM 1484 OE1 GLU A 101 14.437 1.564 10.375 1.00 0.00 O ATOM 1485 OE2 GLU A 101 12.375 1.246 9.683 1.00 0.00 O ATOM 0 H GLU A 101 16.293 2.320 5.957 1.00 0.00 H new ATOM 0 HA GLU A 101 15.884 2.757 8.859 1.00 0.00 H new ATOM 0 HB2 GLU A 101 15.962 0.206 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 101 16.029 0.224 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.759 1.474 7.378 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.745 -0.195 7.913 1.00 0.00 H new ATOM 1492 N GLN A 102 18.332 2.804 9.188 1.00 0.00 N ATOM 1493 CA GLN A 102 19.762 2.786 9.473 1.00 0.00 C ATOM 1494 C GLN A 102 20.242 1.368 9.763 1.00 0.00 C ATOM 1495 O GLN A 102 19.480 0.532 10.248 1.00 0.00 O ATOM 1496 CB GLN A 102 20.078 3.697 10.660 1.00 0.00 C ATOM 1497 CG GLN A 102 20.273 5.155 10.273 1.00 0.00 C ATOM 1498 CD GLN A 102 20.304 6.078 11.475 1.00 0.00 C ATOM 1499 OE1 GLN A 102 21.322 6.710 11.760 1.00 0.00 O ATOM 1500 NE2 GLN A 102 19.187 6.161 12.188 1.00 0.00 N ATOM 0 H GLN A 102 17.794 3.446 9.770 1.00 0.00 H new ATOM 0 HA GLN A 102 20.287 3.154 8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 102 19.268 3.628 11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 102 20.981 3.337 11.154 1.00 0.00 H new ATOM 0 HG2 GLN A 102 21.205 5.258 9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 102 19.467 5.461 9.605 1.00 0.00 H new ATOM 0 HE21 GLN A 102 18.367 5.619 11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 102 19.149 6.766 13.008 1.00 0.00 H new ATOM 1509 N SER A 103 21.509 1.104 9.462 1.00 0.00 N ATOM 1510 CA SER A 103 22.090 -0.215 9.687 1.00 0.00 C ATOM 1511 C SER A 103 23.251 -0.136 10.674 1.00 0.00 C ATOM 1512 O SER A 103 24.277 0.482 10.392 1.00 0.00 O ATOM 1513 CB SER A 103 22.570 -0.816 8.365 1.00 0.00 C ATOM 1514 OG SER A 103 23.666 -0.087 7.841 1.00 0.00 O ATOM 0 H SER A 103 22.153 1.786 9.062 1.00 0.00 H new ATOM 0 HA SER A 103 21.318 -0.857 10.111 1.00 0.00 H new ATOM 0 HB2 SER A 103 22.861 -1.855 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 103 21.752 -0.817 7.644 1.00 0.00 H new ATOM 0 HG SER A 103 24.176 0.311 8.577 1.00 0.00 H new ATOM 1520 N GLN A 104 23.079 -0.767 11.831 1.00 0.00 N ATOM 1521 CA GLN A 104 24.111 -0.768 12.861 1.00 0.00 C ATOM 1522 C GLN A 104 25.379 -1.452 12.359 1.00 0.00 C ATOM 1523 O GLN A 104 25.522 -2.670 12.466 1.00 0.00 O ATOM 1524 CB GLN A 104 23.604 -1.469 14.122 1.00 0.00 C ATOM 1525 CG GLN A 104 22.822 -0.556 15.053 1.00 0.00 C ATOM 1526 CD GLN A 104 23.698 0.489 15.715 1.00 0.00 C ATOM 1527 OE1 GLN A 104 24.530 0.170 16.565 1.00 0.00 O ATOM 1528 NE2 GLN A 104 23.515 1.746 15.328 1.00 0.00 N ATOM 0 H GLN A 104 22.235 -1.284 12.079 1.00 0.00 H new ATOM 0 HA GLN A 104 24.349 0.268 13.102 1.00 0.00 H new ATOM 0 HB2 GLN A 104 22.970 -2.307 13.832 1.00 0.00 H new ATOM 0 HB3 GLN A 104 24.454 -1.884 14.663 1.00 0.00 H new ATOM 0 HG2 GLN A 104 22.032 -0.059 14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 104 22.336 -1.157 15.821 1.00 0.00 H new ATOM 0 HE21 GLN A 104 22.814 1.965 14.620 1.00 0.00 H new ATOM 0 HE22 GLN A 104 24.076 2.493 15.739 1.00 0.00 H new ATOM 1537 N ALA A 105 26.296 -0.661 11.812 1.00 0.00 N ATOM 1538 CA ALA A 105 27.552 -1.190 11.296 1.00 0.00 C ATOM 1539 C ALA A 105 28.252 -2.056 12.338 1.00 0.00 C ATOM 1540 O ALA A 105 28.889 -1.544 13.258 1.00 0.00 O ATOM 1541 CB ALA A 105 28.461 -0.053 10.853 1.00 0.00 C ATOM 0 H ALA A 105 26.192 0.349 11.715 1.00 0.00 H new ATOM 0 HA ALA A 105 27.327 -1.817 10.433 1.00 0.00 H new ATOM 0 HB1 ALA A 105 29.396 -0.463 10.470 1.00 0.00 H new ATOM 0 HB2 ALA A 105 27.968 0.522 10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 105 28.671 0.597 11.702 1.00 0.00 H new ATOM 1547 N GLY A 106 28.129 -3.371 12.187 1.00 0.00 N ATOM 1548 CA GLY A 106 28.755 -4.286 13.123 1.00 0.00 C ATOM 1549 C GLY A 106 28.300 -5.719 12.926 1.00 0.00 C ATOM 1550 O GLY A 106 27.103 -6.004 12.939 1.00 0.00 O ATOM 0 H GLY A 106 27.607 -3.819 11.434 1.00 0.00 H new ATOM 0 HA2 GLY A 106 29.838 -4.233 13.009 1.00 0.00 H new ATOM 0 HA3 GLY A 106 28.526 -3.972 14.141 1.00 0.00 H new ATOM 1554 N SER A 107 29.257 -6.622 12.740 1.00 0.00 N ATOM 1555 CA SER A 107 28.948 -8.032 12.533 1.00 0.00 C ATOM 1556 C SER A 107 30.107 -8.915 12.987 1.00 0.00 C ATOM 1557 O SER A 107 31.267 -8.509 12.936 1.00 0.00 O ATOM 1558 CB SER A 107 28.637 -8.297 11.059 1.00 0.00 C ATOM 1559 OG SER A 107 27.350 -7.814 10.714 1.00 0.00 O ATOM 0 H SER A 107 30.253 -6.402 12.728 1.00 0.00 H new ATOM 0 HA SER A 107 28.071 -8.278 13.132 1.00 0.00 H new ATOM 0 HB2 SER A 107 29.389 -7.816 10.433 1.00 0.00 H new ATOM 0 HB3 SER A 107 28.693 -9.367 10.859 1.00 0.00 H new ATOM 0 HG SER A 107 27.040 -7.189 11.402 1.00 0.00 H new ATOM 1565 N GLY A 108 29.782 -10.125 13.430 1.00 0.00 N ATOM 1566 CA GLY A 108 30.805 -11.047 13.887 1.00 0.00 C ATOM 1567 C GLY A 108 30.321 -12.483 13.916 1.00 0.00 C ATOM 1568 O GLY A 108 29.146 -12.760 14.159 1.00 0.00 O ATOM 0 H GLY A 108 28.828 -10.483 13.481 1.00 0.00 H new ATOM 0 HA2 GLY A 108 31.674 -10.973 13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 108 31.131 -10.757 14.886 1.00 0.00 H new ATOM 1572 N PRO A 109 31.240 -13.427 13.663 1.00 0.00 N ATOM 1573 CA PRO A 109 30.923 -14.858 13.654 1.00 0.00 C ATOM 1574 C PRO A 109 30.616 -15.393 15.048 1.00 0.00 C ATOM 1575 O PRO A 109 31.521 -15.779 15.788 1.00 0.00 O ATOM 1576 CB PRO A 109 32.198 -15.501 13.103 1.00 0.00 C ATOM 1577 CG PRO A 109 33.283 -14.536 13.438 1.00 0.00 C ATOM 1578 CD PRO A 109 32.659 -13.170 13.366 1.00 0.00 C ATOM 0 HA PRO A 109 30.032 -15.074 13.065 1.00 0.00 H new ATOM 0 HB2 PRO A 109 32.379 -16.475 13.558 1.00 0.00 H new ATOM 0 HB3 PRO A 109 32.128 -15.660 12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 109 33.684 -14.730 14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 109 34.113 -14.623 12.737 1.00 0.00 H new ATOM 0 HD2 PRO A 109 33.104 -12.487 14.089 1.00 0.00 H new ATOM 0 HD3 PRO A 109 32.788 -12.720 12.381 1.00 0.00 H new ATOM 1586 N SER A 110 29.335 -15.412 15.401 1.00 0.00 N ATOM 1587 CA SER A 110 28.909 -15.897 16.709 1.00 0.00 C ATOM 1588 C SER A 110 29.271 -17.368 16.888 1.00 0.00 C ATOM 1589 O SER A 110 28.594 -18.253 16.363 1.00 0.00 O ATOM 1590 CB SER A 110 27.401 -15.706 16.882 1.00 0.00 C ATOM 1591 OG SER A 110 26.945 -16.304 18.082 1.00 0.00 O ATOM 0 H SER A 110 28.574 -15.097 14.800 1.00 0.00 H new ATOM 0 HA SER A 110 29.431 -15.317 17.471 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.165 -14.642 16.890 1.00 0.00 H new ATOM 0 HB3 SER A 110 26.876 -16.143 16.032 1.00 0.00 H new ATOM 0 HG SER A 110 25.979 -16.166 18.169 1.00 0.00 H new ATOM 1597 N SER A 111 30.343 -17.622 17.632 1.00 0.00 N ATOM 1598 CA SER A 111 30.798 -18.986 17.877 1.00 0.00 C ATOM 1599 C SER A 111 31.084 -19.204 19.359 1.00 0.00 C ATOM 1600 O SER A 111 31.278 -18.252 20.113 1.00 0.00 O ATOM 1601 CB SER A 111 32.053 -19.282 17.054 1.00 0.00 C ATOM 1602 OG SER A 111 33.160 -18.533 17.525 1.00 0.00 O ATOM 0 H SER A 111 30.913 -16.901 18.076 1.00 0.00 H new ATOM 0 HA SER A 111 30.004 -19.669 17.574 1.00 0.00 H new ATOM 0 HB2 SER A 111 32.282 -20.346 17.105 1.00 0.00 H new ATOM 0 HB3 SER A 111 31.869 -19.045 16.006 1.00 0.00 H new ATOM 0 HG SER A 111 33.950 -18.741 16.984 1.00 0.00 H new ATOM 1608 N GLY A 112 31.107 -20.469 19.771 1.00 0.00 N ATOM 1609 CA GLY A 112 31.370 -20.791 21.161 1.00 0.00 C ATOM 1610 C GLY A 112 32.802 -20.498 21.564 1.00 0.00 C ATOM 1611 O GLY A 112 33.549 -21.406 21.929 1.00 0.00 O ATOM 0 H GLY A 112 30.948 -21.275 19.167 1.00 0.00 H new ATOM 0 HA2 GLY A 112 30.693 -20.221 21.797 1.00 0.00 H new ATOM 0 HA3 GLY A 112 31.156 -21.846 21.333 1.00 0.00 H new TER 1615 GLY A 112