USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 47 LYS NZ :NH3+ -138:sc= 0.894 (180deg=0.135) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 56 TYR OH : rot 60:sc= 0.696 USER MOD Set 3.1: A 19 GLN : amide:sc= -0.116 K(o=-0.21,f=-1.6!) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.0972 X(o=-0.21,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ 173:sc= 0 (180deg=-0.0758) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0395 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 48:sc= 0.227 USER MOD Single : A 11 SER OG : rot -56:sc= 0.552 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc=0.000263 USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00952) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.0021) USER MOD Single : A 48 THR OG1 : rot 42:sc= 1.11 USER MOD Single : A 62 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.0176 (180deg=-0.247) USER MOD Single : A 67 HIS : no HD1:sc= -0.505 K(o=-0.51,f=-1.8) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0055 USER MOD Single : A 76 TYR OH : rot 101:sc= 1.11 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 19:sc= -1.72 USER MOD Single : A 83 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-4.4!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0911 USER MOD Single : A 100 SER OG : rot -61:sc= 1.1 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0294 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.230 -3.493 22.731 1.00 0.00 N ATOM 2 CA GLY A 1 38.702 -3.681 24.110 1.00 0.00 C ATOM 3 C GLY A 1 37.189 -3.789 24.142 1.00 0.00 C ATOM 4 O GLY A 1 36.545 -3.300 25.070 1.00 0.00 O ATOM 0 H1 GLY A 1 40.252 -3.307 22.773 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.058 -4.354 22.173 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.749 -2.687 22.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.137 -4.582 24.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 39.017 -2.844 24.734 1.00 0.00 H new ATOM 10 N SER A 2 36.623 -4.427 23.124 1.00 0.00 N ATOM 11 CA SER A 2 35.177 -4.596 23.036 1.00 0.00 C ATOM 12 C SER A 2 34.717 -5.793 23.861 1.00 0.00 C ATOM 13 O SER A 2 35.314 -6.867 23.804 1.00 0.00 O ATOM 14 CB SER A 2 34.752 -4.775 21.578 1.00 0.00 C ATOM 15 OG SER A 2 35.716 -5.519 20.853 1.00 0.00 O ATOM 0 H SER A 2 37.143 -4.836 22.348 1.00 0.00 H new ATOM 0 HA SER A 2 34.707 -3.698 23.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.789 -5.284 21.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.617 -3.799 21.113 1.00 0.00 H new ATOM 0 HG SER A 2 35.420 -5.621 19.924 1.00 0.00 H new ATOM 21 N SER A 3 33.647 -5.599 24.626 1.00 0.00 N ATOM 22 CA SER A 3 33.101 -6.663 25.462 1.00 0.00 C ATOM 23 C SER A 3 31.656 -6.963 25.080 1.00 0.00 C ATOM 24 O SER A 3 31.291 -8.115 24.846 1.00 0.00 O ATOM 25 CB SER A 3 33.181 -6.270 26.939 1.00 0.00 C ATOM 26 OG SER A 3 33.140 -4.863 27.096 1.00 0.00 O ATOM 0 H SER A 3 33.141 -4.715 24.684 1.00 0.00 H new ATOM 0 HA SER A 3 33.695 -7.562 25.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.354 -6.724 27.484 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.101 -6.661 27.373 1.00 0.00 H new ATOM 0 HG SER A 3 33.191 -4.639 28.049 1.00 0.00 H new ATOM 32 N GLY A 4 30.837 -5.917 25.020 1.00 0.00 N ATOM 33 CA GLY A 4 29.441 -6.088 24.664 1.00 0.00 C ATOM 34 C GLY A 4 29.116 -5.513 23.300 1.00 0.00 C ATOM 35 O GLY A 4 28.948 -4.302 23.153 1.00 0.00 O ATOM 0 H GLY A 4 31.116 -4.955 25.212 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.194 -7.150 24.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.816 -5.607 25.416 1.00 0.00 H new ATOM 39 N SER A 5 29.031 -6.382 22.297 1.00 0.00 N ATOM 40 CA SER A 5 28.727 -5.952 20.938 1.00 0.00 C ATOM 41 C SER A 5 28.393 -7.147 20.050 1.00 0.00 C ATOM 42 O SER A 5 28.722 -7.161 18.863 1.00 0.00 O ATOM 43 CB SER A 5 29.908 -5.180 20.349 1.00 0.00 C ATOM 44 OG SER A 5 31.132 -5.850 20.599 1.00 0.00 O ATOM 0 H SER A 5 29.168 -7.387 22.401 1.00 0.00 H new ATOM 0 HA SER A 5 27.857 -5.297 20.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.768 -5.060 19.275 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.943 -4.179 20.780 1.00 0.00 H new ATOM 0 HG SER A 5 31.871 -5.337 20.211 1.00 0.00 H new ATOM 50 N SER A 6 27.739 -8.147 20.630 1.00 0.00 N ATOM 51 CA SER A 6 27.361 -9.345 19.888 1.00 0.00 C ATOM 52 C SER A 6 26.146 -9.077 19.005 1.00 0.00 C ATOM 53 O SER A 6 26.217 -9.197 17.783 1.00 0.00 O ATOM 54 CB SER A 6 27.062 -10.495 20.852 1.00 0.00 C ATOM 55 OG SER A 6 26.619 -11.645 20.152 1.00 0.00 O ATOM 0 H SER A 6 27.460 -8.152 21.611 1.00 0.00 H new ATOM 0 HA SER A 6 28.198 -9.625 19.248 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.958 -10.736 21.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.300 -10.185 21.568 1.00 0.00 H new ATOM 0 HG SER A 6 26.436 -12.366 20.790 1.00 0.00 H new ATOM 61 N GLY A 7 25.033 -8.712 19.635 1.00 0.00 N ATOM 62 CA GLY A 7 23.819 -8.432 18.891 1.00 0.00 C ATOM 63 C GLY A 7 23.024 -9.685 18.584 1.00 0.00 C ATOM 64 O GLY A 7 22.616 -10.408 19.494 1.00 0.00 O ATOM 0 H GLY A 7 24.951 -8.605 20.646 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.198 -7.742 19.462 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.076 -7.931 17.958 1.00 0.00 H new ATOM 68 N LYS A 8 22.800 -9.943 17.299 1.00 0.00 N ATOM 69 CA LYS A 8 22.047 -11.117 16.875 1.00 0.00 C ATOM 70 C LYS A 8 22.547 -11.626 15.526 1.00 0.00 C ATOM 71 O LYS A 8 22.644 -10.866 14.563 1.00 0.00 O ATOM 72 CB LYS A 8 20.555 -10.789 16.789 1.00 0.00 C ATOM 73 CG LYS A 8 19.803 -11.031 18.087 1.00 0.00 C ATOM 74 CD LYS A 8 19.710 -12.514 18.409 1.00 0.00 C ATOM 75 CE LYS A 8 18.376 -12.863 19.047 1.00 0.00 C ATOM 76 NZ LYS A 8 18.338 -14.275 19.518 1.00 0.00 N ATOM 0 H LYS A 8 23.129 -9.354 16.534 1.00 0.00 H new ATOM 0 HA LYS A 8 22.197 -11.901 17.617 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.437 -9.745 16.500 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.104 -11.391 16.000 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.306 -10.511 18.902 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.800 -10.610 18.012 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.841 -13.094 17.496 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.521 -12.793 19.082 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.190 -12.195 19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.575 -12.699 18.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.411 -14.473 19.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.490 -14.914 18.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.086 -14.425 20.225 1.00 0.00 H new ATOM 90 N SER A 9 22.865 -12.915 15.467 1.00 0.00 N ATOM 91 CA SER A 9 23.356 -13.526 14.237 1.00 0.00 C ATOM 92 C SER A 9 23.180 -15.043 14.274 1.00 0.00 C ATOM 93 O SER A 9 23.982 -15.751 14.883 1.00 0.00 O ATOM 94 CB SER A 9 24.831 -13.178 14.026 1.00 0.00 C ATOM 95 OG SER A 9 25.580 -13.393 15.209 1.00 0.00 O ATOM 0 H SER A 9 22.792 -13.557 16.256 1.00 0.00 H new ATOM 0 HA SER A 9 22.772 -13.131 13.406 1.00 0.00 H new ATOM 0 HB2 SER A 9 25.239 -13.785 13.218 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.922 -12.136 13.719 1.00 0.00 H new ATOM 0 HG SER A 9 25.364 -14.275 15.577 1.00 0.00 H new ATOM 101 N PRO A 10 22.125 -15.566 13.624 1.00 0.00 N ATOM 102 CA PRO A 10 21.856 -17.009 13.592 1.00 0.00 C ATOM 103 C PRO A 10 22.903 -17.774 12.790 1.00 0.00 C ATOM 104 O PRO A 10 22.924 -17.715 11.561 1.00 0.00 O ATOM 105 CB PRO A 10 20.486 -17.105 12.914 1.00 0.00 C ATOM 106 CG PRO A 10 20.375 -15.861 12.103 1.00 0.00 C ATOM 107 CD PRO A 10 21.115 -14.800 12.870 1.00 0.00 C ATOM 0 HA PRO A 10 21.882 -17.449 14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 10 20.416 -17.994 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.684 -17.171 13.650 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.808 -16.001 11.113 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.332 -15.582 11.958 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.578 -14.072 12.204 1.00 0.00 H new ATOM 0 HD3 PRO A 10 20.451 -14.248 13.535 1.00 0.00 H new ATOM 115 N SER A 11 23.771 -18.493 13.495 1.00 0.00 N ATOM 116 CA SER A 11 24.821 -19.272 12.850 1.00 0.00 C ATOM 117 C SER A 11 24.621 -20.765 13.097 1.00 0.00 C ATOM 118 O SER A 11 25.568 -21.487 13.405 1.00 0.00 O ATOM 119 CB SER A 11 26.195 -18.837 13.366 1.00 0.00 C ATOM 120 OG SER A 11 27.236 -19.490 12.661 1.00 0.00 O ATOM 0 H SER A 11 23.768 -18.552 14.513 1.00 0.00 H new ATOM 0 HA SER A 11 24.768 -19.090 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 11 26.301 -17.757 13.260 1.00 0.00 H new ATOM 0 HB3 SER A 11 26.275 -19.062 14.429 1.00 0.00 H new ATOM 0 HG SER A 11 27.116 -20.460 12.725 1.00 0.00 H new ATOM 126 N SER A 12 23.380 -21.220 12.956 1.00 0.00 N ATOM 127 CA SER A 12 23.054 -22.626 13.162 1.00 0.00 C ATOM 128 C SER A 12 21.711 -22.975 12.525 1.00 0.00 C ATOM 129 O SER A 12 20.667 -22.882 13.170 1.00 0.00 O ATOM 130 CB SER A 12 23.021 -22.949 14.658 1.00 0.00 C ATOM 131 OG SER A 12 23.553 -24.238 14.913 1.00 0.00 O ATOM 0 H SER A 12 22.584 -20.635 12.700 1.00 0.00 H new ATOM 0 HA SER A 12 23.828 -23.226 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.592 -22.201 15.208 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.995 -22.897 15.022 1.00 0.00 H new ATOM 0 HG SER A 12 23.522 -24.420 15.875 1.00 0.00 H new ATOM 137 N PRO A 13 21.721 -23.383 11.243 1.00 0.00 N ATOM 138 CA PRO A 13 20.497 -23.747 10.522 1.00 0.00 C ATOM 139 C PRO A 13 19.649 -24.753 11.293 1.00 0.00 C ATOM 140 O PRO A 13 20.014 -25.923 11.415 1.00 0.00 O ATOM 141 CB PRO A 13 21.019 -24.369 9.226 1.00 0.00 C ATOM 142 CG PRO A 13 22.359 -23.751 9.024 1.00 0.00 C ATOM 143 CD PRO A 13 22.923 -23.523 10.399 1.00 0.00 C ATOM 0 HA PRO A 13 19.846 -22.887 10.365 1.00 0.00 H new ATOM 0 HB2 PRO A 13 21.091 -25.453 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 13 20.354 -24.156 8.389 1.00 0.00 H new ATOM 0 HG2 PRO A 13 23.006 -24.406 8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 13 22.277 -22.813 8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 13 23.545 -24.358 10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 13 23.545 -22.629 10.435 1.00 0.00 H new ATOM 151 N SER A 14 18.517 -24.291 11.813 1.00 0.00 N ATOM 152 CA SER A 14 17.619 -25.153 12.573 1.00 0.00 C ATOM 153 C SER A 14 16.161 -24.759 12.350 1.00 0.00 C ATOM 154 O SER A 14 15.304 -25.614 12.131 1.00 0.00 O ATOM 155 CB SER A 14 17.954 -25.083 14.064 1.00 0.00 C ATOM 156 OG SER A 14 17.212 -26.040 14.800 1.00 0.00 O ATOM 0 H SER A 14 18.200 -23.326 11.722 1.00 0.00 H new ATOM 0 HA SER A 14 17.756 -26.176 12.222 1.00 0.00 H new ATOM 0 HB2 SER A 14 19.020 -25.256 14.209 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.739 -24.083 14.441 1.00 0.00 H new ATOM 0 HG SER A 14 17.446 -25.975 15.750 1.00 0.00 H new ATOM 162 N LEU A 15 15.887 -23.459 12.409 1.00 0.00 N ATOM 163 CA LEU A 15 14.533 -22.954 12.215 1.00 0.00 C ATOM 164 C LEU A 15 14.455 -22.061 10.981 1.00 0.00 C ATOM 165 O LEU A 15 13.981 -22.482 9.927 1.00 0.00 O ATOM 166 CB LEU A 15 14.072 -22.180 13.452 1.00 0.00 C ATOM 167 CG LEU A 15 13.749 -23.042 14.674 1.00 0.00 C ATOM 168 CD1 LEU A 15 15.017 -23.366 15.448 1.00 0.00 C ATOM 169 CD2 LEU A 15 12.739 -22.340 15.569 1.00 0.00 C ATOM 0 H LEU A 15 16.585 -22.737 12.590 1.00 0.00 H new ATOM 0 HA LEU A 15 13.873 -23.808 12.063 1.00 0.00 H new ATOM 0 HB2 LEU A 15 14.849 -21.466 13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 15 13.186 -21.602 13.190 1.00 0.00 H new ATOM 0 HG LEU A 15 13.310 -23.978 14.330 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.768 -23.980 16.314 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.707 -23.910 14.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.486 -22.440 15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.521 -22.967 16.433 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.151 -21.389 15.906 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.821 -22.160 15.010 1.00 0.00 H new ATOM 181 N GLY A 16 14.927 -20.826 11.120 1.00 0.00 N ATOM 182 CA GLY A 16 14.902 -19.894 10.009 1.00 0.00 C ATOM 183 C GLY A 16 16.187 -19.919 9.204 1.00 0.00 C ATOM 184 O GLY A 16 17.090 -19.116 9.438 1.00 0.00 O ATOM 0 H GLY A 16 15.326 -20.455 11.982 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.063 -20.134 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.733 -18.886 10.388 1.00 0.00 H new ATOM 188 N SER A 17 16.270 -20.844 8.254 1.00 0.00 N ATOM 189 CA SER A 17 17.454 -20.972 7.412 1.00 0.00 C ATOM 190 C SER A 17 17.722 -19.678 6.650 1.00 0.00 C ATOM 191 O SER A 17 17.121 -18.642 6.936 1.00 0.00 O ATOM 192 CB SER A 17 17.284 -22.132 6.429 1.00 0.00 C ATOM 193 OG SER A 17 18.523 -22.772 6.175 1.00 0.00 O ATOM 0 H SER A 17 15.531 -21.516 8.048 1.00 0.00 H new ATOM 0 HA SER A 17 18.308 -21.175 8.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.574 -22.854 6.833 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.864 -21.762 5.494 1.00 0.00 H new ATOM 0 HG SER A 17 18.387 -23.511 5.545 1.00 0.00 H new ATOM 199 N LEU A 18 18.627 -19.744 5.678 1.00 0.00 N ATOM 200 CA LEU A 18 18.973 -18.577 4.876 1.00 0.00 C ATOM 201 C LEU A 18 19.013 -18.929 3.391 1.00 0.00 C ATOM 202 O LEU A 18 19.822 -18.391 2.636 1.00 0.00 O ATOM 203 CB LEU A 18 20.326 -18.011 5.320 1.00 0.00 C ATOM 204 CG LEU A 18 20.246 -16.841 6.302 1.00 0.00 C ATOM 205 CD1 LEU A 18 20.281 -17.345 7.736 1.00 0.00 C ATOM 206 CD2 LEU A 18 21.378 -15.857 6.052 1.00 0.00 C ATOM 0 H LEU A 18 19.133 -20.593 5.427 1.00 0.00 H new ATOM 0 HA LEU A 18 18.204 -17.820 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.905 -18.812 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.875 -17.687 4.436 1.00 0.00 H new ATOM 0 HG LEU A 18 19.300 -16.323 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.223 -16.499 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 18 19.435 -18.010 7.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.210 -17.888 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.305 -15.031 6.760 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.335 -16.363 6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.306 -15.471 5.035 1.00 0.00 H new ATOM 218 N GLN A 19 18.133 -19.835 2.979 1.00 0.00 N ATOM 219 CA GLN A 19 18.066 -20.258 1.586 1.00 0.00 C ATOM 220 C GLN A 19 17.765 -19.074 0.672 1.00 0.00 C ATOM 221 O GLN A 19 18.304 -18.975 -0.430 1.00 0.00 O ATOM 222 CB GLN A 19 16.999 -21.340 1.408 1.00 0.00 C ATOM 223 CG GLN A 19 17.424 -22.468 0.481 1.00 0.00 C ATOM 224 CD GLN A 19 17.092 -22.184 -0.971 1.00 0.00 C ATOM 225 OE1 GLN A 19 16.125 -21.486 -1.274 1.00 0.00 O ATOM 226 NE2 GLN A 19 17.896 -22.727 -1.878 1.00 0.00 N ATOM 0 H GLN A 19 17.456 -20.291 3.591 1.00 0.00 H new ATOM 0 HA GLN A 19 19.037 -20.669 1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.750 -21.757 2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 19 16.091 -20.882 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.497 -22.630 0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.933 -23.391 0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.687 -23.299 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.723 -22.572 -2.871 1.00 0.00 H new ATOM 235 N GLN A 20 16.902 -18.177 1.138 1.00 0.00 N ATOM 236 CA GLN A 20 16.529 -17.000 0.364 1.00 0.00 C ATOM 237 C GLN A 20 16.575 -15.745 1.229 1.00 0.00 C ATOM 238 O GLN A 20 16.268 -15.788 2.420 1.00 0.00 O ATOM 239 CB GLN A 20 15.131 -17.176 -0.233 1.00 0.00 C ATOM 240 CG GLN A 20 15.142 -17.573 -1.700 1.00 0.00 C ATOM 241 CD GLN A 20 13.965 -18.453 -2.075 1.00 0.00 C ATOM 242 OE1 GLN A 20 13.162 -18.101 -2.937 1.00 0.00 O ATOM 243 NE2 GLN A 20 13.860 -19.606 -1.426 1.00 0.00 N ATOM 0 H GLN A 20 16.448 -18.244 2.049 1.00 0.00 H new ATOM 0 HA GLN A 20 17.248 -16.886 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.595 -17.935 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.577 -16.244 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 20 15.129 -16.674 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 20 16.070 -18.099 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.550 -19.857 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.089 -20.241 -1.635 1.00 0.00 H new ATOM 252 N ARG A 21 16.960 -14.627 0.623 1.00 0.00 N ATOM 253 CA ARG A 21 17.047 -13.358 1.338 1.00 0.00 C ATOM 254 C ARG A 21 16.018 -12.363 0.810 1.00 0.00 C ATOM 255 O ARG A 21 16.305 -11.174 0.672 1.00 0.00 O ATOM 256 CB ARG A 21 18.456 -12.773 1.209 1.00 0.00 C ATOM 257 CG ARG A 21 18.852 -12.456 -0.223 1.00 0.00 C ATOM 258 CD ARG A 21 20.069 -11.546 -0.277 1.00 0.00 C ATOM 259 NE ARG A 21 21.177 -12.066 0.522 1.00 0.00 N ATOM 260 CZ ARG A 21 22.254 -11.355 0.845 1.00 0.00 C ATOM 261 NH1 ARG A 21 22.374 -10.096 0.442 1.00 0.00 N ATOM 262 NH2 ARG A 21 23.216 -11.905 1.574 1.00 0.00 N ATOM 0 H ARG A 21 17.217 -14.573 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 21 16.834 -13.546 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 21 18.519 -11.862 1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 21 19.173 -13.478 1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 21 19.065 -13.383 -0.756 1.00 0.00 H new ATOM 0 HG3 ARG A 21 18.017 -11.979 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 21 20.391 -11.432 -1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 21 19.796 -10.554 0.083 1.00 0.00 H new ATOM 0 HE ARG A 21 21.121 -13.030 0.851 1.00 0.00 H new ATOM 0 HH11 ARG A 21 21.638 -9.668 -0.119 1.00 0.00 H new ATOM 0 HH12 ARG A 21 23.203 -9.557 0.693 1.00 0.00 H new ATOM 0 HH21 ARG A 21 23.130 -12.872 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 21 24.042 -11.361 1.822 1.00 0.00 H new ATOM 276 N GLU A 22 14.820 -12.858 0.519 1.00 0.00 N ATOM 277 CA GLU A 22 13.748 -12.011 0.008 1.00 0.00 C ATOM 278 C GLU A 22 12.693 -11.761 1.081 1.00 0.00 C ATOM 279 O GLU A 22 12.793 -12.276 2.195 1.00 0.00 O ATOM 280 CB GLU A 22 13.100 -12.656 -1.219 1.00 0.00 C ATOM 281 CG GLU A 22 13.807 -12.325 -2.523 1.00 0.00 C ATOM 282 CD GLU A 22 13.158 -12.987 -3.722 1.00 0.00 C ATOM 283 OE1 GLU A 22 13.364 -14.205 -3.912 1.00 0.00 O ATOM 284 OE2 GLU A 22 12.442 -12.289 -4.471 1.00 0.00 O ATOM 0 H GLU A 22 14.567 -13.840 0.628 1.00 0.00 H new ATOM 0 HA GLU A 22 14.182 -11.054 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.087 -13.738 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.062 -12.330 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.810 -11.244 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.848 -12.641 -2.458 1.00 0.00 H new ATOM 291 N GLY A 23 11.685 -10.967 0.738 1.00 0.00 N ATOM 292 CA GLY A 23 10.627 -10.661 1.683 1.00 0.00 C ATOM 293 C GLY A 23 9.650 -9.634 1.148 1.00 0.00 C ATOM 294 O GLY A 23 9.026 -9.843 0.108 1.00 0.00 O ATOM 0 H GLY A 23 11.581 -10.530 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.089 -11.576 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.067 -10.291 2.609 1.00 0.00 H new ATOM 298 N ALA A 24 9.517 -8.519 1.860 1.00 0.00 N ATOM 299 CA ALA A 24 8.609 -7.454 1.451 1.00 0.00 C ATOM 300 C ALA A 24 9.380 -6.235 0.957 1.00 0.00 C ATOM 301 O ALA A 24 10.306 -5.764 1.618 1.00 0.00 O ATOM 302 CB ALA A 24 7.693 -7.072 2.603 1.00 0.00 C ATOM 0 H ALA A 24 10.027 -8.330 2.723 1.00 0.00 H new ATOM 0 HA ALA A 24 8.001 -7.824 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.020 -6.276 2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.109 -7.941 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.292 -6.725 3.445 1.00 0.00 H new ATOM 308 N LYS A 25 8.991 -5.728 -0.208 1.00 0.00 N ATOM 309 CA LYS A 25 9.647 -4.562 -0.790 1.00 0.00 C ATOM 310 C LYS A 25 9.317 -3.301 0.002 1.00 0.00 C ATOM 311 O LYS A 25 10.154 -2.410 0.148 1.00 0.00 O ATOM 312 CB LYS A 25 9.222 -4.389 -2.251 1.00 0.00 C ATOM 313 CG LYS A 25 10.378 -4.075 -3.187 1.00 0.00 C ATOM 314 CD LYS A 25 9.888 -3.487 -4.500 1.00 0.00 C ATOM 315 CE LYS A 25 10.824 -2.402 -5.008 1.00 0.00 C ATOM 316 NZ LYS A 25 12.181 -2.936 -5.312 1.00 0.00 N ATOM 0 H LYS A 25 8.226 -6.105 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 25 10.724 -4.722 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.730 -5.301 -2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.486 -3.588 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.058 -3.373 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.946 -4.985 -3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.807 -4.277 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.889 -3.073 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.402 -1.950 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.904 -1.612 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.763 -2.185 -5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.628 -3.268 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.100 -3.729 -5.980 1.00 0.00 H new ATOM 330 N ALA A 26 8.091 -3.231 0.510 1.00 0.00 N ATOM 331 CA ALA A 26 7.650 -2.080 1.287 1.00 0.00 C ATOM 332 C ALA A 26 6.829 -2.516 2.495 1.00 0.00 C ATOM 333 O ALA A 26 6.662 -3.709 2.748 1.00 0.00 O ATOM 334 CB ALA A 26 6.844 -1.131 0.414 1.00 0.00 C ATOM 0 H ALA A 26 7.385 -3.959 0.397 1.00 0.00 H new ATOM 0 HA ALA A 26 8.535 -1.558 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.521 -0.276 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.462 -0.785 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.970 -1.651 0.022 1.00 0.00 H new ATOM 340 N GLU A 27 6.318 -1.542 3.241 1.00 0.00 N ATOM 341 CA GLU A 27 5.513 -1.825 4.424 1.00 0.00 C ATOM 342 C GLU A 27 4.455 -0.747 4.633 1.00 0.00 C ATOM 343 O GLU A 27 4.438 0.265 3.933 1.00 0.00 O ATOM 344 CB GLU A 27 6.406 -1.927 5.662 1.00 0.00 C ATOM 345 CG GLU A 27 7.174 -3.236 5.751 1.00 0.00 C ATOM 346 CD GLU A 27 7.275 -3.756 7.172 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.226 -3.363 7.881 1.00 0.00 O ATOM 348 OE2 GLU A 27 6.404 -4.555 7.576 1.00 0.00 O ATOM 0 H GLU A 27 6.447 -0.549 3.047 1.00 0.00 H new ATOM 0 HA GLU A 27 5.008 -2.779 4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.115 -1.099 5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.790 -1.815 6.554 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.684 -3.984 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.177 -3.093 5.348 1.00 0.00 H new ATOM 355 N VAL A 28 3.573 -0.970 5.603 1.00 0.00 N ATOM 356 CA VAL A 28 2.512 -0.018 5.905 1.00 0.00 C ATOM 357 C VAL A 28 3.074 1.242 6.555 1.00 0.00 C ATOM 358 O VAL A 28 3.529 1.213 7.698 1.00 0.00 O ATOM 359 CB VAL A 28 1.454 -0.634 6.838 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.260 0.298 6.982 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.016 -1.996 6.324 1.00 0.00 C ATOM 0 H VAL A 28 3.573 -1.802 6.193 1.00 0.00 H new ATOM 0 HA VAL A 28 2.042 0.243 4.957 1.00 0.00 H new ATOM 0 HB VAL A 28 1.901 -0.769 7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.477 -0.155 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.589 1.249 7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.189 0.468 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.268 -2.415 6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.588 -1.888 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.878 -2.662 6.279 1.00 0.00 H new ATOM 371 N GLY A 29 3.037 2.348 5.818 1.00 0.00 N ATOM 372 CA GLY A 29 3.545 3.604 6.339 1.00 0.00 C ATOM 373 C GLY A 29 4.783 4.078 5.605 1.00 0.00 C ATOM 374 O GLY A 29 5.691 4.649 6.209 1.00 0.00 O ATOM 0 H GLY A 29 2.664 2.397 4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.768 4.365 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.776 3.487 7.398 1.00 0.00 H new ATOM 378 N ASP A 30 4.821 3.840 4.298 1.00 0.00 N ATOM 379 CA ASP A 30 5.957 4.246 3.480 1.00 0.00 C ATOM 380 C ASP A 30 5.516 4.553 2.051 1.00 0.00 C ATOM 381 O ASP A 30 4.703 3.834 1.474 1.00 0.00 O ATOM 382 CB ASP A 30 7.025 3.151 3.473 1.00 0.00 C ATOM 383 CG ASP A 30 8.119 3.405 4.493 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.541 4.572 4.631 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.551 2.437 5.153 1.00 0.00 O ATOM 0 H ASP A 30 4.078 3.368 3.783 1.00 0.00 H new ATOM 0 HA ASP A 30 6.380 5.152 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.556 2.189 3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.467 3.084 2.479 1.00 0.00 H new ATOM 390 N GLN A 31 6.059 5.629 1.489 1.00 0.00 N ATOM 391 CA GLN A 31 5.722 6.032 0.128 1.00 0.00 C ATOM 392 C GLN A 31 6.144 4.964 -0.875 1.00 0.00 C ATOM 393 O GLN A 31 7.264 4.457 -0.824 1.00 0.00 O ATOM 394 CB GLN A 31 6.393 7.363 -0.213 1.00 0.00 C ATOM 395 CG GLN A 31 5.560 8.579 0.159 1.00 0.00 C ATOM 396 CD GLN A 31 6.319 9.568 1.022 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.172 9.585 2.243 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.138 10.398 0.388 1.00 0.00 N ATOM 0 H GLN A 31 6.733 6.237 1.954 1.00 0.00 H new ATOM 0 HA GLN A 31 4.640 6.153 0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.352 7.419 0.302 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.603 7.391 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.227 9.078 -0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.665 8.253 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.229 10.349 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.676 11.085 0.916 1.00 0.00 H new ATOM 407 N VAL A 32 5.239 4.626 -1.788 1.00 0.00 N ATOM 408 CA VAL A 32 5.517 3.618 -2.804 1.00 0.00 C ATOM 409 C VAL A 32 5.096 4.101 -4.188 1.00 0.00 C ATOM 410 O VAL A 32 4.573 5.205 -4.338 1.00 0.00 O ATOM 411 CB VAL A 32 4.796 2.293 -2.494 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.441 1.597 -1.306 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.316 2.539 -2.238 1.00 0.00 C ATOM 0 H VAL A 32 4.307 5.036 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 32 6.594 3.448 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 32 4.889 1.639 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.917 0.663 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.486 1.385 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.383 2.243 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.822 1.592 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.201 3.212 -1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.864 2.990 -3.122 1.00 0.00 H new ATOM 423 N LEU A 33 5.328 3.266 -5.196 1.00 0.00 N ATOM 424 CA LEU A 33 4.972 3.606 -6.568 1.00 0.00 C ATOM 425 C LEU A 33 4.404 2.394 -7.299 1.00 0.00 C ATOM 426 O LEU A 33 5.148 1.520 -7.743 1.00 0.00 O ATOM 427 CB LEU A 33 6.195 4.142 -7.316 1.00 0.00 C ATOM 428 CG LEU A 33 5.913 4.678 -8.719 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.946 5.851 -8.659 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.210 5.090 -9.401 1.00 0.00 C ATOM 0 H LEU A 33 5.761 2.349 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 33 4.206 4.380 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.644 4.939 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.934 3.345 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 33 5.452 3.883 -9.305 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.757 6.219 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.007 5.526 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.379 6.649 -8.057 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.992 5.469 -10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.698 5.869 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.871 4.227 -9.478 1.00 0.00 H new ATOM 442 N VAL A 34 3.081 2.348 -7.420 1.00 0.00 N ATOM 443 CA VAL A 34 2.413 1.242 -8.096 1.00 0.00 C ATOM 444 C VAL A 34 2.623 1.311 -9.604 1.00 0.00 C ATOM 445 O VAL A 34 2.370 2.340 -10.231 1.00 0.00 O ATOM 446 CB VAL A 34 0.901 1.235 -7.800 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.256 -0.030 -8.347 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.650 1.368 -6.306 1.00 0.00 C ATOM 0 H VAL A 34 2.451 3.064 -7.059 1.00 0.00 H new ATOM 0 HA VAL A 34 2.856 0.323 -7.712 1.00 0.00 H new ATOM 0 HB VAL A 34 0.447 2.091 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.812 -0.018 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.405 -0.077 -9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.712 -0.902 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.423 1.361 -6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.117 0.533 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.076 2.305 -5.947 1.00 0.00 H new ATOM 458 N ALA A 35 3.088 0.207 -10.182 1.00 0.00 N ATOM 459 CA ALA A 35 3.332 0.139 -11.618 1.00 0.00 C ATOM 460 C ALA A 35 4.317 1.217 -12.064 1.00 0.00 C ATOM 461 O ALA A 35 4.311 1.635 -13.222 1.00 0.00 O ATOM 462 CB ALA A 35 2.023 0.271 -12.382 1.00 0.00 C ATOM 0 H ALA A 35 3.303 -0.653 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 35 3.775 -0.832 -11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.220 0.219 -13.453 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.352 -0.539 -12.096 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.558 1.228 -12.145 1.00 0.00 H new ATOM 468 N GLY A 36 5.162 1.662 -11.139 1.00 0.00 N ATOM 469 CA GLY A 36 6.140 2.687 -11.460 1.00 0.00 C ATOM 470 C GLY A 36 5.505 3.944 -12.022 1.00 0.00 C ATOM 471 O GLY A 36 6.129 4.670 -12.796 1.00 0.00 O ATOM 0 H GLY A 36 5.187 1.332 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.704 2.940 -10.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.853 2.290 -12.183 1.00 0.00 H new ATOM 475 N GLN A 37 4.259 4.200 -11.635 1.00 0.00 N ATOM 476 CA GLN A 37 3.540 5.377 -12.108 1.00 0.00 C ATOM 477 C GLN A 37 2.758 6.031 -10.973 1.00 0.00 C ATOM 478 O GLN A 37 3.131 7.098 -10.483 1.00 0.00 O ATOM 479 CB GLN A 37 2.590 4.998 -13.245 1.00 0.00 C ATOM 480 CG GLN A 37 3.301 4.478 -14.484 1.00 0.00 C ATOM 481 CD GLN A 37 2.403 3.618 -15.352 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.563 2.400 -15.415 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.452 4.252 -16.029 1.00 0.00 N ATOM 0 H GLN A 37 3.727 3.609 -10.996 1.00 0.00 H new ATOM 0 HA GLN A 37 4.273 6.093 -12.480 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.895 4.237 -12.889 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.995 5.870 -13.517 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.667 5.321 -15.070 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.173 3.897 -14.182 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.356 5.264 -15.947 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.818 3.727 -16.631 1.00 0.00 H new ATOM 492 N LYS A 38 1.672 5.387 -10.560 1.00 0.00 N ATOM 493 CA LYS A 38 0.838 5.906 -9.483 1.00 0.00 C ATOM 494 C LYS A 38 1.568 5.837 -8.146 1.00 0.00 C ATOM 495 O LYS A 38 1.822 4.753 -7.621 1.00 0.00 O ATOM 496 CB LYS A 38 -0.474 5.123 -9.402 1.00 0.00 C ATOM 497 CG LYS A 38 -1.196 5.008 -10.735 1.00 0.00 C ATOM 498 CD LYS A 38 -1.448 3.556 -11.112 1.00 0.00 C ATOM 499 CE LYS A 38 -2.558 3.433 -12.144 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.669 2.047 -12.677 1.00 0.00 N ATOM 0 H LYS A 38 1.349 4.504 -10.955 1.00 0.00 H new ATOM 0 HA LYS A 38 0.617 6.951 -9.701 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.268 4.122 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.133 5.608 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.145 5.541 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.603 5.489 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.532 3.117 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.714 2.988 -10.220 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.506 3.726 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.368 4.124 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.437 2.005 -13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.773 1.776 -13.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.875 1.391 -11.897 1.00 0.00 H new ATOM 514 N GLN A 39 1.905 7.003 -7.603 1.00 0.00 N ATOM 515 CA GLN A 39 2.607 7.075 -6.326 1.00 0.00 C ATOM 516 C GLN A 39 1.622 7.218 -5.171 1.00 0.00 C ATOM 517 O GLN A 39 0.730 8.065 -5.204 1.00 0.00 O ATOM 518 CB GLN A 39 3.586 8.250 -6.326 1.00 0.00 C ATOM 519 CG GLN A 39 4.461 8.311 -5.084 1.00 0.00 C ATOM 520 CD GLN A 39 4.382 9.651 -4.377 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.401 10.295 -4.127 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.167 10.077 -4.051 1.00 0.00 N ATOM 0 H GLN A 39 1.704 7.909 -8.026 1.00 0.00 H new ATOM 0 HA GLN A 39 3.163 6.147 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.224 8.181 -7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.025 9.180 -6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.161 7.523 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.496 8.113 -5.364 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.350 9.510 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.051 10.971 -3.574 1.00 0.00 H new ATOM 531 N GLY A 40 1.789 6.384 -4.150 1.00 0.00 N ATOM 532 CA GLY A 40 0.908 6.433 -2.999 1.00 0.00 C ATOM 533 C GLY A 40 1.585 5.957 -1.729 1.00 0.00 C ATOM 534 O GLY A 40 2.797 5.740 -1.706 1.00 0.00 O ATOM 0 H GLY A 40 2.520 5.674 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.556 7.455 -2.858 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.030 5.817 -3.191 1.00 0.00 H new ATOM 538 N ILE A 41 0.800 5.794 -0.668 1.00 0.00 N ATOM 539 CA ILE A 41 1.329 5.340 0.613 1.00 0.00 C ATOM 540 C ILE A 41 0.615 4.080 1.088 1.00 0.00 C ATOM 541 O ILE A 41 -0.614 4.010 1.079 1.00 0.00 O ATOM 542 CB ILE A 41 1.197 6.430 1.693 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.721 7.767 1.169 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.941 6.020 2.955 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.384 8.941 2.062 1.00 0.00 C ATOM 0 H ILE A 41 -0.205 5.970 -0.671 1.00 0.00 H new ATOM 0 HA ILE A 41 2.385 5.118 0.458 1.00 0.00 H new ATOM 0 HB ILE A 41 0.142 6.548 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.803 7.705 1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.308 7.946 0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.838 6.801 3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.523 5.089 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.996 5.876 2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.787 9.856 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.301 9.029 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.820 8.785 3.049 1.00 0.00 H new ATOM 557 N VAL A 42 1.392 3.085 1.501 1.00 0.00 N ATOM 558 CA VAL A 42 0.834 1.826 1.980 1.00 0.00 C ATOM 559 C VAL A 42 -0.076 2.051 3.182 1.00 0.00 C ATOM 560 O VAL A 42 0.322 2.671 4.168 1.00 0.00 O ATOM 561 CB VAL A 42 1.943 0.831 2.370 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.352 -0.537 2.679 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.985 0.733 1.266 1.00 0.00 C ATOM 0 H VAL A 42 2.411 3.126 1.514 1.00 0.00 H new ATOM 0 HA VAL A 42 0.252 1.406 1.159 1.00 0.00 H new ATOM 0 HB VAL A 42 2.434 1.199 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.152 -1.225 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.649 -0.451 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.832 -0.916 1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.761 0.025 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.510 0.390 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.432 1.713 1.100 1.00 0.00 H new ATOM 573 N ARG A 43 -1.301 1.542 3.093 1.00 0.00 N ATOM 574 CA ARG A 43 -2.270 1.687 4.174 1.00 0.00 C ATOM 575 C ARG A 43 -2.558 0.341 4.832 1.00 0.00 C ATOM 576 O ARG A 43 -2.640 0.242 6.056 1.00 0.00 O ATOM 577 CB ARG A 43 -3.569 2.296 3.644 1.00 0.00 C ATOM 578 CG ARG A 43 -3.365 3.588 2.871 1.00 0.00 C ATOM 579 CD ARG A 43 -3.195 4.775 3.806 1.00 0.00 C ATOM 580 NE ARG A 43 -4.438 5.525 3.969 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.668 6.372 4.970 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.743 6.578 5.899 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.827 7.014 5.041 1.00 0.00 N ATOM 0 H ARG A 43 -1.646 1.026 2.284 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.843 2.353 4.923 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.063 1.570 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.240 2.486 4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.486 3.497 2.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.218 3.759 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.853 4.424 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.421 5.436 3.416 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.173 5.392 3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.851 6.086 5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.924 7.228 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.541 6.858 4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.004 7.663 5.808 1.00 0.00 H new ATOM 597 N PHE A 44 -2.709 -0.693 4.011 1.00 0.00 N ATOM 598 CA PHE A 44 -2.989 -2.033 4.513 1.00 0.00 C ATOM 599 C PHE A 44 -2.187 -3.080 3.748 1.00 0.00 C ATOM 600 O PHE A 44 -2.409 -3.300 2.558 1.00 0.00 O ATOM 601 CB PHE A 44 -4.484 -2.339 4.402 1.00 0.00 C ATOM 602 CG PHE A 44 -4.877 -3.649 5.023 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.765 -4.830 4.307 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.358 -3.698 6.320 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.128 -6.037 4.875 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.721 -4.902 6.894 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.606 -6.073 6.171 1.00 0.00 C ATOM 0 H PHE A 44 -2.642 -0.629 2.995 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.693 -2.070 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.047 -1.537 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.768 -2.346 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.390 -4.807 3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.451 -2.785 6.890 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.038 -6.951 4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.094 -4.927 7.907 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.889 -7.015 6.618 1.00 0.00 H new ATOM 617 N TYR A 45 -1.251 -3.723 4.440 1.00 0.00 N ATOM 618 CA TYR A 45 -0.415 -4.748 3.826 1.00 0.00 C ATOM 619 C TYR A 45 -0.714 -6.122 4.417 1.00 0.00 C ATOM 620 O TYR A 45 -0.896 -6.262 5.627 1.00 0.00 O ATOM 621 CB TYR A 45 1.065 -4.409 4.016 1.00 0.00 C ATOM 622 CG TYR A 45 2.005 -5.407 3.376 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.900 -5.722 2.027 1.00 0.00 C ATOM 624 CD2 TYR A 45 2.995 -6.034 4.121 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.756 -6.634 1.438 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.856 -6.945 3.539 1.00 0.00 C ATOM 627 CZ TYR A 45 3.731 -7.242 2.199 1.00 0.00 C ATOM 628 OH TYR A 45 4.586 -8.151 1.616 1.00 0.00 O ATOM 0 H TYR A 45 -1.053 -3.552 5.426 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.641 -4.775 2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.259 -3.421 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.281 -4.352 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.137 -5.247 1.428 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.094 -5.806 5.172 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.661 -6.869 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.623 -7.422 4.131 1.00 0.00 H new ATOM 0 HH TYR A 45 4.714 -7.921 0.672 1.00 0.00 H new ATOM 638 N GLY A 46 -0.764 -7.134 3.556 1.00 0.00 N ATOM 639 CA GLY A 46 -1.040 -8.482 4.011 1.00 0.00 C ATOM 640 C GLY A 46 -1.693 -9.334 2.939 1.00 0.00 C ATOM 641 O GLY A 46 -1.761 -8.937 1.777 1.00 0.00 O ATOM 0 H GLY A 46 -0.618 -7.043 2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.109 -8.953 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.690 -8.441 4.885 1.00 0.00 H new ATOM 645 N LYS A 47 -2.174 -10.509 3.332 1.00 0.00 N ATOM 646 CA LYS A 47 -2.824 -11.421 2.398 1.00 0.00 C ATOM 647 C LYS A 47 -4.254 -10.974 2.109 1.00 0.00 C ATOM 648 O LYS A 47 -4.926 -10.410 2.973 1.00 0.00 O ATOM 649 CB LYS A 47 -2.826 -12.844 2.958 1.00 0.00 C ATOM 650 CG LYS A 47 -1.534 -13.601 2.701 1.00 0.00 C ATOM 651 CD LYS A 47 -1.753 -15.105 2.736 1.00 0.00 C ATOM 652 CE LYS A 47 -0.455 -15.851 2.994 1.00 0.00 C ATOM 653 NZ LYS A 47 0.449 -15.819 1.811 1.00 0.00 N ATOM 0 H LYS A 47 -2.126 -10.852 4.291 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.261 -11.407 1.465 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.005 -12.802 4.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.655 -13.398 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.130 -13.314 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.793 -13.323 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.476 -15.350 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.181 -15.434 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.053 -15.409 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.677 -16.886 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.879 -16.756 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.097 -15.565 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.197 -15.113 1.965 1.00 0.00 H new ATOM 667 N THR A 48 -4.714 -11.231 0.888 1.00 0.00 N ATOM 668 CA THR A 48 -6.063 -10.856 0.485 1.00 0.00 C ATOM 669 C THR A 48 -6.879 -12.087 0.102 1.00 0.00 C ATOM 670 O THR A 48 -6.345 -13.191 0.005 1.00 0.00 O ATOM 671 CB THR A 48 -6.012 -9.878 -0.691 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.209 -10.394 -1.738 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.460 -8.520 -0.316 1.00 0.00 C ATOM 0 H THR A 48 -4.171 -11.698 0.161 1.00 0.00 H new ATOM 0 HA THR A 48 -6.547 -10.371 1.333 1.00 0.00 H new ATOM 0 HB THR A 48 -7.047 -9.756 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.393 -11.350 -1.851 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.451 -7.875 -1.195 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.087 -8.073 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.444 -8.632 0.062 1.00 0.00 H new ATOM 681 N ASP A 49 -8.175 -11.888 -0.115 1.00 0.00 N ATOM 682 CA ASP A 49 -9.064 -12.982 -0.488 1.00 0.00 C ATOM 683 C ASP A 49 -9.299 -13.002 -1.995 1.00 0.00 C ATOM 684 O ASP A 49 -9.416 -14.068 -2.601 1.00 0.00 O ATOM 685 CB ASP A 49 -10.400 -12.853 0.250 1.00 0.00 C ATOM 686 CG ASP A 49 -10.543 -13.870 1.365 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.551 -15.082 1.067 1.00 0.00 O ATOM 688 OD2 ASP A 49 -10.647 -13.452 2.537 1.00 0.00 O ATOM 0 H ASP A 49 -8.633 -10.980 -0.039 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.588 -13.920 -0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.488 -11.849 0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.218 -12.978 -0.460 1.00 0.00 H new ATOM 693 N PHE A 50 -9.366 -11.818 -2.595 1.00 0.00 N ATOM 694 CA PHE A 50 -9.585 -11.701 -4.032 1.00 0.00 C ATOM 695 C PHE A 50 -8.451 -12.359 -4.811 1.00 0.00 C ATOM 696 O PHE A 50 -8.660 -12.881 -5.907 1.00 0.00 O ATOM 697 CB PHE A 50 -9.709 -10.229 -4.431 1.00 0.00 C ATOM 698 CG PHE A 50 -8.510 -9.403 -4.060 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.352 -9.460 -4.819 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.542 -8.570 -2.953 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.248 -8.701 -4.480 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.441 -7.809 -2.611 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.293 -7.874 -3.375 1.00 0.00 C ATOM 0 H PHE A 50 -9.272 -10.926 -2.109 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.514 -12.216 -4.276 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.865 -10.165 -5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.593 -9.805 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.312 -10.104 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.437 -8.515 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.351 -8.755 -5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.478 -7.163 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.432 -7.279 -3.109 1.00 0.00 H new ATOM 713 N ALA A 51 -7.251 -12.330 -4.240 1.00 0.00 N ATOM 714 CA ALA A 51 -6.085 -12.924 -4.882 1.00 0.00 C ATOM 715 C ALA A 51 -5.060 -13.380 -3.847 1.00 0.00 C ATOM 716 O ALA A 51 -4.909 -12.757 -2.796 1.00 0.00 O ATOM 717 CB ALA A 51 -5.457 -11.933 -5.850 1.00 0.00 C ATOM 0 H ALA A 51 -7.061 -11.901 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.413 -13.802 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.587 -12.388 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.185 -11.660 -6.614 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.149 -11.040 -5.307 1.00 0.00 H new ATOM 723 N PRO A 52 -4.337 -14.478 -4.131 1.00 0.00 N ATOM 724 CA PRO A 52 -3.323 -15.013 -3.218 1.00 0.00 C ATOM 725 C PRO A 52 -2.066 -14.149 -3.177 1.00 0.00 C ATOM 726 O PRO A 52 -1.949 -13.172 -3.915 1.00 0.00 O ATOM 727 CB PRO A 52 -3.008 -16.387 -3.808 1.00 0.00 C ATOM 728 CG PRO A 52 -3.302 -16.249 -5.261 1.00 0.00 C ATOM 729 CD PRO A 52 -4.452 -15.284 -5.363 1.00 0.00 C ATOM 0 HA PRO A 52 -3.678 -15.047 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.967 -16.662 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.621 -17.164 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.432 -15.877 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.561 -17.213 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.378 -14.664 -6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.409 -15.804 -5.415 1.00 0.00 H new ATOM 737 N GLY A 53 -1.130 -14.517 -2.308 1.00 0.00 N ATOM 738 CA GLY A 53 0.105 -13.766 -2.187 1.00 0.00 C ATOM 739 C GLY A 53 -0.031 -12.568 -1.268 1.00 0.00 C ATOM 740 O GLY A 53 -0.931 -12.518 -0.431 1.00 0.00 O ATOM 0 H GLY A 53 -1.205 -15.322 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.890 -14.422 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.419 -13.428 -3.175 1.00 0.00 H new ATOM 744 N TYR A 54 0.866 -11.600 -1.426 1.00 0.00 N ATOM 745 CA TYR A 54 0.843 -10.395 -0.604 1.00 0.00 C ATOM 746 C TYR A 54 0.638 -9.153 -1.465 1.00 0.00 C ATOM 747 O TYR A 54 1.392 -8.905 -2.405 1.00 0.00 O ATOM 748 CB TYR A 54 2.145 -10.269 0.190 1.00 0.00 C ATOM 749 CG TYR A 54 2.407 -11.436 1.116 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.761 -12.681 0.611 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.298 -11.291 2.493 1.00 0.00 C ATOM 752 CE1 TYR A 54 3.000 -13.750 1.455 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.537 -12.355 3.342 1.00 0.00 C ATOM 754 CZ TYR A 54 2.887 -13.582 2.818 1.00 0.00 C ATOM 755 OH TYR A 54 3.123 -14.644 3.662 1.00 0.00 O ATOM 0 H TYR A 54 1.617 -11.626 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 54 0.007 -10.476 0.091 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.978 -10.175 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.115 -9.351 0.776 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.851 -12.816 -0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.022 -10.332 2.907 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.274 -14.712 1.048 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.450 -12.226 4.411 1.00 0.00 H new ATOM 0 HH TYR A 54 3.002 -14.357 4.591 1.00 0.00 H new ATOM 765 N TRP A 55 -0.390 -8.376 -1.137 1.00 0.00 N ATOM 766 CA TRP A 55 -0.696 -7.159 -1.879 1.00 0.00 C ATOM 767 C TRP A 55 -0.592 -5.932 -0.979 1.00 0.00 C ATOM 768 O TRP A 55 -0.594 -6.047 0.247 1.00 0.00 O ATOM 769 CB TRP A 55 -2.099 -7.245 -2.483 1.00 0.00 C ATOM 770 CG TRP A 55 -2.302 -8.455 -3.343 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.436 -9.747 -2.922 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.390 -8.485 -4.772 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.604 -10.579 -4.003 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.580 -9.829 -5.149 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.330 -7.508 -5.769 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.708 -10.218 -6.480 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.458 -7.895 -7.090 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.645 -9.240 -7.435 1.00 0.00 C ATOM 0 H TRP A 55 -1.025 -8.568 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 55 0.033 -7.060 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.834 -7.253 -1.678 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.287 -6.350 -3.077 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.413 -10.068 -1.891 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.727 -11.591 -3.959 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.186 -6.469 -5.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.852 -11.254 -6.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.413 -7.148 -7.869 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.741 -9.510 -8.476 1.00 0.00 H new ATOM 789 N TYR A 56 -0.499 -4.758 -1.595 1.00 0.00 N ATOM 790 CA TYR A 56 -0.392 -3.510 -0.849 1.00 0.00 C ATOM 791 C TYR A 56 -1.662 -2.677 -0.995 1.00 0.00 C ATOM 792 O TYR A 56 -2.096 -2.379 -2.108 1.00 0.00 O ATOM 793 CB TYR A 56 0.815 -2.705 -1.330 1.00 0.00 C ATOM 794 CG TYR A 56 2.144 -3.313 -0.941 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.517 -4.568 -1.406 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.024 -2.633 -0.109 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.731 -5.127 -1.052 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.239 -3.185 0.248 1.00 0.00 C ATOM 799 CZ TYR A 56 4.588 -4.432 -0.225 1.00 0.00 C ATOM 800 OH TYR A 56 5.797 -4.986 0.129 1.00 0.00 O ATOM 0 H TYR A 56 -0.496 -4.645 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.259 -3.757 0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.771 -2.614 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.754 -1.696 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.848 -5.115 -2.054 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.754 -1.657 0.265 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.007 -6.104 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.912 -2.642 0.895 1.00 0.00 H new ATOM 0 HH TYR A 56 6.328 -5.155 -0.677 1.00 0.00 H new ATOM 810 N GLY A 57 -2.253 -2.304 0.136 1.00 0.00 N ATOM 811 CA GLY A 57 -3.466 -1.509 0.111 1.00 0.00 C ATOM 812 C GLY A 57 -3.181 -0.020 0.067 1.00 0.00 C ATOM 813 O GLY A 57 -3.683 0.740 0.894 1.00 0.00 O ATOM 0 H GLY A 57 -1.913 -2.538 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.062 -1.788 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.064 -1.736 0.994 1.00 0.00 H new ATOM 817 N ILE A 58 -2.369 0.395 -0.901 1.00 0.00 N ATOM 818 CA ILE A 58 -2.017 1.801 -1.050 1.00 0.00 C ATOM 819 C ILE A 58 -3.241 2.641 -1.399 1.00 0.00 C ATOM 820 O ILE A 58 -4.110 2.206 -2.153 1.00 0.00 O ATOM 821 CB ILE A 58 -0.946 1.998 -2.141 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.233 1.047 -1.911 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.471 3.444 -2.163 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.709 0.361 -3.172 1.00 0.00 C ATOM 0 H ILE A 58 -1.944 -0.222 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.616 2.130 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.390 1.767 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.061 1.606 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.058 0.290 -1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.285 3.567 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.315 4.101 -2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.042 3.701 -1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.545 -0.297 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.105 -0.226 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.031 1.111 -3.895 1.00 0.00 H new ATOM 836 N GLU A 59 -3.301 3.847 -0.843 1.00 0.00 N ATOM 837 CA GLU A 59 -4.419 4.749 -1.094 1.00 0.00 C ATOM 838 C GLU A 59 -3.953 5.997 -1.838 1.00 0.00 C ATOM 839 O GLU A 59 -3.278 6.855 -1.269 1.00 0.00 O ATOM 840 CB GLU A 59 -5.087 5.146 0.223 1.00 0.00 C ATOM 841 CG GLU A 59 -6.277 6.076 0.049 1.00 0.00 C ATOM 842 CD GLU A 59 -6.046 7.442 0.664 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.628 7.500 1.840 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.284 8.453 -0.029 1.00 0.00 O ATOM 0 H GLU A 59 -2.589 4.222 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.144 4.225 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.415 4.244 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.349 5.630 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.490 6.192 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.158 5.622 0.503 1.00 0.00 H new ATOM 851 N LEU A 60 -4.316 6.089 -3.112 1.00 0.00 N ATOM 852 CA LEU A 60 -3.935 7.231 -3.935 1.00 0.00 C ATOM 853 C LEU A 60 -4.636 8.501 -3.462 1.00 0.00 C ATOM 854 O LEU A 60 -5.458 8.463 -2.547 1.00 0.00 O ATOM 855 CB LEU A 60 -4.273 6.964 -5.403 1.00 0.00 C ATOM 856 CG LEU A 60 -3.702 5.665 -5.974 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.248 5.409 -7.370 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.181 5.718 -5.996 1.00 0.00 C ATOM 0 H LEU A 60 -4.874 5.387 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.859 7.374 -3.838 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.357 6.945 -5.513 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.907 7.798 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.009 4.841 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.830 4.481 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.334 5.328 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.971 6.234 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.790 4.786 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.855 6.552 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.807 5.854 -4.981 1.00 0.00 H new ATOM 870 N ASP A 61 -4.305 9.623 -4.092 1.00 0.00 N ATOM 871 CA ASP A 61 -4.903 10.904 -3.735 1.00 0.00 C ATOM 872 C ASP A 61 -6.004 11.283 -4.721 1.00 0.00 C ATOM 873 O ASP A 61 -6.991 11.919 -4.350 1.00 0.00 O ATOM 874 CB ASP A 61 -3.834 11.998 -3.700 1.00 0.00 C ATOM 875 CG ASP A 61 -3.281 12.220 -2.306 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.665 11.284 -1.755 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.463 13.331 -1.766 1.00 0.00 O ATOM 0 H ASP A 61 -3.626 9.671 -4.852 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.345 10.807 -2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.020 11.728 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.259 12.930 -4.072 1.00 0.00 H new ATOM 882 N GLN A 62 -5.828 10.888 -5.977 1.00 0.00 N ATOM 883 CA GLN A 62 -6.807 11.186 -7.016 1.00 0.00 C ATOM 884 C GLN A 62 -7.678 9.967 -7.310 1.00 0.00 C ATOM 885 O GLN A 62 -7.263 8.829 -7.087 1.00 0.00 O ATOM 886 CB GLN A 62 -6.103 11.643 -8.295 1.00 0.00 C ATOM 887 CG GLN A 62 -4.997 12.658 -8.053 1.00 0.00 C ATOM 888 CD GLN A 62 -5.319 14.022 -8.630 1.00 0.00 C ATOM 889 OE1 GLN A 62 -4.498 14.628 -9.318 1.00 0.00 O ATOM 890 NE2 GLN A 62 -6.521 14.514 -8.350 1.00 0.00 N ATOM 0 H GLN A 62 -5.017 10.361 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.448 11.990 -6.655 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.682 10.773 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.841 12.076 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.825 12.753 -6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.070 12.291 -8.494 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.171 13.977 -7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.794 15.429 -8.710 1.00 0.00 H new ATOM 899 N PRO A 63 -8.903 10.189 -7.816 1.00 0.00 N ATOM 900 CA PRO A 63 -9.832 9.103 -8.139 1.00 0.00 C ATOM 901 C PRO A 63 -9.399 8.320 -9.374 1.00 0.00 C ATOM 902 O PRO A 63 -10.050 8.374 -10.418 1.00 0.00 O ATOM 903 CB PRO A 63 -11.151 9.833 -8.400 1.00 0.00 C ATOM 904 CG PRO A 63 -10.749 11.195 -8.848 1.00 0.00 C ATOM 905 CD PRO A 63 -9.477 11.517 -8.112 1.00 0.00 C ATOM 0 HA PRO A 63 -9.891 8.363 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.741 9.324 -9.162 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.764 9.877 -7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.592 11.220 -9.926 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.526 11.925 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.803 12.119 -8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.673 12.082 -7.200 1.00 0.00 H new ATOM 913 N THR A 64 -8.294 7.593 -9.248 1.00 0.00 N ATOM 914 CA THR A 64 -7.771 6.797 -10.354 1.00 0.00 C ATOM 915 C THR A 64 -7.263 5.447 -9.860 1.00 0.00 C ATOM 916 O THR A 64 -6.289 4.909 -10.387 1.00 0.00 O ATOM 917 CB THR A 64 -6.644 7.551 -11.062 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.549 7.753 -10.186 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.066 8.905 -11.589 1.00 0.00 C ATOM 0 H THR A 64 -7.743 7.538 -8.391 1.00 0.00 H new ATOM 0 HA THR A 64 -8.583 6.623 -11.060 1.00 0.00 H new ATOM 0 HB THR A 64 -6.364 6.923 -11.908 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.838 8.235 -10.657 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.219 9.385 -12.079 1.00 0.00 H new ATOM 0 HG22 THR A 64 -7.877 8.780 -12.306 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.407 9.527 -10.762 1.00 0.00 H new ATOM 927 N GLY A 65 -7.928 4.905 -8.847 1.00 0.00 N ATOM 928 CA GLY A 65 -7.529 3.621 -8.300 1.00 0.00 C ATOM 929 C GLY A 65 -8.187 2.455 -9.012 1.00 0.00 C ATOM 930 O GLY A 65 -8.150 2.370 -10.239 1.00 0.00 O ATOM 0 H GLY A 65 -8.736 5.331 -8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.446 3.521 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.784 3.586 -7.241 1.00 0.00 H new ATOM 934 N LYS A 66 -8.789 1.557 -8.241 1.00 0.00 N ATOM 935 CA LYS A 66 -9.458 0.390 -8.806 1.00 0.00 C ATOM 936 C LYS A 66 -10.697 0.028 -7.993 1.00 0.00 C ATOM 937 O LYS A 66 -11.771 -0.204 -8.550 1.00 0.00 O ATOM 938 CB LYS A 66 -8.497 -0.800 -8.856 1.00 0.00 C ATOM 939 CG LYS A 66 -8.362 -1.416 -10.239 1.00 0.00 C ATOM 940 CD LYS A 66 -7.643 -2.756 -10.187 1.00 0.00 C ATOM 941 CE LYS A 66 -8.475 -3.863 -10.817 1.00 0.00 C ATOM 942 NZ LYS A 66 -9.759 -4.076 -10.093 1.00 0.00 N ATOM 0 H LYS A 66 -8.828 1.614 -7.223 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.772 0.636 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.514 -0.477 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.842 -1.564 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.351 -1.550 -10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.815 -0.734 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.688 -2.677 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.422 -3.011 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.683 -3.613 -11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.902 -4.790 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.106 -5.039 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.606 -3.953 -9.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.463 -3.385 -10.424 1.00 0.00 H new ATOM 956 N HIS A 67 -10.541 -0.017 -6.673 1.00 0.00 N ATOM 957 CA HIS A 67 -11.647 -0.350 -5.783 1.00 0.00 C ATOM 958 C HIS A 67 -11.927 0.794 -4.814 1.00 0.00 C ATOM 959 O HIS A 67 -11.152 1.747 -4.723 1.00 0.00 O ATOM 960 CB HIS A 67 -11.335 -1.628 -5.003 1.00 0.00 C ATOM 961 CG HIS A 67 -10.031 -1.578 -4.269 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.924 -1.503 -2.898 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.759 -1.595 -4.742 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.621 -1.475 -2.587 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.872 -1.529 -3.671 1.00 0.00 N ATOM 0 H HIS A 67 -9.659 0.173 -6.197 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.535 -0.513 -6.393 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.138 -1.813 -4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.322 -2.471 -5.694 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.479 -1.651 -5.784 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.235 -1.416 -1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.853 -1.524 -3.716 1.00 0.00 H new ATOM 973 N ASP A 68 -13.039 0.694 -4.093 1.00 0.00 N ATOM 974 CA ASP A 68 -13.421 1.721 -3.131 1.00 0.00 C ATOM 975 C ASP A 68 -13.020 1.316 -1.716 1.00 0.00 C ATOM 976 O ASP A 68 -13.713 1.633 -0.750 1.00 0.00 O ATOM 977 CB ASP A 68 -14.928 1.975 -3.195 1.00 0.00 C ATOM 978 CG ASP A 68 -15.308 2.937 -4.304 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.418 3.318 -5.094 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.498 3.309 -4.384 1.00 0.00 O ATOM 0 H ASP A 68 -13.691 -0.088 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.895 2.640 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.447 1.028 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.267 2.375 -2.239 1.00 0.00 H new ATOM 985 N GLY A 69 -11.898 0.613 -1.603 1.00 0.00 N ATOM 986 CA GLY A 69 -11.425 0.175 -0.303 1.00 0.00 C ATOM 987 C GLY A 69 -11.874 -1.233 0.036 1.00 0.00 C ATOM 988 O GLY A 69 -11.095 -2.032 0.554 1.00 0.00 O ATOM 0 H GLY A 69 -11.308 0.339 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.336 0.220 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.787 0.862 0.462 1.00 0.00 H new ATOM 992 N SER A 70 -13.135 -1.536 -0.257 1.00 0.00 N ATOM 993 CA SER A 70 -13.686 -2.858 0.021 1.00 0.00 C ATOM 994 C SER A 70 -13.728 -3.708 -1.244 1.00 0.00 C ATOM 995 O SER A 70 -14.140 -3.240 -2.305 1.00 0.00 O ATOM 996 CB SER A 70 -15.093 -2.732 0.611 1.00 0.00 C ATOM 997 OG SER A 70 -15.857 -1.766 -0.090 1.00 0.00 O ATOM 0 H SER A 70 -13.793 -0.886 -0.686 1.00 0.00 H new ATOM 0 HA SER A 70 -13.037 -3.350 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.596 -3.698 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.026 -2.453 1.663 1.00 0.00 H new ATOM 0 HG SER A 70 -16.752 -1.706 0.306 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.295 -4.959 -1.124 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.281 -5.875 -2.258 1.00 0.00 C ATOM 1005 C VAL A 71 -14.246 -7.036 -2.037 1.00 0.00 C ATOM 1006 O VAL A 71 -13.950 -7.968 -1.289 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.869 -6.436 -2.509 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.831 -7.223 -3.810 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.844 -5.313 -2.526 1.00 0.00 C ATOM 0 H VAL A 71 -12.949 -5.361 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.597 -5.304 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.617 -7.114 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.825 -7.612 -3.971 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.536 -8.052 -3.754 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.104 -6.570 -4.639 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.852 -5.728 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.090 -4.608 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.854 -4.797 -1.566 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.400 -6.973 -2.694 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.408 -8.019 -2.571 1.00 0.00 C ATOM 1021 C PHE A 72 -16.901 -8.134 -1.133 1.00 0.00 C ATOM 1022 O PHE A 72 -17.277 -9.216 -0.680 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.843 -9.360 -3.038 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.361 -9.347 -4.460 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.198 -8.935 -5.485 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -14.071 -9.746 -4.772 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.757 -8.920 -6.795 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.626 -9.734 -6.081 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.469 -9.321 -7.093 1.00 0.00 C ATOM 0 H PHE A 72 -15.660 -6.208 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.253 -7.749 -3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.017 -9.644 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.611 -10.126 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.206 -8.622 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.406 -10.070 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.418 -8.595 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.619 -10.048 -6.312 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.122 -9.311 -8.116 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.898 -7.013 -0.419 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.348 -7.012 0.960 1.00 0.00 C ATOM 1041 C GLY A 73 -16.198 -6.941 1.946 1.00 0.00 C ATOM 1042 O GLY A 73 -16.344 -6.399 3.042 1.00 0.00 O ATOM 0 H GLY A 73 -16.592 -6.106 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.013 -6.164 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.930 -7.914 1.150 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.053 -7.490 1.557 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.873 -7.487 2.413 1.00 0.00 C ATOM 1048 C VAL A 74 -13.186 -6.126 2.399 1.00 0.00 C ATOM 1049 O VAL A 74 -12.705 -5.674 1.359 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.860 -8.564 1.982 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.737 -8.682 3.000 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.555 -9.904 1.788 1.00 0.00 C ATOM 0 H VAL A 74 -14.917 -7.943 0.653 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.218 -7.708 3.423 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.424 -8.264 1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.032 -9.448 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.220 -7.726 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.152 -8.957 3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.824 -10.653 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.021 -10.211 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.319 -9.809 1.017 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.145 -5.476 3.557 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.517 -4.165 3.676 1.00 0.00 C ATOM 1064 C ARG A 75 -11.085 -4.292 4.184 1.00 0.00 C ATOM 1065 O ARG A 75 -10.785 -5.141 5.024 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.326 -3.272 4.619 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.080 -1.787 4.410 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.281 -0.959 4.835 1.00 0.00 C ATOM 1069 NE ARG A 75 -15.193 -0.706 3.722 1.00 0.00 N ATOM 1070 CZ ARG A 75 -16.467 -0.349 3.874 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -16.982 -0.197 5.088 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -17.228 -0.140 2.807 1.00 0.00 N ATOM 0 H ARG A 75 -13.539 -5.835 4.426 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.494 -3.710 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.387 -3.479 4.481 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.082 -3.531 5.649 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.204 -1.478 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.860 -1.598 3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.815 -1.478 5.631 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.939 -0.009 5.247 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.833 -0.809 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.401 -0.354 5.912 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.959 0.077 5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.837 -0.253 1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.204 0.133 2.922 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.202 -3.442 3.669 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.800 -3.457 4.071 1.00 0.00 C ATOM 1088 C TYR A 76 -8.401 -2.129 4.706 1.00 0.00 C ATOM 1089 O TYR A 76 -7.669 -2.099 5.696 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.905 -3.747 2.864 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.303 -4.989 2.100 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.414 -4.989 1.265 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.568 -6.164 2.212 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.781 -6.122 0.565 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.929 -7.300 1.515 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.036 -7.275 0.692 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.399 -8.405 -0.003 1.00 0.00 O ATOM 0 H TYR A 76 -10.433 -2.734 2.972 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.669 -4.247 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.931 -2.891 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.875 -3.854 3.204 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.000 -4.088 1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.700 -6.189 2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.648 -6.105 -0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.347 -8.204 1.614 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.825 -8.502 -0.792 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.887 -1.034 4.132 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.581 0.297 4.643 1.00 0.00 C ATOM 1109 C PHE A 77 -9.604 1.317 4.155 1.00 0.00 C ATOM 1110 O PHE A 77 -10.270 1.107 3.142 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.176 0.721 4.211 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.923 0.553 2.740 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.612 -0.692 2.215 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -6.999 1.638 1.881 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.379 -0.849 0.862 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.767 1.486 0.528 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.457 0.241 0.017 1.00 0.00 C ATOM 0 H PHE A 77 -9.494 -1.042 3.313 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.624 0.259 5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.022 1.766 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.442 0.137 4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.551 -1.548 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.243 2.614 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.136 -1.824 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.828 2.340 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.276 0.120 -1.041 1.00 0.00 H new ATOM 1127 N THR A 78 -9.724 2.423 4.883 1.00 0.00 N ATOM 1128 CA THR A 78 -10.666 3.477 4.526 1.00 0.00 C ATOM 1129 C THR A 78 -10.062 4.415 3.486 1.00 0.00 C ATOM 1130 O THR A 78 -9.125 5.160 3.777 1.00 0.00 O ATOM 1131 CB THR A 78 -11.075 4.268 5.768 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.462 3.395 6.813 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.223 5.223 5.518 1.00 0.00 C ATOM 0 H THR A 78 -9.180 2.612 5.725 1.00 0.00 H new ATOM 0 HA THR A 78 -11.552 3.009 4.096 1.00 0.00 H new ATOM 0 HB THR A 78 -10.195 4.848 6.044 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.719 3.920 7.600 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.463 5.753 6.440 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.937 5.942 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.096 4.663 5.184 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.604 4.374 2.273 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.118 5.222 1.191 1.00 0.00 C ATOM 1143 C CYS A 79 -11.277 5.903 0.471 1.00 0.00 C ATOM 1144 O CYS A 79 -12.444 5.629 0.753 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.300 4.396 0.196 1.00 0.00 C ATOM 1146 SG CYS A 79 -10.247 3.110 -0.650 1.00 0.00 S ATOM 0 H CYS A 79 -11.379 3.763 2.015 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.480 5.992 1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.871 5.066 -0.549 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.467 3.931 0.724 1.00 0.00 H new ATOM 0 HG CYS A 79 -11.516 3.378 -0.563 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.947 6.794 -0.459 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.960 7.515 -1.220 1.00 0.00 C ATOM 1154 C ALA A 80 -12.302 6.782 -2.514 1.00 0.00 C ATOM 1155 O ALA A 80 -11.643 5.808 -2.878 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.485 8.930 -1.519 1.00 0.00 C ATOM 0 H ALA A 80 -9.986 7.034 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.866 7.568 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.250 9.458 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.300 9.457 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.564 8.889 -2.101 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.343 7.241 -3.229 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.770 6.623 -4.489 1.00 0.00 C ATOM 1164 C PRO A 81 -12.628 6.506 -5.493 1.00 0.00 C ATOM 1165 O PRO A 81 -12.084 7.512 -5.948 1.00 0.00 O ATOM 1166 CB PRO A 81 -14.846 7.579 -5.012 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.357 8.276 -3.800 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.186 8.396 -2.867 1.00 0.00 C ATOM 0 HA PRO A 81 -14.125 5.603 -4.341 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.431 8.287 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.642 7.037 -5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.756 9.258 -4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.168 7.712 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.657 9.339 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.498 8.355 -1.823 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.271 5.272 -5.834 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.195 5.022 -6.786 1.00 0.00 C ATOM 1178 C ARG A 82 -9.873 5.587 -6.274 1.00 0.00 C ATOM 1179 O ARG A 82 -9.191 6.336 -6.975 1.00 0.00 O ATOM 1180 CB ARG A 82 -11.536 5.636 -8.146 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.712 4.966 -8.839 1.00 0.00 C ATOM 1182 CD ARG A 82 -12.960 5.557 -10.218 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.793 4.565 -11.276 1.00 0.00 N ATOM 1184 CZ ARG A 82 -13.714 3.658 -11.594 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -14.866 3.613 -10.937 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -13.481 2.793 -12.572 1.00 0.00 N ATOM 0 H ARG A 82 -12.711 4.429 -5.465 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.087 3.943 -6.900 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -11.759 6.694 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -10.661 5.574 -8.793 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.520 3.897 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.607 5.079 -8.228 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.969 5.966 -10.261 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.272 6.386 -10.386 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.919 4.567 -11.802 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.050 4.276 -10.184 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.568 2.916 -11.185 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.597 2.823 -13.080 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.186 2.098 -12.816 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.513 5.220 -5.048 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.272 5.689 -4.443 1.00 0.00 C ATOM 1202 C HIS A 83 -7.372 4.514 -4.073 1.00 0.00 C ATOM 1203 O HIS A 83 -6.162 4.550 -4.302 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.569 6.528 -3.200 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.835 7.971 -3.502 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.405 9.014 -2.711 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.503 8.539 -4.539 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.817 10.156 -3.277 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.486 9.923 -4.389 1.00 0.00 N ATOM 0 H HIS A 83 -10.063 4.599 -4.454 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.752 6.309 -5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.433 6.107 -2.686 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.725 6.458 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.972 8.003 -5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.626 11.140 -2.875 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.905 10.614 -5.011 1.00 0.00 H new ATOM 1217 N GLY A 84 -7.969 3.474 -3.502 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.208 2.303 -3.111 1.00 0.00 C ATOM 1219 C GLY A 84 -6.819 1.442 -4.296 1.00 0.00 C ATOM 1220 O GLY A 84 -7.579 1.316 -5.256 1.00 0.00 O ATOM 0 H GLY A 84 -8.968 3.421 -3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.308 2.618 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.796 1.709 -2.411 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.632 0.848 -4.230 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.144 -0.006 -5.306 1.00 0.00 C ATOM 1226 C VAL A 85 -4.266 -1.128 -4.765 1.00 0.00 C ATOM 1227 O VAL A 85 -3.313 -0.882 -4.025 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.341 0.802 -6.343 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.272 1.647 -7.200 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.301 1.673 -5.653 1.00 0.00 C ATOM 0 H VAL A 85 -4.990 0.943 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.021 -0.436 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.819 0.103 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.686 2.211 -7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.973 0.998 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.824 2.339 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.744 2.236 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.799 2.365 -4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.615 1.042 -5.088 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.593 -2.361 -5.137 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.833 -3.522 -4.689 1.00 0.00 C ATOM 1242 C PHE A 86 -2.985 -4.088 -5.824 1.00 0.00 C ATOM 1243 O PHE A 86 -3.512 -4.648 -6.786 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.776 -4.601 -4.155 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.023 -4.505 -2.677 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -3.972 -4.602 -1.779 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.305 -4.320 -2.186 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.195 -4.514 -0.418 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.534 -4.231 -0.826 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.478 -4.329 0.059 1.00 0.00 C ATOM 0 H PHE A 86 -5.379 -2.582 -5.748 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.168 -3.202 -3.887 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.729 -4.531 -4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.358 -5.582 -4.382 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.967 -4.748 -2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.135 -4.244 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.367 -4.590 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.538 -4.085 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.655 -4.261 1.122 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.669 -3.939 -5.704 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.750 -4.435 -6.721 1.00 0.00 C ATOM 1262 C ALA A 87 0.398 -5.221 -6.089 1.00 0.00 C ATOM 1263 O ALA A 87 0.788 -4.958 -4.952 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.208 -3.281 -7.551 1.00 0.00 C ATOM 0 H ALA A 87 -1.217 -3.479 -4.914 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.301 -5.111 -7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.477 -3.666 -8.306 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.034 -2.765 -8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.322 -2.584 -6.902 1.00 0.00 H new ATOM 1270 N PRO A 88 0.955 -6.200 -6.823 1.00 0.00 N ATOM 1271 CA PRO A 88 2.063 -7.025 -6.327 1.00 0.00 C ATOM 1272 C PRO A 88 3.281 -6.189 -5.945 1.00 0.00 C ATOM 1273 O PRO A 88 3.647 -5.252 -6.651 1.00 0.00 O ATOM 1274 CB PRO A 88 2.397 -7.938 -7.512 1.00 0.00 C ATOM 1275 CG PRO A 88 1.171 -7.939 -8.357 1.00 0.00 C ATOM 1276 CD PRO A 88 0.550 -6.583 -8.186 1.00 0.00 C ATOM 0 HA PRO A 88 1.788 -7.566 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.258 -7.565 -8.067 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.646 -8.945 -7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.418 -8.126 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.483 -8.725 -8.046 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.917 -5.875 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.534 -6.620 -8.289 1.00 0.00 H new ATOM 1284 N ALA A 89 3.903 -6.539 -4.819 1.00 0.00 N ATOM 1285 CA ALA A 89 5.082 -5.823 -4.344 1.00 0.00 C ATOM 1286 C ALA A 89 6.083 -5.643 -5.476 1.00 0.00 C ATOM 1287 O ALA A 89 6.539 -4.533 -5.751 1.00 0.00 O ATOM 1288 CB ALA A 89 5.721 -6.566 -3.181 1.00 0.00 C ATOM 0 H ALA A 89 3.609 -7.312 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 89 4.773 -4.838 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.599 -6.019 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.004 -6.649 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.019 -7.563 -3.506 1.00 0.00 H new ATOM 1294 N SER A 90 6.402 -6.748 -6.146 1.00 0.00 N ATOM 1295 CA SER A 90 7.326 -6.716 -7.267 1.00 0.00 C ATOM 1296 C SER A 90 6.833 -5.724 -8.313 1.00 0.00 C ATOM 1297 O SER A 90 7.617 -5.182 -9.092 1.00 0.00 O ATOM 1298 CB SER A 90 7.466 -8.108 -7.887 1.00 0.00 C ATOM 1299 OG SER A 90 6.285 -8.481 -8.577 1.00 0.00 O ATOM 0 H SER A 90 6.032 -7.674 -5.929 1.00 0.00 H new ATOM 0 HA SER A 90 8.305 -6.400 -6.906 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.312 -8.120 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.680 -8.837 -7.106 1.00 0.00 H new ATOM 0 HG SER A 90 6.401 -9.373 -8.965 1.00 0.00 H new ATOM 1305 N ARG A 91 5.523 -5.477 -8.308 1.00 0.00 N ATOM 1306 CA ARG A 91 4.923 -4.535 -9.238 1.00 0.00 C ATOM 1307 C ARG A 91 4.940 -3.123 -8.656 1.00 0.00 C ATOM 1308 O ARG A 91 4.732 -2.144 -9.371 1.00 0.00 O ATOM 1309 CB ARG A 91 3.486 -4.951 -9.565 1.00 0.00 C ATOM 1310 CG ARG A 91 3.345 -5.644 -10.912 1.00 0.00 C ATOM 1311 CD ARG A 91 1.986 -5.377 -11.538 1.00 0.00 C ATOM 1312 NE ARG A 91 1.401 -6.585 -12.115 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.107 -6.723 -12.394 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.739 -5.731 -12.153 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.341 -7.856 -12.916 1.00 0.00 N ATOM 0 H ARG A 91 4.862 -5.918 -7.669 1.00 0.00 H new ATOM 0 HA ARG A 91 5.509 -4.540 -10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.123 -5.618 -8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.849 -4.067 -9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.130 -5.298 -11.584 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.484 -6.718 -10.786 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.312 -4.973 -10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.087 -4.617 -12.313 1.00 0.00 H new ATOM 0 HE ARG A 91 2.021 -7.369 -12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.399 -4.857 -11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.730 -5.842 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.306 -8.622 -13.104 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.333 -7.962 -13.130 1.00 0.00 H new ATOM 1329 N ILE A 92 5.192 -3.025 -7.348 1.00 0.00 N ATOM 1330 CA ILE A 92 5.236 -1.730 -6.678 1.00 0.00 C ATOM 1331 C ILE A 92 6.670 -1.343 -6.329 1.00 0.00 C ATOM 1332 O ILE A 92 7.497 -2.199 -6.017 1.00 0.00 O ATOM 1333 CB ILE A 92 4.389 -1.733 -5.391 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.985 -2.265 -5.678 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.319 -0.332 -4.800 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.240 -2.701 -4.436 1.00 0.00 C ATOM 0 H ILE A 92 5.367 -3.824 -6.738 1.00 0.00 H new ATOM 0 HA ILE A 92 4.822 -0.999 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 92 4.864 -2.391 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.408 -1.491 -6.185 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.058 -3.109 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.717 -0.350 -3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.325 0.013 -4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.864 0.345 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.252 -3.067 -4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.795 -3.497 -3.939 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.136 -1.854 -3.758 1.00 0.00 H new ATOM 1348 N GLN A 93 6.957 -0.047 -6.386 1.00 0.00 N ATOM 1349 CA GLN A 93 8.290 0.457 -6.076 1.00 0.00 C ATOM 1350 C GLN A 93 8.261 1.347 -4.837 1.00 0.00 C ATOM 1351 O GLN A 93 7.199 1.601 -4.268 1.00 0.00 O ATOM 1352 CB GLN A 93 8.855 1.236 -7.265 1.00 0.00 C ATOM 1353 CG GLN A 93 9.576 0.362 -8.278 1.00 0.00 C ATOM 1354 CD GLN A 93 9.182 0.680 -9.708 1.00 0.00 C ATOM 1355 OE1 GLN A 93 9.887 1.404 -10.411 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.050 0.139 -10.145 1.00 0.00 N ATOM 0 H GLN A 93 6.284 0.674 -6.644 1.00 0.00 H new ATOM 0 HA GLN A 93 8.935 -0.398 -5.873 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.041 1.761 -7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.545 1.995 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.652 0.492 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.358 -0.685 -8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.497 -0.455 -9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.734 0.318 -11.098 1.00 0.00 H new ATOM 1365 N ARG A 94 9.433 1.818 -4.425 1.00 0.00 N ATOM 1366 CA ARG A 94 9.541 2.680 -3.254 1.00 0.00 C ATOM 1367 C ARG A 94 10.043 4.067 -3.643 1.00 0.00 C ATOM 1368 O ARG A 94 10.817 4.214 -4.589 1.00 0.00 O ATOM 1369 CB ARG A 94 10.479 2.053 -2.217 1.00 0.00 C ATOM 1370 CG ARG A 94 9.792 1.708 -0.906 1.00 0.00 C ATOM 1371 CD ARG A 94 10.689 0.870 -0.009 1.00 0.00 C ATOM 1372 NE ARG A 94 10.624 1.300 1.386 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.016 0.550 2.413 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.501 -0.669 2.207 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.923 1.019 3.650 1.00 0.00 N ATOM 0 H ARG A 94 10.321 1.617 -4.885 1.00 0.00 H new ATOM 0 HA ARG A 94 8.548 2.784 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.918 1.148 -2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.299 2.742 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.513 2.626 -0.388 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.870 1.164 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.395 -0.177 -0.080 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.718 0.937 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 94 10.256 2.230 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.575 -1.035 1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.800 -1.239 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.551 1.954 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.223 0.444 4.437 1.00 0.00 H new ATOM 1389 N ILE A 95 9.598 5.080 -2.909 1.00 0.00 N ATOM 1390 CA ILE A 95 10.001 6.456 -3.178 1.00 0.00 C ATOM 1391 C ILE A 95 11.161 6.873 -2.281 1.00 0.00 C ATOM 1392 O ILE A 95 12.197 7.331 -2.762 1.00 0.00 O ATOM 1393 CB ILE A 95 8.830 7.435 -2.972 1.00 0.00 C ATOM 1394 CG1 ILE A 95 7.581 6.932 -3.697 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.210 8.825 -3.461 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.770 6.780 -5.191 1.00 0.00 C ATOM 0 H ILE A 95 8.957 4.975 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 95 10.318 6.495 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 95 8.608 7.494 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.289 5.970 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.759 7.624 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.372 9.506 -3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.075 9.183 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.455 8.783 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.844 6.420 -5.640 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.032 7.745 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.570 6.066 -5.386 1.00 0.00 H new ATOM 1408 N GLY A 96 10.980 6.711 -0.974 1.00 0.00 N ATOM 1409 CA GLY A 96 12.019 7.076 -0.030 1.00 0.00 C ATOM 1410 C GLY A 96 12.422 5.920 0.864 1.00 0.00 C ATOM 1411 O GLY A 96 11.647 4.985 1.068 1.00 0.00 O ATOM 0 H GLY A 96 10.132 6.333 -0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.893 7.431 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.670 7.904 0.587 1.00 0.00 H new ATOM 1415 N SER A 97 13.638 5.981 1.397 1.00 0.00 N ATOM 1416 CA SER A 97 14.142 4.930 2.274 1.00 0.00 C ATOM 1417 C SER A 97 15.450 5.354 2.935 1.00 0.00 C ATOM 1418 O SER A 97 15.890 6.495 2.790 1.00 0.00 O ATOM 1419 CB SER A 97 14.352 3.637 1.484 1.00 0.00 C ATOM 1420 OG SER A 97 14.766 2.582 2.335 1.00 0.00 O ATOM 0 H SER A 97 14.293 6.747 1.237 1.00 0.00 H new ATOM 0 HA SER A 97 13.402 4.755 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.426 3.360 0.980 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.101 3.798 0.708 1.00 0.00 H new ATOM 0 HG SER A 97 14.892 1.766 1.807 1.00 0.00 H new ATOM 1426 N GLY A 98 16.067 4.428 3.660 1.00 0.00 N ATOM 1427 CA GLY A 98 17.318 4.723 4.334 1.00 0.00 C ATOM 1428 C GLY A 98 18.402 3.709 4.016 1.00 0.00 C ATOM 1429 O GLY A 98 18.785 2.918 4.877 1.00 0.00 O ATOM 0 H GLY A 98 15.723 3.477 3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.658 5.717 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 98 17.150 4.746 5.411 1.00 0.00 H new ATOM 1433 N PRO A 99 18.920 3.709 2.776 1.00 0.00 N ATOM 1434 CA PRO A 99 19.970 2.775 2.359 1.00 0.00 C ATOM 1435 C PRO A 99 21.164 2.783 3.308 1.00 0.00 C ATOM 1436 O PRO A 99 21.841 1.769 3.479 1.00 0.00 O ATOM 1437 CB PRO A 99 20.382 3.292 0.979 1.00 0.00 C ATOM 1438 CG PRO A 99 19.184 4.019 0.474 1.00 0.00 C ATOM 1439 CD PRO A 99 18.523 4.618 1.685 1.00 0.00 C ATOM 0 HA PRO A 99 19.617 1.744 2.354 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.247 3.952 1.046 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.657 2.472 0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 99 19.469 4.793 -0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.506 3.341 -0.046 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.865 5.637 1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 99 17.440 4.661 1.572 1.00 0.00 H new ATOM 1447 N SER A 100 21.415 3.935 3.923 1.00 0.00 N ATOM 1448 CA SER A 100 22.527 4.077 4.856 1.00 0.00 C ATOM 1449 C SER A 100 23.854 3.750 4.178 1.00 0.00 C ATOM 1450 O SER A 100 23.885 3.338 3.019 1.00 0.00 O ATOM 1451 CB SER A 100 22.322 3.169 6.070 1.00 0.00 C ATOM 1452 OG SER A 100 22.744 1.844 5.795 1.00 0.00 O ATOM 0 H SER A 100 20.863 4.783 3.792 1.00 0.00 H new ATOM 0 HA SER A 100 22.558 5.114 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 100 22.880 3.562 6.920 1.00 0.00 H new ATOM 0 HB3 SER A 100 21.269 3.167 6.353 1.00 0.00 H new ATOM 0 HG SER A 100 22.212 1.478 5.058 1.00 0.00 H new ATOM 1458 N SER A 101 24.948 3.937 4.910 1.00 0.00 N ATOM 1459 CA SER A 101 26.278 3.662 4.379 1.00 0.00 C ATOM 1460 C SER A 101 27.322 3.684 5.491 1.00 0.00 C ATOM 1461 O SER A 101 28.457 4.113 5.282 1.00 0.00 O ATOM 1462 CB SER A 101 26.642 4.685 3.302 1.00 0.00 C ATOM 1463 OG SER A 101 26.995 5.931 3.879 1.00 0.00 O ATOM 0 H SER A 101 24.939 4.277 5.871 1.00 0.00 H new ATOM 0 HA SER A 101 26.266 2.667 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 101 27.473 4.309 2.705 1.00 0.00 H new ATOM 0 HB3 SER A 101 25.799 4.820 2.625 1.00 0.00 H new ATOM 0 HG SER A 101 27.225 6.567 3.169 1.00 0.00 H new ATOM 1469 N GLY A 102 26.930 3.220 6.673 1.00 0.00 N ATOM 1470 CA GLY A 102 27.843 3.195 7.801 1.00 0.00 C ATOM 1471 C GLY A 102 27.305 2.389 8.966 1.00 0.00 C ATOM 1472 O GLY A 102 26.911 3.002 9.981 1.00 0.00 O ATOM 1473 OXT GLY A 102 27.274 1.145 8.864 1.00 0.00 O ATOM 0 H GLY A 102 25.996 2.861 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 102 28.797 2.775 7.483 1.00 0.00 H new ATOM 0 HA3 GLY A 102 28.038 4.216 8.129 1.00 0.00 H new TER 1477 GLY A 102