USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 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 35 HIS : no HD1:sc= 0.417 K(o=1.3,f=-2.1) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -137:sc= 0.873 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 174:sc= 0 (180deg=-0.0392) 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 43:sc= 0.872 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.418 F(o=-1.1,f=-0.42) 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 20:sc= 1.13 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.46) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.72 K(o=-3.7,f=-5.8!) USER MOD Single : A 74 TYR OH : rot 11:sc= 0.395 USER MOD Single : A 77 CYS SG : rot -150:sc= 0.0277 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc=-0.00557 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.064 -3.064 -7.626 1.00 0.00 N ATOM 2 CA GLY A 1 27.641 -3.000 -6.254 1.00 0.00 C ATOM 3 C GLY A 1 26.887 -2.044 -5.351 1.00 0.00 C ATOM 4 O GLY A 1 27.490 -1.330 -4.549 1.00 0.00 O ATOM 0 H1 GLY A 1 27.673 -3.651 -8.232 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.112 -3.482 -7.583 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.003 -2.104 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.631 -3.996 -5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.684 -2.690 -6.316 1.00 0.00 H new ATOM 10 N SER A 2 25.564 -2.028 -5.483 1.00 0.00 N ATOM 11 CA SER A 2 24.727 -1.152 -4.672 1.00 0.00 C ATOM 12 C SER A 2 23.632 -1.945 -3.965 1.00 0.00 C ATOM 13 O SER A 2 23.455 -1.833 -2.753 1.00 0.00 O ATOM 14 CB SER A 2 24.099 -0.062 -5.543 1.00 0.00 C ATOM 15 OG SER A 2 25.091 0.647 -6.266 1.00 0.00 O ATOM 0 H SER A 2 25.050 -2.611 -6.143 1.00 0.00 H new ATOM 0 HA SER A 2 25.359 -0.686 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.389 -0.511 -6.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.537 0.630 -4.916 1.00 0.00 H new ATOM 0 HG SER A 2 24.664 1.337 -6.816 1.00 0.00 H new ATOM 21 N SER A 3 22.902 -2.748 -4.732 1.00 0.00 N ATOM 22 CA SER A 3 21.824 -3.562 -4.180 1.00 0.00 C ATOM 23 C SER A 3 22.096 -5.047 -4.399 1.00 0.00 C ATOM 24 O SER A 3 21.177 -5.825 -4.656 1.00 0.00 O ATOM 25 CB SER A 3 20.488 -3.176 -4.818 1.00 0.00 C ATOM 26 OG SER A 3 20.487 -3.454 -6.207 1.00 0.00 O ATOM 0 H SER A 3 23.037 -2.853 -5.738 1.00 0.00 H new ATOM 0 HA SER A 3 21.774 -3.375 -3.107 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.679 -3.723 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.297 -2.115 -4.656 1.00 0.00 H new ATOM 0 HG SER A 3 19.622 -3.200 -6.591 1.00 0.00 H new ATOM 32 N GLY A 4 23.364 -5.433 -4.297 1.00 0.00 N ATOM 33 CA GLY A 4 23.733 -6.823 -4.486 1.00 0.00 C ATOM 34 C GLY A 4 23.098 -7.737 -3.457 1.00 0.00 C ATOM 35 O GLY A 4 23.407 -7.653 -2.268 1.00 0.00 O ATOM 0 H GLY A 4 24.142 -4.808 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.434 -7.142 -5.484 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.817 -6.918 -4.432 1.00 0.00 H new ATOM 39 N SER A 5 22.209 -8.613 -3.913 1.00 0.00 N ATOM 40 CA SER A 5 21.529 -9.547 -3.024 1.00 0.00 C ATOM 41 C SER A 5 20.823 -10.640 -3.819 1.00 0.00 C ATOM 42 O SER A 5 20.403 -10.423 -4.955 1.00 0.00 O ATOM 43 CB SER A 5 20.518 -8.805 -2.147 1.00 0.00 C ATOM 44 OG SER A 5 21.103 -8.408 -0.918 1.00 0.00 O ATOM 0 H SER A 5 21.943 -8.695 -4.894 1.00 0.00 H new ATOM 0 HA SER A 5 22.280 -10.014 -2.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.147 -7.928 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.659 -9.447 -1.954 1.00 0.00 H new ATOM 0 HG SER A 5 22.001 -8.051 -1.083 1.00 0.00 H new ATOM 50 N SER A 6 20.694 -11.816 -3.214 1.00 0.00 N ATOM 51 CA SER A 6 20.039 -12.945 -3.865 1.00 0.00 C ATOM 52 C SER A 6 18.738 -13.304 -3.154 1.00 0.00 C ATOM 53 O SER A 6 18.398 -12.717 -2.127 1.00 0.00 O ATOM 54 CB SER A 6 20.971 -14.157 -3.890 1.00 0.00 C ATOM 55 OG SER A 6 21.886 -14.121 -2.808 1.00 0.00 O ATOM 0 H SER A 6 21.035 -12.012 -2.273 1.00 0.00 H new ATOM 0 HA SER A 6 19.804 -12.655 -4.889 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.382 -15.073 -3.842 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.518 -14.179 -4.832 1.00 0.00 H new ATOM 0 HG SER A 6 22.469 -14.908 -2.846 1.00 0.00 H new ATOM 61 N GLY A 7 18.015 -14.272 -3.709 1.00 0.00 N ATOM 62 CA GLY A 7 16.759 -14.693 -3.114 1.00 0.00 C ATOM 63 C GLY A 7 16.652 -16.200 -2.994 1.00 0.00 C ATOM 64 O GLY A 7 17.476 -16.933 -3.542 1.00 0.00 O ATOM 0 H GLY A 7 18.276 -14.772 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.660 -14.245 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.931 -14.320 -3.717 1.00 0.00 H new ATOM 68 N GLN A 8 15.634 -16.664 -2.276 1.00 0.00 N ATOM 69 CA GLN A 8 15.422 -18.094 -2.086 1.00 0.00 C ATOM 70 C GLN A 8 13.972 -18.383 -1.713 1.00 0.00 C ATOM 71 O GLN A 8 13.545 -18.119 -0.589 1.00 0.00 O ATOM 72 CB GLN A 8 16.357 -18.629 -1.000 1.00 0.00 C ATOM 73 CG GLN A 8 16.641 -20.118 -1.121 1.00 0.00 C ATOM 74 CD GLN A 8 17.438 -20.461 -2.364 1.00 0.00 C ATOM 75 OE1 GLN A 8 16.741 -20.659 -3.477 1.00 0.00 O flip ATOM 76 NE2 GLN A 8 18.665 -20.546 -2.325 1.00 0.00 N flip ATOM 0 H GLN A 8 14.943 -16.070 -1.816 1.00 0.00 H new ATOM 0 HA GLN A 8 15.644 -18.598 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 8 17.300 -18.083 -1.042 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.917 -18.430 -0.023 1.00 0.00 H new ATOM 0 HG2 GLN A 8 17.188 -20.452 -0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.698 -20.664 -1.137 1.00 0.00 H new ATOM 0 HE21 GLN A 8 19.160 -20.386 -1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 8 19.187 -20.777 -3.170 1.00 0.00 H new ATOM 85 N ALA A 9 13.219 -18.928 -2.663 1.00 0.00 N ATOM 86 CA ALA A 9 11.816 -19.255 -2.434 1.00 0.00 C ATOM 87 C ALA A 9 11.362 -20.396 -3.336 1.00 0.00 C ATOM 88 O ALA A 9 10.197 -20.465 -3.726 1.00 0.00 O ATOM 89 CB ALA A 9 10.947 -18.025 -2.655 1.00 0.00 C ATOM 0 H ALA A 9 13.557 -19.153 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 9 11.709 -19.583 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.902 -18.282 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.247 -17.238 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.068 -17.673 -3.679 1.00 0.00 H new ATOM 95 N LEU A 10 12.291 -21.291 -3.663 1.00 0.00 N ATOM 96 CA LEU A 10 11.992 -22.435 -4.520 1.00 0.00 C ATOM 97 C LEU A 10 11.685 -21.986 -5.946 1.00 0.00 C ATOM 98 O LEU A 10 12.460 -22.241 -6.867 1.00 0.00 O ATOM 99 CB LEU A 10 10.815 -23.236 -3.957 1.00 0.00 C ATOM 100 CG LEU A 10 10.575 -24.591 -4.624 1.00 0.00 C ATOM 101 CD1 LEU A 10 11.777 -25.501 -4.429 1.00 0.00 C ATOM 102 CD2 LEU A 10 9.316 -25.241 -4.072 1.00 0.00 C ATOM 0 H LEU A 10 13.260 -21.246 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 10 12.874 -23.074 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.981 -23.397 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.909 -22.637 -4.051 1.00 0.00 H new ATOM 0 HG LEU A 10 10.437 -24.430 -5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.589 -26.461 -4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.659 -25.039 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.947 -25.656 -3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.161 -26.204 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.424 -25.390 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.459 -24.595 -4.264 1.00 0.00 H new ATOM 114 N ALA A 11 10.551 -21.316 -6.121 1.00 0.00 N ATOM 115 CA ALA A 11 10.144 -20.832 -7.434 1.00 0.00 C ATOM 116 C ALA A 11 10.099 -19.308 -7.468 1.00 0.00 C ATOM 117 O ALA A 11 9.766 -18.664 -6.474 1.00 0.00 O ATOM 118 CB ALA A 11 8.789 -21.412 -7.812 1.00 0.00 C ATOM 0 H ALA A 11 9.898 -21.096 -5.369 1.00 0.00 H new ATOM 0 HA ALA A 11 10.884 -21.163 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.496 -21.043 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.853 -22.500 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.045 -21.110 -7.075 1.00 0.00 H new ATOM 124 N SER A 12 10.436 -18.738 -8.621 1.00 0.00 N ATOM 125 CA SER A 12 10.433 -17.289 -8.785 1.00 0.00 C ATOM 126 C SER A 12 9.018 -16.770 -9.011 1.00 0.00 C ATOM 127 O SER A 12 8.220 -17.395 -9.711 1.00 0.00 O ATOM 128 CB SER A 12 11.329 -16.887 -9.958 1.00 0.00 C ATOM 129 OG SER A 12 11.583 -15.493 -9.951 1.00 0.00 O ATOM 0 H SER A 12 10.714 -19.257 -9.454 1.00 0.00 H new ATOM 0 HA SER A 12 10.822 -16.844 -7.869 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.271 -17.432 -9.903 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.852 -17.168 -10.897 1.00 0.00 H new ATOM 0 HG SER A 12 12.159 -15.262 -10.709 1.00 0.00 H new ATOM 135 N ASP A 13 8.711 -15.622 -8.414 1.00 0.00 N ATOM 136 CA ASP A 13 7.392 -15.018 -8.550 1.00 0.00 C ATOM 137 C ASP A 13 7.366 -14.017 -9.701 1.00 0.00 C ATOM 138 O ASP A 13 7.768 -12.865 -9.542 1.00 0.00 O ATOM 139 CB ASP A 13 6.988 -14.326 -7.248 1.00 0.00 C ATOM 140 CG ASP A 13 6.751 -15.310 -6.119 1.00 0.00 C ATOM 141 OD1 ASP A 13 6.225 -16.409 -6.391 1.00 0.00 O ATOM 142 OD2 ASP A 13 7.092 -14.980 -4.963 1.00 0.00 O ATOM 0 H ASP A 13 9.359 -15.092 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 13 6.678 -15.812 -8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.769 -13.623 -6.956 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.082 -13.744 -7.415 1.00 0.00 H new ATOM 147 N SER A 14 6.891 -14.466 -10.858 1.00 0.00 N ATOM 148 CA SER A 14 6.814 -13.609 -12.035 1.00 0.00 C ATOM 149 C SER A 14 5.378 -13.157 -12.287 1.00 0.00 C ATOM 150 O SER A 14 5.025 -12.006 -12.031 1.00 0.00 O ATOM 151 CB SER A 14 7.351 -14.345 -13.264 1.00 0.00 C ATOM 152 OG SER A 14 8.734 -14.095 -13.444 1.00 0.00 O ATOM 0 H SER A 14 6.554 -15.417 -11.006 1.00 0.00 H new ATOM 0 HA SER A 14 7.427 -12.727 -11.851 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.183 -15.416 -13.152 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.802 -14.027 -14.151 1.00 0.00 H new ATOM 0 HG SER A 14 9.054 -14.578 -14.235 1.00 0.00 H new ATOM 158 N GLU A 15 4.556 -14.072 -12.790 1.00 0.00 N ATOM 159 CA GLU A 15 3.158 -13.768 -13.076 1.00 0.00 C ATOM 160 C GLU A 15 2.232 -14.539 -12.142 1.00 0.00 C ATOM 161 O GLU A 15 1.117 -14.902 -12.518 1.00 0.00 O ATOM 162 CB GLU A 15 2.829 -14.104 -14.532 1.00 0.00 C ATOM 163 CG GLU A 15 3.070 -15.562 -14.889 1.00 0.00 C ATOM 164 CD GLU A 15 4.478 -15.814 -15.392 1.00 0.00 C ATOM 165 OE1 GLU A 15 5.390 -15.968 -14.553 1.00 0.00 O ATOM 166 OE2 GLU A 15 4.670 -15.855 -16.626 1.00 0.00 O ATOM 0 H GLU A 15 4.833 -15.029 -13.008 1.00 0.00 H new ATOM 0 HA GLU A 15 3.003 -12.702 -12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.785 -13.859 -14.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.431 -13.474 -15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.885 -16.182 -14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.355 -15.868 -15.653 1.00 0.00 H new ATOM 173 N GLU A 16 2.700 -14.786 -10.923 1.00 0.00 N ATOM 174 CA GLU A 16 1.913 -15.514 -9.936 1.00 0.00 C ATOM 175 C GLU A 16 2.358 -15.165 -8.519 1.00 0.00 C ATOM 176 O GLU A 16 3.375 -14.500 -8.324 1.00 0.00 O ATOM 177 CB GLU A 16 2.036 -17.022 -10.164 1.00 0.00 C ATOM 178 CG GLU A 16 0.761 -17.790 -9.860 1.00 0.00 C ATOM 179 CD GLU A 16 0.563 -18.979 -10.781 1.00 0.00 C ATOM 180 OE1 GLU A 16 0.354 -18.762 -11.993 1.00 0.00 O ATOM 181 OE2 GLU A 16 0.617 -20.126 -10.289 1.00 0.00 O ATOM 0 H GLU A 16 3.620 -14.492 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 16 0.870 -15.220 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.320 -17.202 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.841 -17.411 -9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.787 -18.136 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.093 -17.119 -9.950 1.00 0.00 H new ATOM 188 N ALA A 17 1.590 -15.619 -7.534 1.00 0.00 N ATOM 189 CA ALA A 17 1.905 -15.355 -6.136 1.00 0.00 C ATOM 190 C ALA A 17 1.935 -13.857 -5.852 1.00 0.00 C ATOM 191 O ALA A 17 1.774 -13.041 -6.760 1.00 0.00 O ATOM 192 CB ALA A 17 3.238 -15.990 -5.767 1.00 0.00 C ATOM 0 H ALA A 17 0.745 -16.172 -7.679 1.00 0.00 H new ATOM 0 HA ALA A 17 1.120 -15.798 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.461 -15.785 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.183 -17.067 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.026 -15.573 -6.394 1.00 0.00 H new ATOM 198 N ASP A 18 2.141 -13.502 -4.588 1.00 0.00 N ATOM 199 CA ASP A 18 2.190 -12.102 -4.187 1.00 0.00 C ATOM 200 C ASP A 18 3.190 -11.896 -3.053 1.00 0.00 C ATOM 201 O ASP A 18 2.853 -12.051 -1.879 1.00 0.00 O ATOM 202 CB ASP A 18 0.804 -11.624 -3.751 1.00 0.00 C ATOM 203 CG ASP A 18 0.585 -10.151 -4.036 1.00 0.00 C ATOM 204 OD1 ASP A 18 1.095 -9.314 -3.262 1.00 0.00 O ATOM 205 OD2 ASP A 18 -0.097 -9.834 -5.034 1.00 0.00 O ATOM 0 H ASP A 18 2.277 -14.165 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 18 2.515 -11.516 -5.047 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.042 -12.208 -4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.678 -11.808 -2.684 1.00 0.00 H new ATOM 210 N GLU A 19 4.421 -11.548 -3.413 1.00 0.00 N ATOM 211 CA GLU A 19 5.470 -11.321 -2.425 1.00 0.00 C ATOM 212 C GLU A 19 5.297 -9.965 -1.747 1.00 0.00 C ATOM 213 O GLU A 19 5.341 -8.924 -2.401 1.00 0.00 O ATOM 214 CB GLU A 19 6.848 -11.400 -3.087 1.00 0.00 C ATOM 215 CG GLU A 19 7.939 -11.909 -2.160 1.00 0.00 C ATOM 216 CD GLU A 19 8.159 -11.002 -0.965 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.376 -9.790 -1.172 1.00 0.00 O ATOM 218 OE2 GLU A 19 8.114 -11.504 0.178 1.00 0.00 O ATOM 0 H GLU A 19 4.717 -11.417 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 19 5.393 -12.099 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.787 -12.054 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.124 -10.410 -3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.677 -12.907 -1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.871 -12.001 -2.718 1.00 0.00 H new ATOM 225 N VAL A 20 5.098 -9.988 -0.434 1.00 0.00 N ATOM 226 CA VAL A 20 4.918 -8.762 0.333 1.00 0.00 C ATOM 227 C VAL A 20 6.228 -8.326 0.988 1.00 0.00 C ATOM 228 O VAL A 20 6.897 -9.126 1.642 1.00 0.00 O ATOM 229 CB VAL A 20 3.846 -8.935 1.425 1.00 0.00 C ATOM 230 CG1 VAL A 20 3.516 -7.596 2.068 1.00 0.00 C ATOM 231 CG2 VAL A 20 2.595 -9.581 0.849 1.00 0.00 C ATOM 0 H VAL A 20 5.057 -10.843 0.121 1.00 0.00 H new ATOM 0 HA VAL A 20 4.591 -7.995 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 20 4.244 -9.594 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.757 -7.739 2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.416 -7.178 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.139 -6.911 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.849 -9.695 1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.192 -8.951 0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.846 -10.561 0.442 1.00 0.00 H new ATOM 241 N PRO A 21 6.615 -7.048 0.822 1.00 0.00 N ATOM 242 CA PRO A 21 7.852 -6.519 1.406 1.00 0.00 C ATOM 243 C PRO A 21 7.784 -6.434 2.926 1.00 0.00 C ATOM 244 O PRO A 21 6.752 -6.729 3.529 1.00 0.00 O ATOM 245 CB PRO A 21 7.967 -5.119 0.797 1.00 0.00 C ATOM 246 CG PRO A 21 6.571 -4.741 0.445 1.00 0.00 C ATOM 247 CD PRO A 21 5.881 -6.020 0.059 1.00 0.00 C ATOM 0 HA PRO A 21 8.707 -7.160 1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.401 -4.414 1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.610 -5.122 -0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.070 -4.267 1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.556 -4.026 -0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.824 -6.002 0.323 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.938 -6.199 -1.015 1.00 0.00 H new ATOM 255 N GLU A 22 8.890 -6.029 3.543 1.00 0.00 N ATOM 256 CA GLU A 22 8.956 -5.907 4.995 1.00 0.00 C ATOM 257 C GLU A 22 8.715 -4.466 5.432 1.00 0.00 C ATOM 258 O GLU A 22 8.035 -4.214 6.426 1.00 0.00 O ATOM 259 CB GLU A 22 10.315 -6.387 5.507 1.00 0.00 C ATOM 260 CG GLU A 22 10.612 -7.840 5.174 1.00 0.00 C ATOM 261 CD GLU A 22 11.970 -8.288 5.680 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.988 -7.895 5.071 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.015 -9.030 6.682 1.00 0.00 O ATOM 0 H GLU A 22 9.753 -5.780 3.060 1.00 0.00 H new ATOM 0 HA GLU A 22 8.173 -6.533 5.423 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.097 -5.758 5.081 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.354 -6.256 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.839 -8.474 5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.567 -7.978 4.094 1.00 0.00 H new ATOM 270 N TRP A 23 9.279 -3.522 4.683 1.00 0.00 N ATOM 271 CA TRP A 23 9.127 -2.106 4.996 1.00 0.00 C ATOM 272 C TRP A 23 7.657 -1.700 4.985 1.00 0.00 C ATOM 273 O TRP A 23 7.247 -0.798 5.716 1.00 0.00 O ATOM 274 CB TRP A 23 9.912 -1.254 3.997 1.00 0.00 C ATOM 275 CG TRP A 23 9.622 -1.594 2.567 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.399 -2.343 1.730 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.476 -1.198 1.806 1.00 0.00 C ATOM 278 NE1 TRP A 23 9.806 -2.436 0.494 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.624 -1.742 0.515 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.338 -0.436 2.089 1.00 0.00 C ATOM 281 CZ2 TRP A 23 7.677 -1.548 -0.487 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.399 -0.245 1.093 1.00 0.00 C ATOM 283 CH2 TRP A 23 6.574 -0.799 -0.181 1.00 0.00 C ATOM 0 H TRP A 23 9.845 -3.713 3.856 1.00 0.00 H new ATOM 0 HA TRP A 23 9.523 -1.937 5.997 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.680 -0.203 4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.979 -1.379 4.183 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.342 -2.796 2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.184 -2.940 -0.309 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.195 -0.004 3.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.809 -1.974 -1.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.516 0.341 1.301 1.00 0.00 H new ATOM 0 HH2 TRP A 23 5.822 -0.631 -0.938 1.00 0.00 H new ATOM 294 N LEU A 24 6.866 -2.370 4.152 1.00 0.00 N ATOM 295 CA LEU A 24 5.441 -2.076 4.049 1.00 0.00 C ATOM 296 C LEU A 24 4.702 -2.520 5.307 1.00 0.00 C ATOM 297 O LEU A 24 4.574 -3.715 5.575 1.00 0.00 O ATOM 298 CB LEU A 24 4.842 -2.766 2.823 1.00 0.00 C ATOM 299 CG LEU A 24 3.392 -2.392 2.513 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.306 -0.955 2.020 1.00 0.00 C ATOM 301 CD2 LEU A 24 2.804 -3.346 1.484 1.00 0.00 C ATOM 0 H LEU A 24 7.188 -3.119 3.539 1.00 0.00 H new ATOM 0 HA LEU A 24 5.326 -0.997 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.456 -2.528 1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.900 -3.845 2.968 1.00 0.00 H new ATOM 0 HG LEU A 24 2.810 -2.476 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.267 -0.706 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.688 -0.283 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.901 -0.845 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.772 -3.065 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.387 -3.294 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.831 -4.364 1.874 1.00 0.00 H new ATOM 313 N ARG A 25 4.216 -1.552 6.076 1.00 0.00 N ATOM 314 CA ARG A 25 3.489 -1.844 7.306 1.00 0.00 C ATOM 315 C ARG A 25 2.559 -0.692 7.675 1.00 0.00 C ATOM 316 O ARG A 25 2.760 0.443 7.244 1.00 0.00 O ATOM 317 CB ARG A 25 4.467 -2.114 8.450 1.00 0.00 C ATOM 318 CG ARG A 25 5.606 -1.110 8.527 1.00 0.00 C ATOM 319 CD ARG A 25 6.313 -1.172 9.871 1.00 0.00 C ATOM 320 NE ARG A 25 5.497 -0.609 10.944 1.00 0.00 N ATOM 321 CZ ARG A 25 5.748 -0.791 12.239 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.788 -1.520 12.624 1.00 0.00 N ATOM 323 NH2 ARG A 25 4.957 -0.242 13.151 1.00 0.00 N ATOM 0 H ARG A 25 4.312 -0.558 5.869 1.00 0.00 H new ATOM 0 HA ARG A 25 2.884 -2.735 7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.921 -2.104 9.393 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.883 -3.115 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.321 -1.308 7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.218 -0.104 8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.556 -2.208 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.256 -0.630 9.810 1.00 0.00 H new ATOM 0 HE ARG A 25 4.688 -0.044 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.400 -1.944 11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.976 -1.656 13.617 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.157 0.319 12.860 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.149 -0.381 14.143 1.00 0.00 H new ATOM 337 N GLU A 26 1.542 -0.994 8.476 1.00 0.00 N ATOM 338 CA GLU A 26 0.580 0.016 8.906 1.00 0.00 C ATOM 339 C GLU A 26 1.283 1.189 9.581 1.00 0.00 C ATOM 340 O GLU A 26 2.242 1.004 10.331 1.00 0.00 O ATOM 341 CB GLU A 26 -0.443 -0.599 9.861 1.00 0.00 C ATOM 342 CG GLU A 26 -1.526 -1.403 9.158 1.00 0.00 C ATOM 343 CD GLU A 26 -2.043 -2.550 10.004 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.444 -2.301 11.160 1.00 0.00 O ATOM 345 OE2 GLU A 26 -2.045 -3.697 9.511 1.00 0.00 O ATOM 0 H GLU A 26 1.362 -1.930 8.841 1.00 0.00 H new ATOM 0 HA GLU A 26 0.064 0.388 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.076 -1.245 10.569 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.911 0.197 10.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.355 -0.743 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.131 -1.797 8.221 1.00 0.00 H new ATOM 352 N GLY A 27 0.800 2.397 9.311 1.00 0.00 N ATOM 353 CA GLY A 27 1.395 3.582 9.899 1.00 0.00 C ATOM 354 C GLY A 27 2.755 3.901 9.311 1.00 0.00 C ATOM 355 O GLY A 27 3.602 4.497 9.975 1.00 0.00 O ATOM 0 H GLY A 27 0.007 2.576 8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.729 4.432 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.492 3.440 10.975 1.00 0.00 H new ATOM 359 N GLU A 28 2.964 3.502 8.059 1.00 0.00 N ATOM 360 CA GLU A 28 4.231 3.748 7.380 1.00 0.00 C ATOM 361 C GLU A 28 4.013 4.525 6.086 1.00 0.00 C ATOM 362 O GLU A 28 3.175 4.155 5.263 1.00 0.00 O ATOM 363 CB GLU A 28 4.937 2.424 7.081 1.00 0.00 C ATOM 364 CG GLU A 28 6.351 2.596 6.549 1.00 0.00 C ATOM 365 CD GLU A 28 7.406 2.378 7.616 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.736 3.348 8.331 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.901 1.238 7.738 1.00 0.00 O ATOM 0 H GLU A 28 2.272 3.008 7.495 1.00 0.00 H new ATOM 0 HA GLU A 28 4.859 4.347 8.040 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.970 1.826 7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.349 1.864 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.516 1.894 5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.460 3.598 6.135 1.00 0.00 H new ATOM 374 N PHE A 29 4.772 5.601 5.913 1.00 0.00 N ATOM 375 CA PHE A 29 4.662 6.430 4.718 1.00 0.00 C ATOM 376 C PHE A 29 5.296 5.739 3.516 1.00 0.00 C ATOM 377 O PHE A 29 6.469 5.365 3.551 1.00 0.00 O ATOM 378 CB PHE A 29 5.328 7.788 4.950 1.00 0.00 C ATOM 379 CG PHE A 29 4.408 8.816 5.544 1.00 0.00 C ATOM 380 CD1 PHE A 29 4.279 8.937 6.919 1.00 0.00 C ATOM 381 CD2 PHE A 29 3.675 9.662 4.728 1.00 0.00 C ATOM 382 CE1 PHE A 29 3.434 9.883 7.469 1.00 0.00 C ATOM 383 CE2 PHE A 29 2.828 10.609 5.272 1.00 0.00 C ATOM 384 CZ PHE A 29 2.707 10.719 6.643 1.00 0.00 C ATOM 0 H PHE A 29 5.470 5.920 6.585 1.00 0.00 H new ATOM 0 HA PHE A 29 3.603 6.583 4.509 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.185 7.655 5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.712 8.162 4.001 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.845 8.285 7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.766 9.581 3.655 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.342 9.968 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.261 11.262 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.045 11.458 7.070 1.00 0.00 H new ATOM 394 N VAL A 30 4.515 5.573 2.455 1.00 0.00 N ATOM 395 CA VAL A 30 5.002 4.926 1.243 1.00 0.00 C ATOM 396 C VAL A 30 4.463 5.618 -0.004 1.00 0.00 C ATOM 397 O VAL A 30 3.604 6.496 0.083 1.00 0.00 O ATOM 398 CB VAL A 30 4.606 3.438 1.201 1.00 0.00 C ATOM 399 CG1 VAL A 30 5.377 2.651 2.250 1.00 0.00 C ATOM 400 CG2 VAL A 30 3.107 3.279 1.400 1.00 0.00 C ATOM 0 H VAL A 30 3.543 5.877 2.410 1.00 0.00 H new ATOM 0 HA VAL A 30 6.089 5.005 1.259 1.00 0.00 H new ATOM 0 HB VAL A 30 4.863 3.040 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.084 1.602 2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.446 2.738 2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.154 3.048 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.846 2.221 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.822 3.693 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.577 3.808 0.608 1.00 0.00 H new ATOM 410 N THR A 31 4.973 5.218 -1.164 1.00 0.00 N ATOM 411 CA THR A 31 4.542 5.802 -2.429 1.00 0.00 C ATOM 412 C THR A 31 3.610 4.853 -3.178 1.00 0.00 C ATOM 413 O THR A 31 3.664 3.638 -2.990 1.00 0.00 O ATOM 414 CB THR A 31 5.755 6.135 -3.299 1.00 0.00 C ATOM 415 OG1 THR A 31 5.353 6.783 -4.493 1.00 0.00 O ATOM 416 CG2 THR A 31 6.565 4.917 -3.689 1.00 0.00 C ATOM 0 H THR A 31 5.684 4.493 -1.254 1.00 0.00 H new ATOM 0 HA THR A 31 3.996 6.720 -2.210 1.00 0.00 H new ATOM 0 HB THR A 31 6.379 6.786 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.143 6.989 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.410 5.224 -4.305 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.932 4.421 -2.790 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.937 4.227 -4.253 1.00 0.00 H new ATOM 424 N VAL A 32 2.758 5.418 -4.027 1.00 0.00 N ATOM 425 CA VAL A 32 1.814 4.623 -4.803 1.00 0.00 C ATOM 426 C VAL A 32 2.264 4.503 -6.256 1.00 0.00 C ATOM 427 O VAL A 32 1.443 4.487 -7.173 1.00 0.00 O ATOM 428 CB VAL A 32 0.399 5.229 -4.764 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.617 4.259 -5.351 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.019 5.613 -3.340 1.00 0.00 C ATOM 0 H VAL A 32 2.702 6.423 -4.195 1.00 0.00 H new ATOM 0 HA VAL A 32 1.787 3.633 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 32 0.397 6.133 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.610 4.706 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.356 4.041 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.613 3.335 -4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.984 6.039 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.041 4.727 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.728 6.348 -2.960 1.00 0.00 H new ATOM 440 N GLY A 33 3.575 4.420 -6.458 1.00 0.00 N ATOM 441 CA GLY A 33 4.113 4.303 -7.801 1.00 0.00 C ATOM 442 C GLY A 33 4.427 5.651 -8.420 1.00 0.00 C ATOM 443 O GLY A 33 5.590 5.977 -8.655 1.00 0.00 O ATOM 0 H GLY A 33 4.274 4.432 -5.716 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.020 3.699 -7.774 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.397 3.775 -8.431 1.00 0.00 H new ATOM 447 N ALA A 34 3.387 6.434 -8.683 1.00 0.00 N ATOM 448 CA ALA A 34 3.556 7.755 -9.278 1.00 0.00 C ATOM 449 C ALA A 34 2.234 8.514 -9.312 1.00 0.00 C ATOM 450 O ALA A 34 1.946 9.235 -10.267 1.00 0.00 O ATOM 451 CB ALA A 34 4.132 7.630 -10.681 1.00 0.00 C ATOM 0 H ALA A 34 2.418 6.177 -8.494 1.00 0.00 H new ATOM 0 HA ALA A 34 4.253 8.320 -8.659 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.253 8.623 -11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.101 7.134 -10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.454 7.044 -11.302 1.00 0.00 H new ATOM 457 N HIS A 35 1.434 8.346 -8.264 1.00 0.00 N ATOM 458 CA HIS A 35 0.141 9.015 -8.174 1.00 0.00 C ATOM 459 C HIS A 35 0.235 10.263 -7.301 1.00 0.00 C ATOM 460 O HIS A 35 0.144 11.386 -7.796 1.00 0.00 O ATOM 461 CB HIS A 35 -0.913 8.058 -7.613 1.00 0.00 C ATOM 462 CG HIS A 35 -1.977 7.693 -8.602 1.00 0.00 C ATOM 463 ND1 HIS A 35 -3.241 7.277 -8.252 1.00 0.00 N ATOM 464 CD2 HIS A 35 -1.943 7.691 -9.959 1.00 0.00 C ATOM 465 CE1 HIS A 35 -3.923 7.038 -9.381 1.00 0.00 C ATOM 466 NE2 HIS A 35 -3.180 7.275 -10.445 1.00 0.00 N ATOM 0 H HIS A 35 1.658 7.752 -7.465 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.156 9.320 -9.178 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.420 7.148 -7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.380 8.516 -6.741 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.093 7.968 -10.565 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.947 6.696 -9.415 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.455 7.174 -11.422 1.00 0.00 H new ATOM 474 N LYS A 36 0.416 10.058 -6.002 1.00 0.00 N ATOM 475 CA LYS A 36 0.522 11.167 -5.060 1.00 0.00 C ATOM 476 C LYS A 36 0.848 10.663 -3.658 1.00 0.00 C ATOM 477 O LYS A 36 0.358 11.199 -2.664 1.00 0.00 O ATOM 478 CB LYS A 36 -0.781 11.970 -5.037 1.00 0.00 C ATOM 479 CG LYS A 36 -1.987 11.159 -4.587 1.00 0.00 C ATOM 480 CD LYS A 36 -3.144 11.288 -5.564 1.00 0.00 C ATOM 481 CE LYS A 36 -4.043 10.063 -5.528 1.00 0.00 C ATOM 482 NZ LYS A 36 -4.544 9.701 -6.884 1.00 0.00 N ATOM 0 H LYS A 36 0.493 9.134 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 36 1.334 11.814 -5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.660 12.825 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.972 12.366 -6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.706 10.110 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.304 11.495 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.728 12.176 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.756 11.426 -6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.493 9.221 -5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.889 10.253 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.554 9.458 -6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.418 10.508 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.011 8.884 -7.245 1.00 0.00 H new ATOM 496 N THR A 37 1.679 9.628 -3.587 1.00 0.00 N ATOM 497 CA THR A 37 2.071 9.052 -2.306 1.00 0.00 C ATOM 498 C THR A 37 0.853 8.544 -1.541 1.00 0.00 C ATOM 499 O THR A 37 -0.287 8.814 -1.922 1.00 0.00 O ATOM 500 CB THR A 37 2.823 10.086 -1.466 1.00 0.00 C ATOM 501 OG1 THR A 37 3.307 11.140 -2.280 1.00 0.00 O ATOM 502 CG2 THR A 37 4.004 9.506 -0.718 1.00 0.00 C ATOM 0 H THR A 37 2.093 9.172 -4.400 1.00 0.00 H new ATOM 0 HA THR A 37 2.730 8.207 -2.503 1.00 0.00 H new ATOM 0 HB THR A 37 2.096 10.450 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.783 11.791 -1.723 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.492 10.293 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.658 8.724 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.713 9.083 -1.430 1.00 0.00 H new ATOM 510 N GLY A 38 1.101 7.808 -0.463 1.00 0.00 N ATOM 511 CA GLY A 38 0.014 7.276 0.337 1.00 0.00 C ATOM 512 C GLY A 38 0.505 6.420 1.487 1.00 0.00 C ATOM 513 O GLY A 38 1.342 5.536 1.299 1.00 0.00 O ATOM 0 H GLY A 38 2.035 7.571 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.581 8.100 0.730 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.644 6.683 -0.298 1.00 0.00 H new ATOM 517 N VAL A 39 -0.015 6.682 2.681 1.00 0.00 N ATOM 518 CA VAL A 39 0.377 5.929 3.867 1.00 0.00 C ATOM 519 C VAL A 39 -0.341 4.585 3.926 1.00 0.00 C ATOM 520 O VAL A 39 -1.413 4.416 3.344 1.00 0.00 O ATOM 521 CB VAL A 39 0.077 6.716 5.156 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.672 6.009 6.364 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.604 8.139 5.049 1.00 0.00 C ATOM 0 H VAL A 39 -0.709 7.410 2.853 1.00 0.00 H new ATOM 0 HA VAL A 39 1.452 5.761 3.795 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.004 6.763 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.450 6.580 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.241 5.012 6.451 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.752 5.928 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.382 8.679 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.682 8.117 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.125 8.642 4.209 1.00 0.00 H new ATOM 533 N VAL A 40 0.257 3.631 4.632 1.00 0.00 N ATOM 534 CA VAL A 40 -0.324 2.300 4.765 1.00 0.00 C ATOM 535 C VAL A 40 -1.356 2.261 5.889 1.00 0.00 C ATOM 536 O VAL A 40 -1.047 2.574 7.038 1.00 0.00 O ATOM 537 CB VAL A 40 0.757 1.239 5.042 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.170 -0.161 4.942 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.926 1.404 4.084 1.00 0.00 C ATOM 0 H VAL A 40 1.144 3.755 5.121 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.812 2.072 3.817 1.00 0.00 H new ATOM 0 HB VAL A 40 1.127 1.381 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.949 -0.897 5.141 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.630 -0.273 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.230 -0.317 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.680 0.645 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.575 1.291 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.363 2.395 4.210 1.00 0.00 H new ATOM 549 N ARG A 41 -2.581 1.874 5.547 1.00 0.00 N ATOM 550 CA ARG A 41 -3.657 1.792 6.527 1.00 0.00 C ATOM 551 C ARG A 41 -4.040 0.340 6.794 1.00 0.00 C ATOM 552 O ARG A 41 -4.433 -0.015 7.905 1.00 0.00 O ATOM 553 CB ARG A 41 -4.880 2.572 6.039 1.00 0.00 C ATOM 554 CG ARG A 41 -4.674 4.078 6.019 1.00 0.00 C ATOM 555 CD ARG A 41 -4.604 4.654 7.424 1.00 0.00 C ATOM 556 NE ARG A 41 -5.931 4.933 7.971 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.642 4.061 8.685 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.163 2.849 8.943 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.837 4.403 9.145 1.00 0.00 N ATOM 0 H ARG A 41 -2.853 1.613 4.599 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.301 2.233 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.138 2.236 5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.729 2.338 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.754 4.312 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.490 4.550 5.472 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.083 3.954 8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.018 5.573 7.410 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.338 5.852 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.244 2.579 8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.715 2.188 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.211 5.332 8.952 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.383 3.737 9.692 1.00 0.00 H new ATOM 573 N TYR A 42 -3.921 -0.496 5.768 1.00 0.00 N ATOM 574 CA TYR A 42 -4.256 -1.910 5.892 1.00 0.00 C ATOM 575 C TYR A 42 -3.263 -2.776 5.123 1.00 0.00 C ATOM 576 O TYR A 42 -2.773 -2.385 4.064 1.00 0.00 O ATOM 577 CB TYR A 42 -5.675 -2.168 5.382 1.00 0.00 C ATOM 578 CG TYR A 42 -6.180 -3.563 5.675 1.00 0.00 C ATOM 579 CD1 TYR A 42 -5.861 -4.627 4.840 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.975 -3.815 6.784 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.320 -5.903 5.104 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.439 -5.089 7.055 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.108 -6.129 6.212 1.00 0.00 C ATOM 584 OH TYR A 42 -7.567 -7.398 6.478 1.00 0.00 O ATOM 0 H TYR A 42 -3.595 -0.219 4.842 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.202 -2.177 6.947 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.352 -1.443 5.834 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.701 -2.000 4.305 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.244 -4.454 3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.236 -3.003 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.063 -6.719 4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.057 -5.269 7.922 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.107 -7.386 7.296 1.00 0.00 H new ATOM 594 N VAL A 43 -2.972 -3.955 5.664 1.00 0.00 N ATOM 595 CA VAL A 43 -2.039 -4.878 5.030 1.00 0.00 C ATOM 596 C VAL A 43 -2.381 -6.324 5.374 1.00 0.00 C ATOM 597 O VAL A 43 -2.095 -6.794 6.475 1.00 0.00 O ATOM 598 CB VAL A 43 -0.587 -4.593 5.456 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.385 -5.420 4.627 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.275 -3.110 5.334 1.00 0.00 C ATOM 0 H VAL A 43 -3.369 -4.293 6.540 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.129 -4.729 3.954 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.472 -4.879 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.406 -5.205 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.176 -6.480 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.270 -5.168 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.755 -2.929 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.408 -2.794 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.949 -2.542 5.976 1.00 0.00 H new ATOM 610 N GLY A 44 -2.992 -7.024 4.426 1.00 0.00 N ATOM 611 CA GLY A 44 -3.362 -8.410 4.649 1.00 0.00 C ATOM 612 C GLY A 44 -4.088 -9.017 3.463 1.00 0.00 C ATOM 613 O GLY A 44 -4.437 -8.310 2.518 1.00 0.00 O ATOM 0 H GLY A 44 -3.238 -6.657 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.465 -8.993 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.998 -8.475 5.532 1.00 0.00 H new ATOM 617 N PRO A 45 -4.331 -10.339 3.484 1.00 0.00 N ATOM 618 CA PRO A 45 -5.025 -11.032 2.393 1.00 0.00 C ATOM 619 C PRO A 45 -6.503 -10.663 2.320 1.00 0.00 C ATOM 620 O PRO A 45 -7.205 -10.671 3.330 1.00 0.00 O ATOM 621 CB PRO A 45 -4.859 -12.511 2.748 1.00 0.00 C ATOM 622 CG PRO A 45 -4.683 -12.527 4.228 1.00 0.00 C ATOM 623 CD PRO A 45 -3.951 -11.260 4.571 1.00 0.00 C ATOM 0 HA PRO A 45 -4.618 -10.767 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.731 -13.091 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.997 -12.945 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.647 -12.570 4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.117 -13.403 4.544 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.250 -10.875 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.873 -11.416 4.606 1.00 0.00 H new ATOM 631 N ALA A 46 -6.968 -10.339 1.118 1.00 0.00 N ATOM 632 CA ALA A 46 -8.363 -9.967 0.913 1.00 0.00 C ATOM 633 C ALA A 46 -9.267 -11.195 0.939 1.00 0.00 C ATOM 634 O ALA A 46 -8.794 -12.325 1.055 1.00 0.00 O ATOM 635 CB ALA A 46 -8.521 -9.221 -0.403 1.00 0.00 C ATOM 0 H ALA A 46 -6.399 -10.327 0.271 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.663 -9.310 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.567 -8.949 -0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.911 -8.318 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.199 -9.860 -1.225 1.00 0.00 H new ATOM 641 N ASP A 47 -10.572 -10.964 0.831 1.00 0.00 N ATOM 642 CA ASP A 47 -11.544 -12.052 0.841 1.00 0.00 C ATOM 643 C ASP A 47 -12.241 -12.171 -0.510 1.00 0.00 C ATOM 644 O ASP A 47 -12.527 -13.273 -0.977 1.00 0.00 O ATOM 645 CB ASP A 47 -12.579 -11.827 1.944 1.00 0.00 C ATOM 646 CG ASP A 47 -11.999 -12.019 3.331 1.00 0.00 C ATOM 647 OD1 ASP A 47 -11.309 -11.099 3.818 1.00 0.00 O ATOM 648 OD2 ASP A 47 -12.233 -13.090 3.930 1.00 0.00 O ATOM 0 H ASP A 47 -10.980 -10.034 0.736 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.010 -12.982 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.983 -10.818 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.411 -12.516 1.803 1.00 0.00 H new ATOM 653 N PHE A 48 -12.512 -11.029 -1.133 1.00 0.00 N ATOM 654 CA PHE A 48 -13.176 -11.005 -2.432 1.00 0.00 C ATOM 655 C PHE A 48 -12.237 -11.487 -3.532 1.00 0.00 C ATOM 656 O PHE A 48 -12.664 -12.139 -4.486 1.00 0.00 O ATOM 657 CB PHE A 48 -13.670 -9.593 -2.748 1.00 0.00 C ATOM 658 CG PHE A 48 -12.624 -8.534 -2.554 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.627 -8.343 -3.499 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.635 -7.728 -1.427 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.663 -7.370 -3.323 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.673 -6.752 -1.246 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.686 -6.573 -2.195 1.00 0.00 C ATOM 0 H PHE A 48 -12.282 -10.108 -0.760 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.031 -11.680 -2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.020 -9.562 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.527 -9.366 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.604 -8.963 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.404 -7.864 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.892 -7.232 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.693 -6.130 -0.363 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.933 -5.811 -2.056 1.00 0.00 H new ATOM 673 N GLN A 49 -10.956 -11.163 -3.395 1.00 0.00 N ATOM 674 CA GLN A 49 -9.955 -11.562 -4.378 1.00 0.00 C ATOM 675 C GLN A 49 -8.800 -12.299 -3.708 1.00 0.00 C ATOM 676 O GLN A 49 -8.438 -12.004 -2.569 1.00 0.00 O ATOM 677 CB GLN A 49 -9.428 -10.336 -5.126 1.00 0.00 C ATOM 678 CG GLN A 49 -10.201 -10.022 -6.397 1.00 0.00 C ATOM 679 CD GLN A 49 -10.148 -11.153 -7.405 1.00 0.00 C ATOM 680 OE1 GLN A 49 -9.079 -11.506 -7.903 1.00 0.00 O ATOM 681 NE2 GLN A 49 -11.307 -11.726 -7.712 1.00 0.00 N ATOM 0 H GLN A 49 -10.586 -10.624 -2.612 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.429 -12.237 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.467 -9.471 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.380 -10.497 -5.378 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.241 -9.814 -6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.796 -9.117 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.169 -11.400 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.335 -12.492 -8.386 1.00 0.00 H new ATOM 690 N GLU A 50 -8.223 -13.260 -4.424 1.00 0.00 N ATOM 691 CA GLU A 50 -7.108 -14.039 -3.900 1.00 0.00 C ATOM 692 C GLU A 50 -5.816 -13.228 -3.929 1.00 0.00 C ATOM 693 O GLU A 50 -5.607 -12.406 -4.821 1.00 0.00 O ATOM 694 CB GLU A 50 -6.933 -15.327 -4.709 1.00 0.00 C ATOM 695 CG GLU A 50 -6.801 -15.092 -6.204 1.00 0.00 C ATOM 696 CD GLU A 50 -8.053 -15.477 -6.969 1.00 0.00 C ATOM 697 OE1 GLU A 50 -9.155 -15.066 -6.549 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.931 -16.189 -7.988 1.00 0.00 O ATOM 0 H GLU A 50 -8.510 -13.517 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.332 -14.296 -2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.047 -15.853 -4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.786 -15.980 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.579 -14.040 -6.384 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.956 -15.666 -6.585 1.00 0.00 H new ATOM 705 N GLY A 51 -4.952 -13.466 -2.947 1.00 0.00 N ATOM 706 CA GLY A 51 -3.692 -12.751 -2.879 1.00 0.00 C ATOM 707 C GLY A 51 -3.646 -11.765 -1.728 1.00 0.00 C ATOM 708 O GLY A 51 -4.572 -11.700 -0.919 1.00 0.00 O ATOM 0 H GLY A 51 -5.103 -14.141 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.877 -13.467 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.529 -12.219 -3.816 1.00 0.00 H new ATOM 712 N THR A 52 -2.565 -10.995 -1.653 1.00 0.00 N ATOM 713 CA THR A 52 -2.402 -10.008 -0.592 1.00 0.00 C ATOM 714 C THR A 52 -2.619 -8.596 -1.125 1.00 0.00 C ATOM 715 O THR A 52 -2.148 -8.251 -2.208 1.00 0.00 O ATOM 716 CB THR A 52 -1.009 -10.123 0.029 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.469 -11.416 -0.182 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.994 -9.857 1.519 1.00 0.00 C ATOM 0 H THR A 52 -1.789 -11.036 -2.314 1.00 0.00 H new ATOM 0 HA THR A 52 -3.152 -10.207 0.174 1.00 0.00 H new ATOM 0 HB THR A 52 -0.409 -9.360 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.423 -11.468 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.024 -9.955 1.896 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.357 -8.847 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.638 -10.577 2.024 1.00 0.00 H new ATOM 726 N TRP A 53 -3.337 -7.783 -0.356 1.00 0.00 N ATOM 727 CA TRP A 53 -3.617 -6.407 -0.750 1.00 0.00 C ATOM 728 C TRP A 53 -3.192 -5.431 0.343 1.00 0.00 C ATOM 729 O TRP A 53 -3.135 -5.788 1.519 1.00 0.00 O ATOM 730 CB TRP A 53 -5.107 -6.235 -1.052 1.00 0.00 C ATOM 731 CG TRP A 53 -5.585 -7.087 -2.188 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.803 -8.435 -2.167 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.903 -6.649 -3.514 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.237 -8.861 -3.398 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.308 -7.784 -4.243 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.886 -5.407 -4.157 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.691 -7.714 -5.580 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.267 -5.339 -5.484 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.665 -6.487 -6.182 1.00 0.00 C ATOM 0 H TRP A 53 -3.735 -8.053 0.543 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.043 -6.189 -1.650 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.682 -6.478 -0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.305 -5.188 -1.284 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.656 -9.073 -1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.469 -9.823 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.581 -4.517 -3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.997 -8.597 -6.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.258 -4.386 -5.991 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.958 -6.401 -7.218 1.00 0.00 H new ATOM 750 N VAL A 54 -2.895 -4.198 -0.056 1.00 0.00 N ATOM 751 CA VAL A 54 -2.476 -3.170 0.889 1.00 0.00 C ATOM 752 C VAL A 54 -3.340 -1.919 0.757 1.00 0.00 C ATOM 753 O VAL A 54 -3.378 -1.288 -0.299 1.00 0.00 O ATOM 754 CB VAL A 54 -0.998 -2.784 0.682 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.536 -1.826 1.770 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.121 -4.027 0.648 1.00 0.00 C ATOM 0 H VAL A 54 -2.937 -3.887 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.597 -3.590 1.888 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.907 -2.276 -0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.510 -1.566 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.144 -0.922 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.642 -2.303 2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.919 -3.735 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.217 -4.566 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.436 -4.672 -0.172 1.00 0.00 H new ATOM 766 N GLY A 55 -4.031 -1.568 1.836 1.00 0.00 N ATOM 767 CA GLY A 55 -4.885 -0.395 1.818 1.00 0.00 C ATOM 768 C GLY A 55 -4.101 0.896 1.959 1.00 0.00 C ATOM 769 O GLY A 55 -3.687 1.262 3.059 1.00 0.00 O ATOM 0 H GLY A 55 -4.015 -2.074 2.722 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.449 -0.374 0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.611 -0.466 2.628 1.00 0.00 H new ATOM 773 N VAL A 56 -3.897 1.585 0.842 1.00 0.00 N ATOM 774 CA VAL A 56 -3.158 2.843 0.844 1.00 0.00 C ATOM 775 C VAL A 56 -4.100 4.034 0.979 1.00 0.00 C ATOM 776 O VAL A 56 -5.142 4.090 0.325 1.00 0.00 O ATOM 777 CB VAL A 56 -2.323 3.006 -0.440 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.409 4.218 -0.333 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.520 1.746 -0.720 1.00 0.00 C ATOM 0 H VAL A 56 -4.233 1.294 -0.076 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.488 2.814 1.703 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.004 3.167 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.827 4.317 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.010 5.115 -0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.734 4.091 0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.937 1.881 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.848 1.550 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.199 0.902 -0.845 1.00 0.00 H new ATOM 789 N GLU A 57 -3.729 4.983 1.831 1.00 0.00 N ATOM 790 CA GLU A 57 -4.541 6.172 2.052 1.00 0.00 C ATOM 791 C GLU A 57 -3.988 7.360 1.270 1.00 0.00 C ATOM 792 O GLU A 57 -2.803 7.680 1.363 1.00 0.00 O ATOM 793 CB GLU A 57 -4.597 6.509 3.543 1.00 0.00 C ATOM 794 CG GLU A 57 -5.944 7.048 3.995 1.00 0.00 C ATOM 795 CD GLU A 57 -5.830 8.379 4.713 1.00 0.00 C ATOM 796 OE1 GLU A 57 -5.117 8.443 5.736 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.456 9.357 4.252 1.00 0.00 O ATOM 0 H GLU A 57 -2.870 4.951 2.380 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.550 5.963 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.362 5.614 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.826 7.245 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.595 7.162 3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.418 6.322 4.656 1.00 0.00 H new ATOM 804 N LEU A 58 -4.855 8.010 0.500 1.00 0.00 N ATOM 805 CA LEU A 58 -4.453 9.162 -0.299 1.00 0.00 C ATOM 806 C LEU A 58 -4.930 10.461 0.342 1.00 0.00 C ATOM 807 O LEU A 58 -6.028 10.526 0.896 1.00 0.00 O ATOM 808 CB LEU A 58 -5.011 9.043 -1.718 1.00 0.00 C ATOM 809 CG LEU A 58 -4.762 7.698 -2.402 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.610 7.573 -3.657 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.285 7.537 -2.734 1.00 0.00 C ATOM 0 H LEU A 58 -5.840 7.759 0.413 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.364 9.180 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.086 9.223 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.574 9.831 -2.331 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.049 6.902 -1.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.420 6.610 -4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.665 7.645 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.355 8.375 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.124 6.575 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.973 8.339 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.699 7.582 -1.816 1.00 0.00 H new ATOM 823 N ASP A 59 -4.097 11.493 0.264 1.00 0.00 N ATOM 824 CA ASP A 59 -4.433 12.792 0.836 1.00 0.00 C ATOM 825 C ASP A 59 -5.500 13.494 0.003 1.00 0.00 C ATOM 826 O ASP A 59 -6.311 14.256 0.529 1.00 0.00 O ATOM 827 CB ASP A 59 -3.183 13.669 0.931 1.00 0.00 C ATOM 828 CG ASP A 59 -2.309 13.303 2.114 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.694 13.620 3.259 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.238 12.699 1.896 1.00 0.00 O ATOM 0 H ASP A 59 -3.184 11.455 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.830 12.629 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.605 13.573 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.481 14.714 1.013 1.00 0.00 H new ATOM 835 N LEU A 60 -5.493 13.235 -1.300 1.00 0.00 N ATOM 836 CA LEU A 60 -6.461 13.843 -2.206 1.00 0.00 C ATOM 837 C LEU A 60 -7.572 12.856 -2.559 1.00 0.00 C ATOM 838 O LEU A 60 -7.336 11.651 -2.656 1.00 0.00 O ATOM 839 CB LEU A 60 -5.764 14.321 -3.481 1.00 0.00 C ATOM 840 CG LEU A 60 -4.491 15.139 -3.256 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.485 14.875 -4.365 1.00 0.00 C ATOM 842 CD2 LEU A 60 -4.820 16.622 -3.173 1.00 0.00 C ATOM 0 H LEU A 60 -4.828 12.608 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.908 14.699 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.516 13.451 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.467 14.923 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.046 14.832 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.586 15.465 -4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.227 13.816 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.920 15.154 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.903 17.190 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.288 16.944 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.505 16.797 -2.343 1.00 0.00 H new ATOM 854 N PRO A 61 -8.804 13.356 -2.757 1.00 0.00 N ATOM 855 CA PRO A 61 -9.952 12.512 -3.101 1.00 0.00 C ATOM 856 C PRO A 61 -9.896 12.015 -4.541 1.00 0.00 C ATOM 857 O PRO A 61 -10.397 12.671 -5.455 1.00 0.00 O ATOM 858 CB PRO A 61 -11.145 13.447 -2.904 1.00 0.00 C ATOM 859 CG PRO A 61 -10.598 14.811 -3.150 1.00 0.00 C ATOM 860 CD PRO A 61 -9.174 14.782 -2.662 1.00 0.00 C ATOM 0 HA PRO A 61 -9.993 11.609 -2.492 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.952 13.212 -3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.555 13.360 -1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.642 15.064 -4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -11.177 15.565 -2.618 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.526 15.406 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.093 15.150 -1.639 1.00 0.00 H new ATOM 868 N SER A 62 -9.284 10.852 -4.738 1.00 0.00 N ATOM 869 CA SER A 62 -9.162 10.267 -6.068 1.00 0.00 C ATOM 870 C SER A 62 -8.610 8.848 -5.991 1.00 0.00 C ATOM 871 O SER A 62 -7.538 8.619 -5.431 1.00 0.00 O ATOM 872 CB SER A 62 -8.258 11.132 -6.948 1.00 0.00 C ATOM 873 OG SER A 62 -8.970 12.232 -7.487 1.00 0.00 O ATOM 0 H SER A 62 -8.865 10.296 -3.993 1.00 0.00 H new ATOM 0 HA SER A 62 -10.157 10.226 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.413 11.494 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.848 10.528 -7.758 1.00 0.00 H new ATOM 0 HG SER A 62 -9.776 12.393 -6.953 1.00 0.00 H new ATOM 879 N GLY A 63 -9.348 7.899 -6.557 1.00 0.00 N ATOM 880 CA GLY A 63 -8.916 6.515 -6.541 1.00 0.00 C ATOM 881 C GLY A 63 -10.050 5.551 -6.832 1.00 0.00 C ATOM 882 O GLY A 63 -10.519 5.459 -7.967 1.00 0.00 O ATOM 0 H GLY A 63 -10.238 8.064 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.126 6.375 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.487 6.283 -5.566 1.00 0.00 H new ATOM 886 N LYS A 64 -10.491 4.832 -5.805 1.00 0.00 N ATOM 887 CA LYS A 64 -11.578 3.871 -5.955 1.00 0.00 C ATOM 888 C LYS A 64 -12.029 3.346 -4.596 1.00 0.00 C ATOM 889 O LYS A 64 -11.218 3.168 -3.688 1.00 0.00 O ATOM 890 CB LYS A 64 -11.138 2.709 -6.850 1.00 0.00 C ATOM 891 CG LYS A 64 -11.771 2.734 -8.233 1.00 0.00 C ATOM 892 CD LYS A 64 -12.237 1.351 -8.659 1.00 0.00 C ATOM 893 CE LYS A 64 -13.297 1.431 -9.746 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.729 1.171 -11.100 1.00 0.00 N ATOM 0 H LYS A 64 -10.113 4.896 -4.860 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.421 4.379 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.053 2.733 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.390 1.768 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.618 3.420 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.051 3.115 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.386 0.775 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.638 0.819 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.085 0.707 -9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.759 2.418 -9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.485 1.235 -11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.995 1.877 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.311 0.219 -11.124 1.00 0.00 H new ATOM 908 N ASN A 65 -13.329 3.100 -4.466 1.00 0.00 N ATOM 909 CA ASN A 65 -13.893 2.595 -3.217 1.00 0.00 C ATOM 910 C ASN A 65 -13.712 3.607 -2.090 1.00 0.00 C ATOM 911 O ASN A 65 -12.650 4.214 -1.953 1.00 0.00 O ATOM 912 CB ASN A 65 -13.239 1.265 -2.836 1.00 0.00 C ATOM 913 CG ASN A 65 -13.410 0.209 -3.910 1.00 0.00 C ATOM 914 OD1 ASN A 65 -14.508 -0.309 -4.120 1.00 0.00 O ATOM 915 ND2 ASN A 65 -12.322 -0.117 -4.599 1.00 0.00 N ATOM 0 H ASN A 65 -14.012 3.242 -5.210 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.960 2.435 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -12.176 1.425 -2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.672 0.904 -1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.376 -0.821 -5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.432 0.337 -4.392 1.00 0.00 H new ATOM 922 N ASP A 66 -14.755 3.784 -1.287 1.00 0.00 N ATOM 923 CA ASP A 66 -14.712 4.722 -0.171 1.00 0.00 C ATOM 924 C ASP A 66 -14.251 4.028 1.107 1.00 0.00 C ATOM 925 O ASP A 66 -14.884 4.152 2.156 1.00 0.00 O ATOM 926 CB ASP A 66 -16.088 5.355 0.041 1.00 0.00 C ATOM 927 CG ASP A 66 -16.613 6.033 -1.208 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.791 6.560 -1.988 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.846 6.037 -1.409 1.00 0.00 O ATOM 0 H ASP A 66 -15.642 3.290 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.994 5.506 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.793 4.586 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.028 6.084 0.849 1.00 0.00 H new ATOM 934 N GLY A 67 -13.144 3.299 1.012 1.00 0.00 N ATOM 935 CA GLY A 67 -12.618 2.598 2.169 1.00 0.00 C ATOM 936 C GLY A 67 -13.042 1.142 2.207 1.00 0.00 C ATOM 937 O GLY A 67 -12.305 0.288 2.700 1.00 0.00 O ATOM 0 H GLY A 67 -12.602 3.181 0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.530 2.656 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.958 3.096 3.077 1.00 0.00 H new ATOM 941 N SER A 68 -14.232 0.860 1.688 1.00 0.00 N ATOM 942 CA SER A 68 -14.752 -0.503 1.665 1.00 0.00 C ATOM 943 C SER A 68 -15.074 -0.939 0.240 1.00 0.00 C ATOM 944 O SER A 68 -15.237 -0.106 -0.653 1.00 0.00 O ATOM 945 CB SER A 68 -16.004 -0.607 2.538 1.00 0.00 C ATOM 946 OG SER A 68 -17.149 -0.135 1.849 1.00 0.00 O ATOM 0 H SER A 68 -14.855 1.556 1.278 1.00 0.00 H new ATOM 0 HA SER A 68 -13.983 -1.166 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.158 -1.644 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.862 -0.030 3.452 1.00 0.00 H new ATOM 0 HG SER A 68 -17.935 -0.214 2.429 1.00 0.00 H new ATOM 952 N ILE A 69 -15.165 -2.248 0.033 1.00 0.00 N ATOM 953 CA ILE A 69 -15.468 -2.795 -1.284 1.00 0.00 C ATOM 954 C ILE A 69 -16.646 -3.760 -1.222 1.00 0.00 C ATOM 955 O ILE A 69 -16.624 -4.735 -0.470 1.00 0.00 O ATOM 956 CB ILE A 69 -14.250 -3.527 -1.881 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.997 -2.657 -1.767 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.514 -3.898 -3.333 1.00 0.00 C ATOM 959 CD1 ILE A 69 -12.347 -2.713 -0.402 1.00 0.00 C ATOM 0 H ILE A 69 -15.033 -2.950 0.761 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.727 -1.952 -1.924 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.084 -4.444 -1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.274 -2.974 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.260 -1.624 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.645 -4.414 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.384 -4.552 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.703 -2.993 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.465 -2.073 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.054 -2.367 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.053 -3.739 -0.181 1.00 0.00 H new ATOM 971 N GLY A 70 -17.674 -3.483 -2.018 1.00 0.00 N ATOM 972 CA GLY A 70 -18.847 -4.336 -2.039 1.00 0.00 C ATOM 973 C GLY A 70 -19.615 -4.300 -0.732 1.00 0.00 C ATOM 974 O GLY A 70 -20.659 -3.656 -0.635 1.00 0.00 O ATOM 0 H GLY A 70 -17.715 -2.683 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.504 -4.025 -2.851 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.543 -5.361 -2.250 1.00 0.00 H new ATOM 978 N GLY A 71 -19.097 -4.994 0.276 1.00 0.00 N ATOM 979 CA GLY A 71 -19.752 -5.025 1.570 1.00 0.00 C ATOM 980 C GLY A 71 -18.805 -5.401 2.693 1.00 0.00 C ATOM 981 O GLY A 71 -19.205 -6.051 3.659 1.00 0.00 O ATOM 0 H GLY A 71 -18.235 -5.536 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.186 -4.047 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.575 -5.739 1.540 1.00 0.00 H new ATOM 985 N LYS A 72 -17.548 -4.990 2.566 1.00 0.00 N ATOM 986 CA LYS A 72 -16.542 -5.288 3.578 1.00 0.00 C ATOM 987 C LYS A 72 -15.519 -4.160 3.676 1.00 0.00 C ATOM 988 O LYS A 72 -14.843 -3.836 2.700 1.00 0.00 O ATOM 989 CB LYS A 72 -15.835 -6.605 3.253 1.00 0.00 C ATOM 990 CG LYS A 72 -14.785 -7.003 4.278 1.00 0.00 C ATOM 991 CD LYS A 72 -15.375 -7.083 5.677 1.00 0.00 C ATOM 992 CE LYS A 72 -14.517 -7.939 6.594 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.972 -7.865 8.011 1.00 0.00 N ATOM 0 H LYS A 72 -17.202 -4.450 1.773 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.047 -5.382 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.579 -7.398 3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.362 -6.522 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.357 -7.968 4.007 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.970 -6.279 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.465 -6.080 6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.381 -7.499 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.547 -8.975 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.479 -7.613 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.361 -8.463 8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.919 -6.880 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.954 -8.200 8.078 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.412 -3.567 4.861 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.473 -2.474 5.085 1.00 0.00 C ATOM 1009 C GLN A 73 -13.087 -3.011 5.434 1.00 0.00 C ATOM 1010 O GLN A 73 -12.906 -4.213 5.623 1.00 0.00 O ATOM 1011 CB GLN A 73 -14.979 -1.562 6.206 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.883 -0.082 5.874 1.00 0.00 C ATOM 1013 CD GLN A 73 -16.238 0.599 5.824 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -17.274 -0.037 6.015 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.235 1.901 5.564 1.00 0.00 N ATOM 0 H GLN A 73 -15.963 -3.825 5.680 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.397 -1.897 4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.018 -1.810 6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.406 -1.761 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.260 0.413 6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.385 0.038 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.352 2.389 5.412 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.116 2.414 5.516 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.114 -2.109 5.518 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.744 -2.491 5.844 1.00 0.00 C ATOM 1026 C TYR A 74 -10.096 -1.460 6.761 1.00 0.00 C ATOM 1027 O TYR A 74 -9.812 -1.740 7.926 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.918 -2.646 4.567 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.273 -3.875 3.759 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.367 -3.875 2.903 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.514 -5.034 3.854 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.695 -4.996 2.165 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.835 -6.159 3.119 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.925 -6.135 2.276 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.249 -7.253 1.542 1.00 0.00 O ATOM 0 H TYR A 74 -12.248 -1.110 5.365 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.774 -3.447 6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.056 -1.761 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.861 -2.688 4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.971 -2.984 2.813 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.659 -5.056 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.550 -4.981 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.235 -7.053 3.205 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.929 -7.021 0.876 1.00 0.00 H new ATOM 1045 N PHE A 75 -9.866 -0.265 6.229 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.252 0.811 7.000 1.00 0.00 C ATOM 1047 C PHE A 75 -10.279 1.881 7.361 1.00 0.00 C ATOM 1048 O PHE A 75 -10.119 2.600 8.347 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.101 1.438 6.211 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.441 1.727 4.776 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.985 2.948 4.411 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.215 0.776 3.794 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.298 3.215 3.093 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.527 1.038 2.472 1.00 0.00 C ATOM 1055 CZ PHE A 75 -9.069 2.260 2.121 1.00 0.00 C ATOM 0 H PHE A 75 -10.095 -0.016 5.267 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.862 0.384 7.924 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -7.801 2.366 6.698 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.242 0.768 6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.166 3.699 5.166 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.791 -0.180 4.064 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.722 4.171 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.347 0.289 1.715 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.313 2.468 1.090 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.335 1.981 6.557 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.387 2.964 6.794 1.00 0.00 C ATOM 1067 C ARG A 76 -11.848 4.384 6.649 1.00 0.00 C ATOM 1068 O ARG A 76 -10.953 4.798 7.385 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.989 2.775 8.190 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.487 3.029 8.245 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.076 2.590 9.576 1.00 0.00 C ATOM 1072 NE ARG A 76 -16.402 3.159 9.801 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.516 2.689 9.245 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -17.468 1.642 8.430 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.681 3.266 9.504 1.00 0.00 N ATOM 0 H ARG A 76 -11.484 1.393 5.737 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.166 2.811 6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.788 1.759 8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.489 3.448 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.683 4.090 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.978 2.493 7.433 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.139 1.502 9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.410 2.892 10.384 1.00 0.00 H new ATOM 0 HE ARG A 76 -16.479 3.965 10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.574 1.194 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.325 1.286 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -18.724 4.070 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.535 2.906 9.078 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.401 5.126 5.695 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.976 6.499 5.452 1.00 0.00 C ATOM 1091 C CYS A 77 -13.016 7.254 4.631 1.00 0.00 C ATOM 1092 O CYS A 77 -14.049 6.698 4.256 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.627 6.518 4.729 1.00 0.00 C ATOM 1094 SG CYS A 77 -9.516 7.836 5.275 1.00 0.00 S ATOM 0 H CYS A 77 -13.144 4.799 5.078 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.871 6.996 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.134 5.557 4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.802 6.625 3.658 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.748 8.193 4.288 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.738 8.524 4.356 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.650 9.356 3.579 1.00 0.00 C ATOM 1102 C ASN A 78 -13.758 8.850 2.142 1.00 0.00 C ATOM 1103 O ASN A 78 -12.844 8.199 1.633 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.175 10.810 3.584 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.141 11.402 4.980 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -12.241 11.113 5.767 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.128 12.235 5.293 1.00 0.00 N ATOM 0 H ASN A 78 -11.888 9.000 4.660 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.636 9.300 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.179 10.866 3.144 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.835 11.407 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.160 12.663 6.218 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.854 12.446 4.608 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.882 9.144 1.465 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.104 8.715 0.080 1.00 0.00 C ATOM 1116 C PRO A 79 -14.125 9.368 -0.890 1.00 0.00 C ATOM 1117 O PRO A 79 -14.216 10.563 -1.168 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.536 9.173 -0.217 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.798 10.267 0.758 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.021 9.915 1.994 1.00 0.00 C ATOM 0 HA PRO A 79 -14.955 7.642 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.633 9.527 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.246 8.355 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.480 11.230 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.863 10.348 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.691 10.805 2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.617 9.326 2.691 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.187 8.576 -1.398 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.202 9.096 -2.330 1.00 0.00 C ATOM 1130 C GLY A 80 -10.793 9.046 -1.773 1.00 0.00 C ATOM 1131 O GLY A 80 -9.822 9.014 -2.528 1.00 0.00 O ATOM 0 H GLY A 80 -13.091 7.584 -1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.244 8.522 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.453 10.126 -2.582 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.681 9.040 -0.448 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.379 8.996 0.209 1.00 0.00 C ATOM 1137 C TYR A 81 -9.034 7.573 0.635 1.00 0.00 C ATOM 1138 O TYR A 81 -8.369 7.362 1.649 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.369 9.921 1.427 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.805 11.335 1.119 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.142 11.636 0.889 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.880 12.370 1.056 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.544 12.927 0.606 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.275 13.663 0.774 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.607 13.937 0.549 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.004 15.224 0.268 1.00 0.00 O ATOM 0 H TYR A 81 -11.475 9.065 0.191 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.627 9.336 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.025 9.506 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.363 9.943 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.879 10.848 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.835 12.160 1.230 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.587 13.144 0.430 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.543 14.456 0.730 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.222 15.815 0.266 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.489 6.599 -0.147 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.216 5.208 0.165 1.00 0.00 C ATOM 1158 C GLY A 82 -9.044 4.358 -1.078 1.00 0.00 C ATOM 1159 O GLY A 82 -9.867 4.409 -1.992 1.00 0.00 O ATOM 0 H GLY A 82 -10.042 6.748 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.313 5.146 0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.032 4.807 0.766 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.972 3.573 -1.111 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.695 2.707 -2.252 1.00 0.00 C ATOM 1165 C LEU A 83 -6.843 1.513 -1.835 1.00 0.00 C ATOM 1166 O LEU A 83 -5.780 1.675 -1.236 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.985 3.495 -3.356 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.742 2.717 -4.650 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.059 2.415 -5.347 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.815 3.496 -5.573 1.00 0.00 C ATOM 0 H LEU A 83 -7.282 3.519 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.646 2.335 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.577 4.381 -3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.026 3.844 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.263 1.771 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.866 1.861 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.690 1.818 -4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.566 3.349 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.652 2.928 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.268 4.457 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.860 3.661 -5.074 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.317 0.314 -2.156 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.599 -0.909 -1.816 1.00 0.00 C ATOM 1184 C LEU A 84 -5.880 -1.474 -3.037 1.00 0.00 C ATOM 1185 O LEU A 84 -6.514 -1.964 -3.971 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.565 -1.951 -1.247 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.503 -2.130 0.271 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.854 -2.573 0.812 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.422 -3.135 0.644 1.00 0.00 C ATOM 0 H LEU A 84 -8.196 0.163 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.853 -0.666 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.582 -1.671 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.359 -2.911 -1.720 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.251 -1.170 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.791 -2.695 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.605 -1.820 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.135 -3.522 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.391 -3.251 1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.645 -4.097 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.455 -2.778 0.290 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.553 -1.401 -3.021 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.748 -1.906 -4.127 1.00 0.00 C ATOM 1203 C VAL A 85 -2.771 -2.976 -3.652 1.00 0.00 C ATOM 1204 O VAL A 85 -2.461 -3.065 -2.464 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.957 -0.773 -4.809 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.892 0.127 -5.603 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -2.179 0.030 -3.778 1.00 0.00 C ATOM 0 H VAL A 85 -4.013 -0.998 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.440 -2.342 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.243 -1.218 -5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.316 0.921 -6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.400 -0.460 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.631 0.566 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.627 0.826 -4.278 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.872 0.466 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.480 -0.625 -3.258 1.00 0.00 H new ATOM 1217 N ARG A 86 -2.288 -3.787 -4.588 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.346 -4.851 -4.265 1.00 0.00 C ATOM 1219 C ARG A 86 -0.009 -4.276 -3.805 1.00 0.00 C ATOM 1220 O ARG A 86 0.366 -3.169 -4.193 1.00 0.00 O ATOM 1221 CB ARG A 86 -1.131 -5.757 -5.480 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.422 -6.149 -6.183 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.694 -7.641 -6.072 1.00 0.00 C ATOM 1224 NE ARG A 86 -3.102 -8.220 -7.349 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.256 -8.511 -8.335 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -0.957 -8.280 -8.194 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.710 -9.034 -9.465 1.00 0.00 N ATOM 0 H ARG A 86 -2.534 -3.727 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.768 -5.439 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.480 -5.249 -6.191 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.612 -6.661 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.255 -5.594 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.364 -5.867 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.797 -8.147 -5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.474 -7.813 -5.330 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.093 -8.413 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.602 -7.877 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.314 -8.505 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.708 -9.214 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.062 -9.257 -10.220 1.00 0.00 H new ATOM 1241 N PRO A 87 0.732 -5.023 -2.968 1.00 0.00 N ATOM 1242 CA PRO A 87 2.034 -4.581 -2.458 1.00 0.00 C ATOM 1243 C PRO A 87 2.978 -4.152 -3.575 1.00 0.00 C ATOM 1244 O PRO A 87 3.859 -3.317 -3.371 1.00 0.00 O ATOM 1245 CB PRO A 87 2.578 -5.821 -1.746 1.00 0.00 C ATOM 1246 CG PRO A 87 1.368 -6.605 -1.370 1.00 0.00 C ATOM 1247 CD PRO A 87 0.359 -6.356 -2.457 1.00 0.00 C ATOM 0 HA PRO A 87 1.942 -3.708 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.235 -6.396 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.162 -5.548 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.601 -7.667 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.983 -6.288 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.413 -7.115 -3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.660 -6.368 -2.070 1.00 0.00 H new ATOM 1255 N SER A 88 2.788 -4.730 -4.756 1.00 0.00 N ATOM 1256 CA SER A 88 3.621 -4.408 -5.909 1.00 0.00 C ATOM 1257 C SER A 88 3.392 -2.971 -6.368 1.00 0.00 C ATOM 1258 O SER A 88 4.270 -2.355 -6.971 1.00 0.00 O ATOM 1259 CB SER A 88 3.331 -5.375 -7.059 1.00 0.00 C ATOM 1260 OG SER A 88 4.451 -5.497 -7.918 1.00 0.00 O ATOM 0 H SER A 88 2.064 -5.424 -4.940 1.00 0.00 H new ATOM 0 HA SER A 88 4.664 -4.510 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.068 -6.354 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.470 -5.022 -7.627 1.00 0.00 H new ATOM 0 HG SER A 88 4.240 -6.121 -8.643 1.00 0.00 H new ATOM 1266 N ARG A 89 2.206 -2.443 -6.079 1.00 0.00 N ATOM 1267 CA ARG A 89 1.864 -1.078 -6.465 1.00 0.00 C ATOM 1268 C ARG A 89 2.355 -0.065 -5.431 1.00 0.00 C ATOM 1269 O ARG A 89 2.092 1.132 -5.554 1.00 0.00 O ATOM 1270 CB ARG A 89 0.351 -0.945 -6.644 1.00 0.00 C ATOM 1271 CG ARG A 89 -0.172 -1.619 -7.902 1.00 0.00 C ATOM 1272 CD ARG A 89 0.024 -0.741 -9.127 1.00 0.00 C ATOM 1273 NE ARG A 89 -1.076 -0.876 -10.078 1.00 0.00 N ATOM 1274 CZ ARG A 89 -2.254 -0.272 -9.941 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -2.490 0.507 -8.893 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -3.199 -0.448 -10.854 1.00 0.00 N ATOM 0 H ARG A 89 1.467 -2.939 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 89 2.362 -0.865 -7.411 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.149 -1.375 -5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.088 0.112 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.342 -2.569 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.231 -1.845 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.109 0.300 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.961 -1.006 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.933 -1.468 -10.896 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.767 0.645 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.395 0.967 -8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.023 -1.046 -11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.102 0.015 -10.749 1.00 0.00 H new ATOM 1290 N VAL A 90 3.067 -0.544 -4.414 1.00 0.00 N ATOM 1291 CA VAL A 90 3.587 0.330 -3.369 1.00 0.00 C ATOM 1292 C VAL A 90 5.097 0.170 -3.220 1.00 0.00 C ATOM 1293 O VAL A 90 5.641 -0.911 -3.438 1.00 0.00 O ATOM 1294 CB VAL A 90 2.916 0.046 -2.011 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.352 1.069 -0.973 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.401 0.035 -2.154 1.00 0.00 C ATOM 0 H VAL A 90 3.296 -1.530 -4.292 1.00 0.00 H new ATOM 0 HA VAL A 90 3.360 1.352 -3.671 1.00 0.00 H new ATOM 0 HB VAL A 90 3.233 -0.940 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.867 0.851 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.434 1.022 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.068 2.068 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.945 -0.167 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.063 1.005 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.108 -0.741 -2.861 1.00 0.00 H new ATOM 1306 N ARG A 91 5.767 1.256 -2.849 1.00 0.00 N ATOM 1307 CA ARG A 91 7.215 1.237 -2.673 1.00 0.00 C ATOM 1308 C ARG A 91 7.635 2.147 -1.523 1.00 0.00 C ATOM 1309 O ARG A 91 6.851 2.972 -1.053 1.00 0.00 O ATOM 1310 CB ARG A 91 7.911 1.670 -3.963 1.00 0.00 C ATOM 1311 CG ARG A 91 7.392 0.960 -5.202 1.00 0.00 C ATOM 1312 CD ARG A 91 8.373 1.066 -6.359 1.00 0.00 C ATOM 1313 NE ARG A 91 7.934 2.035 -7.361 1.00 0.00 N ATOM 1314 CZ ARG A 91 8.391 2.068 -8.611 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.301 1.189 -9.015 1.00 0.00 N ATOM 1316 NH2 ARG A 91 7.938 2.981 -9.458 1.00 0.00 N ATOM 0 H ARG A 91 5.331 2.160 -2.665 1.00 0.00 H new ATOM 0 HA ARG A 91 7.514 0.217 -2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.785 2.745 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.981 1.484 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.212 -0.090 -4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.435 1.391 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.352 1.356 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.489 0.088 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 91 7.236 2.727 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.653 0.485 -8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.648 1.218 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.239 3.658 -9.152 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.288 3.006 -10.416 1.00 0.00 H new ATOM 1330 N ARG A 92 8.877 1.992 -1.077 1.00 0.00 N ATOM 1331 CA ARG A 92 9.403 2.800 0.017 1.00 0.00 C ATOM 1332 C ARG A 92 9.373 4.282 -0.340 1.00 0.00 C ATOM 1333 O ARG A 92 9.458 4.651 -1.512 1.00 0.00 O ATOM 1334 CB ARG A 92 10.832 2.369 0.355 1.00 0.00 C ATOM 1335 CG ARG A 92 11.063 2.138 1.840 1.00 0.00 C ATOM 1336 CD ARG A 92 12.542 2.190 2.188 1.00 0.00 C ATOM 1337 NE ARG A 92 12.765 2.610 3.569 1.00 0.00 N ATOM 1338 CZ ARG A 92 12.635 1.803 4.621 1.00 0.00 C ATOM 1339 NH1 ARG A 92 12.282 0.534 4.453 1.00 0.00 N ATOM 1340 NH2 ARG A 92 12.858 2.265 5.842 1.00 0.00 N ATOM 0 H ARG A 92 9.538 1.314 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 92 8.770 2.644 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.064 1.452 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.526 3.132 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.526 2.893 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.654 1.169 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.986 1.207 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 92 13.049 2.879 1.513 1.00 0.00 H new ATOM 0 HE ARG A 92 13.036 3.579 3.738 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.109 0.173 3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 92 12.184 -0.079 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.129 3.239 5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.758 1.647 6.647 1.00 0.00 H new ATOM 1354 N ALA A 93 9.253 5.130 0.677 1.00 0.00 N ATOM 1355 CA ALA A 93 9.213 6.572 0.470 1.00 0.00 C ATOM 1356 C ALA A 93 10.429 7.249 1.091 1.00 0.00 C ATOM 1357 O ALA A 93 10.383 7.705 2.234 1.00 0.00 O ATOM 1358 CB ALA A 93 7.931 7.151 1.047 1.00 0.00 C ATOM 0 H ALA A 93 9.182 4.842 1.653 1.00 0.00 H new ATOM 0 HA ALA A 93 9.234 6.762 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.914 8.229 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.072 6.696 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.887 6.943 2.116 1.00 0.00 H new ATOM 1364 N THR A 94 11.517 7.314 0.330 1.00 0.00 N ATOM 1365 CA THR A 94 12.747 7.937 0.806 1.00 0.00 C ATOM 1366 C THR A 94 13.473 8.646 -0.331 1.00 0.00 C ATOM 1367 O THR A 94 14.425 8.113 -0.902 1.00 0.00 O ATOM 1368 CB THR A 94 13.663 6.887 1.436 1.00 0.00 C ATOM 1369 OG1 THR A 94 13.561 5.654 0.748 1.00 0.00 O ATOM 1370 CG2 THR A 94 13.359 6.625 2.895 1.00 0.00 C ATOM 0 H THR A 94 11.572 6.943 -0.619 1.00 0.00 H new ATOM 0 HA THR A 94 12.482 8.678 1.560 1.00 0.00 H new ATOM 0 HB THR A 94 14.669 7.299 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.156 4.996 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.045 5.870 3.280 1.00 0.00 H new ATOM 0 HG22 THR A 94 13.479 7.548 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 94 12.334 6.268 2.995 1.00 0.00 H new ATOM 1378 N SER A 95 13.020 9.853 -0.657 1.00 0.00 N ATOM 1379 CA SER A 95 13.627 10.636 -1.725 1.00 0.00 C ATOM 1380 C SER A 95 14.999 11.157 -1.306 1.00 0.00 C ATOM 1381 O SER A 95 15.345 11.139 -0.125 1.00 0.00 O ATOM 1382 CB SER A 95 12.720 11.806 -2.107 1.00 0.00 C ATOM 1383 OG SER A 95 12.729 12.024 -3.507 1.00 0.00 O ATOM 0 H SER A 95 12.233 10.309 -0.195 1.00 0.00 H new ATOM 0 HA SER A 95 13.754 9.986 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.702 11.604 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.050 12.709 -1.593 1.00 0.00 H new ATOM 0 HG SER A 95 12.140 12.776 -3.725 1.00 0.00 H new ATOM 1389 N GLY A 96 15.774 11.619 -2.282 1.00 0.00 N ATOM 1390 CA GLY A 96 17.098 12.138 -1.992 1.00 0.00 C ATOM 1391 C GLY A 96 18.141 11.656 -2.982 1.00 0.00 C ATOM 1392 O GLY A 96 18.877 10.710 -2.698 1.00 0.00 O ATOM 0 H GLY A 96 15.509 11.643 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.068 13.228 -2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.390 11.837 -0.986 1.00 0.00 H new ATOM 1396 N PRO A 97 18.231 12.291 -4.164 1.00 0.00 N ATOM 1397 CA PRO A 97 19.203 11.909 -5.193 1.00 0.00 C ATOM 1398 C PRO A 97 20.633 12.263 -4.799 1.00 0.00 C ATOM 1399 O PRO A 97 21.580 11.571 -5.172 1.00 0.00 O ATOM 1400 CB PRO A 97 18.767 12.724 -6.412 1.00 0.00 C ATOM 1401 CG PRO A 97 18.066 13.908 -5.844 1.00 0.00 C ATOM 1402 CD PRO A 97 17.394 13.429 -4.586 1.00 0.00 C ATOM 0 HA PRO A 97 19.214 10.833 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 97 19.624 13.023 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 97 18.107 12.146 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 97 18.770 14.712 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 97 17.336 14.305 -6.550 1.00 0.00 H new ATOM 0 HD2 PRO A 97 17.363 14.209 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.364 13.123 -4.772 1.00 0.00 H new ATOM 1410 N SER A 98 20.782 13.347 -4.044 1.00 0.00 N ATOM 1411 CA SER A 98 22.096 13.793 -3.600 1.00 0.00 C ATOM 1412 C SER A 98 22.035 14.332 -2.173 1.00 0.00 C ATOM 1413 O SER A 98 22.855 13.974 -1.328 1.00 0.00 O ATOM 1414 CB SER A 98 22.637 14.872 -4.540 1.00 0.00 C ATOM 1415 OG SER A 98 22.295 14.593 -5.887 1.00 0.00 O ATOM 0 H SER A 98 20.009 13.932 -3.727 1.00 0.00 H new ATOM 0 HA SER A 98 22.767 12.934 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.235 15.844 -4.253 1.00 0.00 H new ATOM 0 HB3 SER A 98 23.721 14.934 -4.442 1.00 0.00 H new ATOM 0 HG SER A 98 22.651 15.298 -6.468 1.00 0.00 H new ATOM 1421 N SER A 99 21.057 15.193 -1.914 1.00 0.00 N ATOM 1422 CA SER A 99 20.887 15.783 -0.590 1.00 0.00 C ATOM 1423 C SER A 99 20.706 14.700 0.470 1.00 0.00 C ATOM 1424 O SER A 99 20.153 13.635 0.196 1.00 0.00 O ATOM 1425 CB SER A 99 19.684 16.726 -0.581 1.00 0.00 C ATOM 1426 OG SER A 99 19.720 17.611 -1.688 1.00 0.00 O ATOM 0 H SER A 99 20.370 15.498 -2.603 1.00 0.00 H new ATOM 0 HA SER A 99 21.787 16.350 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.762 16.145 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 99 19.674 17.299 0.346 1.00 0.00 H new ATOM 0 HG SER A 99 18.939 18.202 -1.660 1.00 0.00 H new ATOM 1432 N GLY A 100 21.177 14.981 1.681 1.00 0.00 N ATOM 1433 CA GLY A 100 21.057 14.021 2.763 1.00 0.00 C ATOM 1434 C GLY A 100 20.711 14.679 4.085 1.00 0.00 C ATOM 1435 O GLY A 100 20.138 13.992 4.956 1.00 0.00 O ATOM 1436 OXT GLY A 100 21.012 15.880 4.247 1.00 0.00 O ATOM 0 H GLY A 100 21.639 15.855 1.932 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.289 13.290 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 100 21.995 13.475 2.866 1.00 0.00 H new TER 1440 GLY A 100