USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 937 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 87 THR OG1 : rot 180:sc= 0.829 USER MOD Set 1.2: A 97 THR OG1 : rot -74:sc= 0.944 USER MOD Single : A 1 ALA N :NH3+ -102:sc= 0.165 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 94:sc= 1.17 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 131:sc= -0.0244 (180deg=-0.297) USER MOD Single : A 17 TYR OH : rot -48:sc= 1.1 USER MOD Single : A 22 CYS SG : rot 129:sc= 0.477 USER MOD Single : A 25 LYS NZ :NH3+ 146:sc= 1.14 (180deg=0.0558) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.2) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0314 USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= 0.31 (180deg=-0.141) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 1.25 (180deg=1.11) USER MOD Single : A 41 GLN : amide:sc= 0.935 K(o=0.93,f=-4.3!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -81:sc= -1.39! USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.41 F(o=-3,f=-1.4) USER MOD Single : A 49 GLN : amide:sc= -0.0274 K(o=-0.027,f=-2.5) USER MOD Single : A 52 GLN : amide:sc= -1.07! C(o=-1.1!,f=-8.2!) USER MOD Single : A 54 LYS NZ :NH3+ -156:sc= -0.0991 (180deg=-0.473) USER MOD Single : A 65 THR OG1 : rot -134:sc= -0.331 USER MOD Single : A 67 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 128:sc= 1.28 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.252 F(o=-2,f=-0.25) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 86:sc= 1.23 USER MOD Single : A 86 TYR OH : rot -94:sc= -1.31! USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 102 SER OG : rot -160:sc= 0 USER MOD Single : A 104 CYS SG : rot -113:sc= 1.17 USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= -0.716! (180deg=-1.72!) USER MOD Single : A 110 HIS : no HE2:sc= 0.597 K(o=0.6,f=-5.7!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.468 8.549 -15.680 1.00 0.00 N ATOM 2 CA ALA A 1 6.546 9.578 -15.223 1.00 0.00 C ATOM 3 C ALA A 1 7.264 10.482 -14.253 1.00 0.00 C ATOM 4 O ALA A 1 8.301 10.094 -13.700 1.00 0.00 O ATOM 5 CB ALA A 1 5.344 8.942 -14.550 1.00 0.00 C ATOM 0 H1 ALA A 1 7.811 8.789 -16.632 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.274 8.490 -15.026 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.978 7.632 -15.709 1.00 0.00 H new ATOM 0 HA ALA A 1 6.196 10.159 -16.076 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.661 9.722 -14.212 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.831 8.293 -15.260 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.675 8.354 -13.694 1.00 0.00 H new ATOM 13 N ASP A 2 6.738 11.684 -14.045 1.00 0.00 N ATOM 14 CA ASP A 2 7.322 12.625 -13.088 1.00 0.00 C ATOM 15 C ASP A 2 7.023 12.153 -11.691 1.00 0.00 C ATOM 16 O ASP A 2 7.939 11.928 -10.884 1.00 0.00 O ATOM 17 CB ASP A 2 6.753 14.043 -13.275 1.00 0.00 C ATOM 18 CG ASP A 2 7.304 15.051 -12.265 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.836 15.085 -11.107 1.00 0.00 O ATOM 20 OD2 ASP A 2 8.200 15.842 -12.625 1.00 0.00 O ATOM 0 H ASP A 2 5.908 12.033 -14.525 1.00 0.00 H new ATOM 0 HA ASP A 2 8.398 12.664 -13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.979 14.388 -14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.667 14.006 -13.187 1.00 0.00 H new ATOM 25 N GLU A 3 5.746 11.958 -11.427 1.00 0.00 N ATOM 26 CA GLU A 3 5.292 11.528 -10.136 1.00 0.00 C ATOM 27 C GLU A 3 5.578 10.058 -9.920 1.00 0.00 C ATOM 28 O GLU A 3 5.120 9.202 -10.696 1.00 0.00 O ATOM 29 CB GLU A 3 3.795 11.731 -9.965 1.00 0.00 C ATOM 30 CG GLU A 3 3.308 13.153 -10.036 1.00 0.00 C ATOM 31 CD GLU A 3 1.834 13.226 -9.735 1.00 0.00 C ATOM 32 OE1 GLU A 3 1.007 12.933 -10.645 1.00 0.00 O ATOM 33 OE2 GLU A 3 1.468 13.551 -8.581 1.00 0.00 O ATOM 0 H GLU A 3 4.999 12.096 -12.108 1.00 0.00 H new ATOM 0 HA GLU A 3 5.832 12.135 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.280 11.153 -10.733 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.500 11.315 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.860 13.768 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.502 13.560 -11.028 1.00 0.00 H new ATOM 40 N PRO A 4 6.309 9.728 -8.871 1.00 0.00 N ATOM 41 CA PRO A 4 6.515 8.364 -8.465 1.00 0.00 C ATOM 42 C PRO A 4 5.422 7.973 -7.456 1.00 0.00 C ATOM 43 O PRO A 4 5.675 7.258 -6.492 1.00 0.00 O ATOM 44 CB PRO A 4 7.896 8.413 -7.797 1.00 0.00 C ATOM 45 CG PRO A 4 8.035 9.800 -7.254 1.00 0.00 C ATOM 46 CD PRO A 4 7.033 10.674 -7.990 1.00 0.00 C ATOM 0 HA PRO A 4 6.469 7.636 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.972 7.672 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.686 8.193 -8.515 1.00 0.00 H new ATOM 0 HG2 PRO A 4 7.843 9.814 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.049 10.171 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 4 6.355 11.173 -7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.531 11.454 -8.566 1.00 0.00 H new ATOM 54 N ALA A 5 4.198 8.464 -7.713 1.00 0.00 N ATOM 55 CA ALA A 5 3.030 8.208 -6.872 1.00 0.00 C ATOM 56 C ALA A 5 2.762 6.726 -6.812 1.00 0.00 C ATOM 57 O ALA A 5 2.424 6.181 -5.763 1.00 0.00 O ATOM 58 CB ALA A 5 1.817 8.954 -7.409 1.00 0.00 C ATOM 0 H ALA A 5 3.996 9.055 -8.520 1.00 0.00 H new ATOM 0 HA ALA A 5 3.230 8.569 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.955 8.753 -6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.022 10.025 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.604 8.619 -8.424 1.00 0.00 H new ATOM 64 N TYR A 6 2.934 6.093 -7.939 1.00 0.00 N ATOM 65 CA TYR A 6 2.863 4.689 -8.066 1.00 0.00 C ATOM 66 C TYR A 6 3.728 4.326 -9.245 1.00 0.00 C ATOM 67 O TYR A 6 3.937 5.160 -10.146 1.00 0.00 O ATOM 68 CB TYR A 6 1.405 4.183 -8.244 1.00 0.00 C ATOM 69 CG TYR A 6 0.700 4.634 -9.508 1.00 0.00 C ATOM 70 CD1 TYR A 6 0.076 5.874 -9.585 1.00 0.00 C ATOM 71 CD2 TYR A 6 0.652 3.808 -10.625 1.00 0.00 C ATOM 72 CE1 TYR A 6 -0.572 6.272 -10.733 1.00 0.00 C ATOM 73 CE2 TYR A 6 0.009 4.202 -11.774 1.00 0.00 C ATOM 74 CZ TYR A 6 -0.599 5.432 -11.826 1.00 0.00 C ATOM 75 OH TYR A 6 -1.248 5.825 -12.976 1.00 0.00 O ATOM 0 H TYR A 6 3.134 6.570 -8.818 1.00 0.00 H new ATOM 0 HA TYR A 6 3.217 4.206 -7.155 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.414 3.093 -8.224 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.819 4.513 -7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.100 6.535 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.128 2.839 -10.589 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.056 7.236 -10.777 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.018 3.547 -12.632 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.173 5.119 -13.652 1.00 0.00 H new ATOM 85 N LEU A 7 4.292 3.175 -9.219 1.00 0.00 N ATOM 86 CA LEU A 7 5.101 2.728 -10.317 1.00 0.00 C ATOM 87 C LEU A 7 4.282 1.796 -11.177 1.00 0.00 C ATOM 88 O LEU A 7 3.149 1.463 -10.832 1.00 0.00 O ATOM 89 CB LEU A 7 6.402 2.064 -9.837 1.00 0.00 C ATOM 90 CG LEU A 7 7.339 2.945 -8.989 1.00 0.00 C ATOM 91 CD1 LEU A 7 8.557 2.159 -8.548 1.00 0.00 C ATOM 92 CD2 LEU A 7 7.762 4.197 -9.755 1.00 0.00 C ATOM 0 H LEU A 7 4.214 2.512 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 7 5.405 3.590 -10.910 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.142 1.180 -9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.954 1.718 -10.711 1.00 0.00 H new ATOM 0 HG LEU A 7 6.789 3.261 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.206 2.799 -7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.241 1.303 -7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.101 1.808 -9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.423 4.799 -9.131 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.287 3.907 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.879 4.780 -10.016 1.00 0.00 H new ATOM 104 N THR A 8 4.833 1.374 -12.267 1.00 0.00 N ATOM 105 CA THR A 8 4.113 0.578 -13.198 1.00 0.00 C ATOM 106 C THR A 8 4.803 -0.761 -13.441 1.00 0.00 C ATOM 107 O THR A 8 5.997 -0.923 -13.134 1.00 0.00 O ATOM 108 CB THR A 8 3.911 1.372 -14.496 1.00 0.00 C ATOM 109 OG1 THR A 8 5.149 2.024 -14.850 1.00 0.00 O ATOM 110 CG2 THR A 8 2.831 2.423 -14.304 1.00 0.00 C ATOM 0 H THR A 8 5.797 1.573 -12.535 1.00 0.00 H new ATOM 0 HA THR A 8 3.133 0.341 -12.784 1.00 0.00 H new ATOM 0 HB THR A 8 3.607 0.689 -15.289 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.026 2.531 -15.679 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.696 2.980 -15.231 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.894 1.936 -14.034 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.127 3.108 -13.509 1.00 0.00 H new ATOM 118 N VAL A 9 4.057 -1.709 -13.965 1.00 0.00 N ATOM 119 CA VAL A 9 4.548 -3.062 -14.182 1.00 0.00 C ATOM 120 C VAL A 9 5.636 -3.100 -15.269 1.00 0.00 C ATOM 121 O VAL A 9 5.603 -2.322 -16.222 1.00 0.00 O ATOM 122 CB VAL A 9 3.373 -4.039 -14.530 1.00 0.00 C ATOM 123 CG1 VAL A 9 2.659 -3.637 -15.807 1.00 0.00 C ATOM 124 CG2 VAL A 9 3.844 -5.470 -14.621 1.00 0.00 C ATOM 0 H VAL A 9 3.089 -1.568 -14.255 1.00 0.00 H new ATOM 0 HA VAL A 9 5.002 -3.398 -13.250 1.00 0.00 H new ATOM 0 HB VAL A 9 2.659 -3.967 -13.709 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.852 -4.341 -16.010 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.246 -2.635 -15.693 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.365 -3.646 -16.637 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.000 -6.116 -14.864 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.602 -5.555 -15.400 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.270 -5.774 -13.665 1.00 0.00 H new ATOM 134 N GLY A 10 6.618 -3.965 -15.082 1.00 0.00 N ATOM 135 CA GLY A 10 7.669 -4.129 -16.054 1.00 0.00 C ATOM 136 C GLY A 10 8.928 -3.403 -15.673 1.00 0.00 C ATOM 137 O GLY A 10 10.030 -3.815 -16.066 1.00 0.00 O ATOM 0 H GLY A 10 6.704 -4.564 -14.261 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.888 -5.190 -16.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.323 -3.766 -17.022 1.00 0.00 H new ATOM 141 N THR A 11 8.772 -2.354 -14.885 1.00 0.00 N ATOM 142 CA THR A 11 9.846 -1.505 -14.494 1.00 0.00 C ATOM 143 C THR A 11 10.964 -2.263 -13.770 1.00 0.00 C ATOM 144 O THR A 11 10.727 -3.117 -12.894 1.00 0.00 O ATOM 145 CB THR A 11 9.319 -0.368 -13.614 1.00 0.00 C ATOM 146 OG1 THR A 11 8.147 0.191 -14.229 1.00 0.00 O ATOM 147 CG2 THR A 11 10.350 0.724 -13.491 1.00 0.00 C ATOM 0 H THR A 11 7.870 -2.076 -14.499 1.00 0.00 H new ATOM 0 HA THR A 11 10.281 -1.094 -15.405 1.00 0.00 H new ATOM 0 HB THR A 11 9.091 -0.766 -12.625 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.347 -0.236 -13.857 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.959 1.524 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.257 0.319 -13.041 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.581 1.120 -14.480 1.00 0.00 H new ATOM 155 N ASP A 12 12.146 -1.972 -14.201 1.00 0.00 N ATOM 156 CA ASP A 12 13.371 -2.497 -13.665 1.00 0.00 C ATOM 157 C ASP A 12 13.794 -1.654 -12.459 1.00 0.00 C ATOM 158 O ASP A 12 14.077 -0.448 -12.577 1.00 0.00 O ATOM 159 CB ASP A 12 14.410 -2.470 -14.779 1.00 0.00 C ATOM 160 CG ASP A 12 15.799 -2.788 -14.344 1.00 0.00 C ATOM 161 OD1 ASP A 12 16.061 -3.927 -13.976 1.00 0.00 O ATOM 162 OD2 ASP A 12 16.659 -1.893 -14.400 1.00 0.00 O ATOM 0 H ASP A 12 12.298 -1.328 -14.977 1.00 0.00 H new ATOM 0 HA ASP A 12 13.255 -3.523 -13.317 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.114 -3.181 -15.550 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.405 -1.481 -15.238 1.00 0.00 H new ATOM 167 N VAL A 13 13.772 -2.271 -11.303 1.00 0.00 N ATOM 168 CA VAL A 13 14.035 -1.610 -10.045 1.00 0.00 C ATOM 169 C VAL A 13 15.001 -2.431 -9.205 1.00 0.00 C ATOM 170 O VAL A 13 15.548 -3.420 -9.648 1.00 0.00 O ATOM 171 CB VAL A 13 12.725 -1.345 -9.209 1.00 0.00 C ATOM 172 CG1 VAL A 13 11.760 -0.450 -9.952 1.00 0.00 C ATOM 173 CG2 VAL A 13 12.029 -2.645 -8.810 1.00 0.00 C ATOM 0 H VAL A 13 13.567 -3.266 -11.207 1.00 0.00 H new ATOM 0 HA VAL A 13 14.475 -0.644 -10.292 1.00 0.00 H new ATOM 0 HB VAL A 13 13.040 -0.834 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.870 -0.291 -9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.237 0.509 -10.156 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.477 -0.922 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.131 -2.416 -8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.754 -3.201 -9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.704 -3.248 -8.203 1.00 0.00 H new ATOM 183 N SER A 14 15.273 -1.960 -8.045 1.00 0.00 N ATOM 184 CA SER A 14 16.044 -2.689 -7.092 1.00 0.00 C ATOM 185 C SER A 14 15.390 -2.443 -5.746 1.00 0.00 C ATOM 186 O SER A 14 14.797 -1.374 -5.549 1.00 0.00 O ATOM 187 CB SER A 14 17.504 -2.216 -7.102 1.00 0.00 C ATOM 188 OG SER A 14 18.026 -2.223 -8.422 1.00 0.00 O ATOM 0 H SER A 14 14.965 -1.044 -7.720 1.00 0.00 H new ATOM 0 HA SER A 14 16.066 -3.754 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 14 17.568 -1.211 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 14 18.106 -2.864 -6.465 1.00 0.00 H new ATOM 0 HG SER A 14 18.957 -1.917 -8.407 1.00 0.00 H new ATOM 194 N ALA A 15 15.429 -3.400 -4.872 1.00 0.00 N ATOM 195 CA ALA A 15 14.830 -3.263 -3.573 1.00 0.00 C ATOM 196 C ALA A 15 15.849 -3.575 -2.520 1.00 0.00 C ATOM 197 O ALA A 15 16.581 -4.562 -2.631 1.00 0.00 O ATOM 198 CB ALA A 15 13.619 -4.170 -3.432 1.00 0.00 C ATOM 0 H ALA A 15 15.877 -4.302 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 15 14.488 -2.236 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.185 -4.046 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.878 -3.908 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.924 -5.208 -3.568 1.00 0.00 H new ATOM 204 N LYS A 16 15.948 -2.723 -1.545 1.00 0.00 N ATOM 205 CA LYS A 16 16.896 -2.924 -0.476 1.00 0.00 C ATOM 206 C LYS A 16 16.396 -3.866 0.604 1.00 0.00 C ATOM 207 O LYS A 16 15.256 -3.786 1.060 1.00 0.00 O ATOM 208 CB LYS A 16 17.310 -1.597 0.136 1.00 0.00 C ATOM 209 CG LYS A 16 16.141 -0.788 0.608 1.00 0.00 C ATOM 210 CD LYS A 16 16.566 0.518 1.200 1.00 0.00 C ATOM 211 CE LYS A 16 15.372 1.312 1.675 1.00 0.00 C ATOM 212 NZ LYS A 16 14.645 0.632 2.758 1.00 0.00 N ATOM 0 H LYS A 16 15.384 -1.877 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 16 17.764 -3.401 -0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 16 17.981 -1.782 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 16 17.871 -1.022 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.466 -0.605 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.582 -1.358 1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.244 0.339 2.035 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.119 1.095 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.704 2.291 2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.696 1.483 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.480 1.300 3.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.732 0.286 2.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.208 -0.171 3.103 1.00 0.00 H new ATOM 226 N TYR A 17 17.252 -4.764 0.961 1.00 0.00 N ATOM 227 CA TYR A 17 17.081 -5.627 2.087 1.00 0.00 C ATOM 228 C TYR A 17 18.138 -5.218 3.061 1.00 0.00 C ATOM 229 O TYR A 17 19.324 -5.345 2.736 1.00 0.00 O ATOM 230 CB TYR A 17 17.357 -7.099 1.742 1.00 0.00 C ATOM 231 CG TYR A 17 16.409 -7.780 0.795 1.00 0.00 C ATOM 232 CD1 TYR A 17 16.641 -7.783 -0.570 1.00 0.00 C ATOM 233 CD2 TYR A 17 15.310 -8.472 1.278 1.00 0.00 C ATOM 234 CE1 TYR A 17 15.799 -8.446 -1.433 1.00 0.00 C ATOM 235 CE2 TYR A 17 14.463 -9.149 0.427 1.00 0.00 C ATOM 236 CZ TYR A 17 14.707 -9.136 -0.926 1.00 0.00 C ATOM 237 OH TYR A 17 13.867 -9.830 -1.775 1.00 0.00 O ATOM 0 H TYR A 17 18.125 -4.925 0.458 1.00 0.00 H new ATOM 0 HA TYR A 17 16.058 -5.546 2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.359 -7.163 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 17 17.368 -7.666 2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 17 17.497 -7.256 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.114 -8.481 2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 17 15.987 -8.430 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 17 13.613 -9.686 0.821 1.00 0.00 H new ATOM 0 HH TYR A 17 13.619 -9.257 -2.531 1.00 0.00 H new ATOM 247 N ARG A 18 17.748 -4.649 4.199 1.00 0.00 N ATOM 248 CA ARG A 18 18.707 -4.315 5.277 1.00 0.00 C ATOM 249 C ARG A 18 19.767 -3.298 4.779 1.00 0.00 C ATOM 250 O ARG A 18 20.910 -3.285 5.241 1.00 0.00 O ATOM 251 CB ARG A 18 19.384 -5.619 5.759 1.00 0.00 C ATOM 252 CG ARG A 18 18.399 -6.686 6.226 1.00 0.00 C ATOM 253 CD ARG A 18 19.074 -8.032 6.418 1.00 0.00 C ATOM 254 NE ARG A 18 18.115 -9.077 6.815 1.00 0.00 N ATOM 255 CZ ARG A 18 18.363 -10.399 6.829 1.00 0.00 C ATOM 256 NH1 ARG A 18 19.501 -10.880 6.337 1.00 0.00 N ATOM 257 NH2 ARG A 18 17.445 -11.240 7.280 1.00 0.00 N ATOM 0 H ARG A 18 16.780 -4.406 4.409 1.00 0.00 H new ATOM 0 HA ARG A 18 18.174 -3.850 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.988 -6.025 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.065 -5.383 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.941 -6.372 7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.596 -6.783 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.568 -8.326 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.850 -7.944 7.179 1.00 0.00 H new ATOM 0 HE ARG A 18 17.185 -8.773 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.196 -10.245 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 18 19.679 -11.884 6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 16.550 -10.885 7.617 1.00 0.00 H new ATOM 0 HH22 ARG A 18 17.633 -12.242 7.291 1.00 0.00 H new ATOM 271 N GLY A 19 19.358 -2.443 3.848 1.00 0.00 N ATOM 272 CA GLY A 19 20.248 -1.429 3.308 1.00 0.00 C ATOM 273 C GLY A 19 20.960 -1.842 2.023 1.00 0.00 C ATOM 274 O GLY A 19 21.606 -1.010 1.376 1.00 0.00 O ATOM 0 H GLY A 19 18.417 -2.434 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 19 19.674 -0.522 3.117 1.00 0.00 H new ATOM 0 HA3 GLY A 19 20.996 -1.180 4.061 1.00 0.00 H new ATOM 278 N ALA A 20 20.840 -3.096 1.636 1.00 0.00 N ATOM 279 CA ALA A 20 21.504 -3.581 0.429 1.00 0.00 C ATOM 280 C ALA A 20 20.484 -3.842 -0.657 1.00 0.00 C ATOM 281 O ALA A 20 19.544 -4.607 -0.460 1.00 0.00 O ATOM 282 CB ALA A 20 22.308 -4.832 0.715 1.00 0.00 C ATOM 0 H ALA A 20 20.293 -3.799 2.133 1.00 0.00 H new ATOM 0 HA ALA A 20 22.195 -2.811 0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 20 22.792 -5.171 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 20 23.067 -4.613 1.466 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.645 -5.614 1.086 1.00 0.00 H new ATOM 288 N PHE A 21 20.673 -3.228 -1.792 1.00 0.00 N ATOM 289 CA PHE A 21 19.703 -3.307 -2.872 1.00 0.00 C ATOM 290 C PHE A 21 19.943 -4.498 -3.775 1.00 0.00 C ATOM 291 O PHE A 21 21.013 -4.634 -4.362 1.00 0.00 O ATOM 292 CB PHE A 21 19.698 -2.025 -3.713 1.00 0.00 C ATOM 293 CG PHE A 21 19.309 -0.768 -2.985 1.00 0.00 C ATOM 294 CD1 PHE A 21 20.221 -0.091 -2.191 1.00 0.00 C ATOM 295 CD2 PHE A 21 18.035 -0.253 -3.118 1.00 0.00 C ATOM 296 CE1 PHE A 21 19.865 1.071 -1.544 1.00 0.00 C ATOM 297 CE2 PHE A 21 17.674 0.912 -2.479 1.00 0.00 C ATOM 298 CZ PHE A 21 18.589 1.575 -1.690 1.00 0.00 C ATOM 0 H PHE A 21 21.494 -2.661 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 21 18.730 -3.430 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.693 -1.885 -4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 21 19.014 -2.164 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 21 21.222 -0.479 -2.078 1.00 0.00 H new ATOM 0 HD2 PHE A 21 17.312 -0.771 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.583 1.587 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.675 1.306 -2.596 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.308 2.488 -1.187 1.00 0.00 H new ATOM 308 N CYS A 22 18.965 -5.354 -3.866 1.00 0.00 N ATOM 309 CA CYS A 22 18.977 -6.454 -4.804 1.00 0.00 C ATOM 310 C CYS A 22 18.127 -6.037 -5.986 1.00 0.00 C ATOM 311 O CYS A 22 17.138 -5.323 -5.791 1.00 0.00 O ATOM 312 CB CYS A 22 18.407 -7.715 -4.167 1.00 0.00 C ATOM 313 SG CYS A 22 19.357 -8.333 -2.762 1.00 0.00 S ATOM 0 H CYS A 22 18.126 -5.312 -3.288 1.00 0.00 H new ATOM 0 HA CYS A 22 19.997 -6.679 -5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.387 -7.513 -3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.351 -8.497 -4.924 1.00 0.00 H new ATOM 0 HG CYS A 22 18.562 -8.527 -1.752 1.00 0.00 H new ATOM 319 N GLU A 23 18.497 -6.421 -7.193 1.00 0.00 N ATOM 320 CA GLU A 23 17.746 -5.983 -8.350 1.00 0.00 C ATOM 321 C GLU A 23 16.448 -6.753 -8.437 1.00 0.00 C ATOM 322 O GLU A 23 16.383 -7.925 -8.030 1.00 0.00 O ATOM 323 CB GLU A 23 18.541 -6.100 -9.652 1.00 0.00 C ATOM 324 CG GLU A 23 18.715 -7.507 -10.196 1.00 0.00 C ATOM 325 CD GLU A 23 19.326 -7.507 -11.573 1.00 0.00 C ATOM 326 OE1 GLU A 23 20.519 -7.135 -11.724 1.00 0.00 O ATOM 327 OE2 GLU A 23 18.627 -7.852 -12.545 1.00 0.00 O ATOM 0 H GLU A 23 19.296 -7.022 -7.394 1.00 0.00 H new ATOM 0 HA GLU A 23 17.531 -4.922 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 23 18.047 -5.495 -10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 19.529 -5.668 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 23 19.347 -8.082 -9.519 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.746 -8.006 -10.229 1.00 0.00 H new ATOM 334 N ALA A 24 15.435 -6.122 -8.955 1.00 0.00 N ATOM 335 CA ALA A 24 14.146 -6.713 -9.002 1.00 0.00 C ATOM 336 C ALA A 24 13.324 -6.141 -10.129 1.00 0.00 C ATOM 337 O ALA A 24 13.398 -4.960 -10.437 1.00 0.00 O ATOM 338 CB ALA A 24 13.443 -6.529 -7.680 1.00 0.00 C ATOM 0 H ALA A 24 15.487 -5.185 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 24 14.265 -7.780 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.455 -6.986 -7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.025 -7.003 -6.889 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.341 -5.465 -7.467 1.00 0.00 H new ATOM 344 N LYS A 25 12.547 -6.955 -10.734 1.00 0.00 N ATOM 345 CA LYS A 25 11.741 -6.503 -11.837 1.00 0.00 C ATOM 346 C LYS A 25 10.271 -6.617 -11.468 1.00 0.00 C ATOM 347 O LYS A 25 9.832 -7.659 -11.001 1.00 0.00 O ATOM 348 CB LYS A 25 12.078 -7.305 -13.086 1.00 0.00 C ATOM 349 CG LYS A 25 11.460 -6.763 -14.360 1.00 0.00 C ATOM 350 CD LYS A 25 11.870 -7.597 -15.553 1.00 0.00 C ATOM 351 CE LYS A 25 11.400 -6.983 -16.862 1.00 0.00 C ATOM 352 NZ LYS A 25 11.957 -5.621 -17.073 1.00 0.00 N ATOM 0 H LYS A 25 12.441 -7.941 -10.496 1.00 0.00 H new ATOM 0 HA LYS A 25 11.953 -5.456 -12.053 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.161 -7.333 -13.205 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.746 -8.334 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.374 -6.759 -14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.771 -5.729 -14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.955 -7.699 -15.569 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.457 -8.601 -15.454 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.695 -7.627 -17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.311 -6.934 -16.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.125 -5.468 -18.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.282 -4.912 -16.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.855 -5.529 -16.556 1.00 0.00 H new ATOM 366 N ILE A 26 9.528 -5.545 -11.638 1.00 0.00 N ATOM 367 CA ILE A 26 8.120 -5.525 -11.240 1.00 0.00 C ATOM 368 C ILE A 26 7.266 -6.438 -12.137 1.00 0.00 C ATOM 369 O ILE A 26 7.098 -6.170 -13.338 1.00 0.00 O ATOM 370 CB ILE A 26 7.518 -4.096 -11.261 1.00 0.00 C ATOM 371 CG1 ILE A 26 8.454 -3.083 -10.572 1.00 0.00 C ATOM 372 CG2 ILE A 26 6.181 -4.117 -10.545 1.00 0.00 C ATOM 373 CD1 ILE A 26 7.932 -1.663 -10.556 1.00 0.00 C ATOM 0 H ILE A 26 9.866 -4.674 -12.047 1.00 0.00 H new ATOM 0 HA ILE A 26 8.098 -5.896 -10.215 1.00 0.00 H new ATOM 0 HB ILE A 26 7.391 -3.786 -12.298 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.627 -3.406 -9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.420 -3.097 -11.077 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.748 -3.117 -10.553 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.508 -4.808 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.325 -4.441 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.651 -1.017 -10.053 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.787 -1.317 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.981 -1.631 -10.024 1.00 0.00 H new ATOM 385 N LYS A 27 6.729 -7.499 -11.549 1.00 0.00 N ATOM 386 CA LYS A 27 5.883 -8.448 -12.268 1.00 0.00 C ATOM 387 C LYS A 27 4.469 -7.979 -12.211 1.00 0.00 C ATOM 388 O LYS A 27 3.703 -8.142 -13.155 1.00 0.00 O ATOM 389 CB LYS A 27 5.877 -9.820 -11.603 1.00 0.00 C ATOM 390 CG LYS A 27 7.218 -10.396 -11.270 1.00 0.00 C ATOM 391 CD LYS A 27 7.081 -11.804 -10.673 1.00 0.00 C ATOM 392 CE LYS A 27 6.390 -12.770 -11.632 1.00 0.00 C ATOM 393 NZ LYS A 27 6.349 -14.143 -11.107 1.00 0.00 N ATOM 0 H LYS A 27 6.866 -7.727 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 27 6.275 -8.516 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.294 -9.753 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.357 -10.518 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.833 -10.437 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.731 -9.745 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.070 -12.188 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.514 -11.750 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.373 -12.425 -11.822 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.912 -12.765 -12.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.856 -14.759 -11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.319 -14.490 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.843 -14.152 -10.199 1.00 0.00 H new ATOM 407 N THR A 28 4.116 -7.446 -11.083 1.00 0.00 N ATOM 408 CA THR A 28 2.771 -7.029 -10.834 1.00 0.00 C ATOM 409 C THR A 28 2.763 -5.802 -9.937 1.00 0.00 C ATOM 410 O THR A 28 3.583 -5.678 -9.017 1.00 0.00 O ATOM 411 CB THR A 28 2.016 -8.168 -10.125 1.00 0.00 C ATOM 412 OG1 THR A 28 2.105 -9.380 -10.899 1.00 0.00 O ATOM 413 CG2 THR A 28 0.549 -7.835 -9.869 1.00 0.00 C ATOM 0 H THR A 28 4.756 -7.287 -10.305 1.00 0.00 H new ATOM 0 HA THR A 28 2.290 -6.787 -11.782 1.00 0.00 H new ATOM 0 HB THR A 28 2.494 -8.305 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.623 -10.098 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.068 -8.674 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.482 -6.948 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.048 -7.644 -10.818 1.00 0.00 H new ATOM 421 N VAL A 29 1.862 -4.923 -10.227 1.00 0.00 N ATOM 422 CA VAL A 29 1.626 -3.730 -9.462 1.00 0.00 C ATOM 423 C VAL A 29 0.196 -3.747 -9.022 1.00 0.00 C ATOM 424 O VAL A 29 -0.707 -4.013 -9.828 1.00 0.00 O ATOM 425 CB VAL A 29 1.869 -2.428 -10.290 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.507 -1.184 -9.488 1.00 0.00 C ATOM 427 CG2 VAL A 29 3.298 -2.339 -10.703 1.00 0.00 C ATOM 0 H VAL A 29 1.243 -5.014 -11.033 1.00 0.00 H new ATOM 0 HA VAL A 29 2.321 -3.721 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 29 1.229 -2.476 -11.171 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.688 -0.296 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.454 -1.225 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.120 -1.141 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.454 -1.427 -11.279 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.932 -2.321 -9.817 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.554 -3.204 -11.315 1.00 0.00 H new ATOM 437 N LYS A 30 -0.022 -3.513 -7.786 1.00 0.00 N ATOM 438 CA LYS A 30 -1.346 -3.397 -7.292 1.00 0.00 C ATOM 439 C LYS A 30 -1.454 -2.068 -6.627 1.00 0.00 C ATOM 440 O LYS A 30 -0.985 -1.882 -5.496 1.00 0.00 O ATOM 441 CB LYS A 30 -1.745 -4.542 -6.341 1.00 0.00 C ATOM 442 CG LYS A 30 -3.210 -4.469 -5.917 1.00 0.00 C ATOM 443 CD LYS A 30 -3.646 -5.663 -5.088 1.00 0.00 C ATOM 444 CE LYS A 30 -5.125 -5.559 -4.712 1.00 0.00 C ATOM 445 NZ LYS A 30 -6.004 -5.440 -5.906 1.00 0.00 N ATOM 0 H LYS A 30 0.709 -3.396 -7.084 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.046 -3.475 -8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.560 -5.498 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.112 -4.510 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.372 -3.556 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.837 -4.402 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.473 -6.582 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.041 -5.723 -4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.414 -6.439 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.274 -4.693 -4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.885 -5.968 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.227 -4.438 -6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.516 -5.830 -6.737 1.00 0.00 H new ATOM 459 N ARG A 31 -1.981 -1.123 -7.348 1.00 0.00 N ATOM 460 CA ARG A 31 -2.118 0.207 -6.846 1.00 0.00 C ATOM 461 C ARG A 31 -3.335 0.255 -5.912 1.00 0.00 C ATOM 462 O ARG A 31 -4.472 0.520 -6.312 1.00 0.00 O ATOM 463 CB ARG A 31 -2.204 1.219 -8.030 1.00 0.00 C ATOM 464 CG ARG A 31 -3.431 1.067 -8.926 1.00 0.00 C ATOM 465 CD ARG A 31 -3.326 1.874 -10.202 1.00 0.00 C ATOM 466 NE ARG A 31 -2.446 1.216 -11.175 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.293 1.578 -12.452 1.00 0.00 C ATOM 468 NH1 ARG A 31 -2.803 2.725 -12.891 1.00 0.00 N ATOM 469 NH2 ARG A 31 -1.618 0.793 -13.285 1.00 0.00 N ATOM 0 H ARG A 31 -2.327 -1.255 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.244 0.499 -6.263 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.193 2.231 -7.624 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.310 1.112 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.565 0.015 -9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.319 1.379 -8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.318 2.005 -10.635 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.943 2.869 -9.976 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.906 0.415 -10.849 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.314 3.334 -12.252 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.683 2.996 -13.867 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.218 -0.083 -12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.500 1.067 -14.260 1.00 0.00 H new ATOM 483 N LEU A 32 -3.105 -0.067 -4.682 1.00 0.00 N ATOM 484 CA LEU A 32 -4.173 -0.102 -3.744 1.00 0.00 C ATOM 485 C LEU A 32 -4.072 1.048 -2.821 1.00 0.00 C ATOM 486 O LEU A 32 -2.978 1.399 -2.336 1.00 0.00 O ATOM 487 CB LEU A 32 -4.298 -1.448 -2.963 1.00 0.00 C ATOM 488 CG LEU A 32 -3.277 -1.771 -1.853 1.00 0.00 C ATOM 489 CD1 LEU A 32 -3.646 -3.073 -1.165 1.00 0.00 C ATOM 490 CD2 LEU A 32 -1.874 -1.867 -2.395 1.00 0.00 C ATOM 0 H LEU A 32 -2.188 -0.309 -4.305 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.094 -0.028 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.291 -1.476 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.256 -2.256 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.307 -0.953 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.918 -3.291 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.638 -2.982 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.647 -3.883 -1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.185 -2.096 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.827 -2.657 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.594 -0.917 -2.851 1.00 0.00 H new ATOM 502 N VAL A 33 -5.164 1.659 -2.618 1.00 0.00 N ATOM 503 CA VAL A 33 -5.253 2.758 -1.739 1.00 0.00 C ATOM 504 C VAL A 33 -6.000 2.291 -0.517 1.00 0.00 C ATOM 505 O VAL A 33 -7.013 1.603 -0.643 1.00 0.00 O ATOM 506 CB VAL A 33 -6.003 3.947 -2.406 1.00 0.00 C ATOM 507 CG1 VAL A 33 -6.053 5.151 -1.489 1.00 0.00 C ATOM 508 CG2 VAL A 33 -5.358 4.324 -3.737 1.00 0.00 C ATOM 0 H VAL A 33 -6.046 1.408 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.256 3.112 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.026 3.621 -2.596 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.583 5.964 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.573 4.886 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.038 5.471 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.902 5.157 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.321 4.615 -3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.390 3.469 -4.412 1.00 0.00 H new ATOM 518 N LYS A 34 -5.479 2.590 0.641 1.00 0.00 N ATOM 519 CA LYS A 34 -6.147 2.260 1.859 1.00 0.00 C ATOM 520 C LYS A 34 -7.098 3.383 2.158 1.00 0.00 C ATOM 521 O LYS A 34 -6.700 4.467 2.587 1.00 0.00 O ATOM 522 CB LYS A 34 -5.161 2.044 3.014 1.00 0.00 C ATOM 523 CG LYS A 34 -4.116 0.968 2.738 1.00 0.00 C ATOM 524 CD LYS A 34 -3.210 0.697 3.944 1.00 0.00 C ATOM 525 CE LYS A 34 -2.400 1.922 4.367 1.00 0.00 C ATOM 526 NZ LYS A 34 -1.474 1.609 5.486 1.00 0.00 N ATOM 0 H LYS A 34 -4.585 3.066 0.762 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.684 1.318 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.653 2.985 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.719 1.774 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.619 0.044 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.503 1.272 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.821 0.364 4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.528 -0.118 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.829 2.293 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.078 2.720 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.942 2.464 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.021 1.279 6.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.811 0.865 5.190 1.00 0.00 H new ATOM 540 N VAL A 35 -8.315 3.143 1.868 1.00 0.00 N ATOM 541 CA VAL A 35 -9.340 4.105 1.974 1.00 0.00 C ATOM 542 C VAL A 35 -9.966 4.002 3.346 1.00 0.00 C ATOM 543 O VAL A 35 -10.355 2.915 3.788 1.00 0.00 O ATOM 544 CB VAL A 35 -10.425 3.854 0.901 1.00 0.00 C ATOM 545 CG1 VAL A 35 -11.368 5.025 0.809 1.00 0.00 C ATOM 546 CG2 VAL A 35 -9.799 3.560 -0.455 1.00 0.00 C ATOM 0 H VAL A 35 -8.640 2.235 1.537 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.917 5.098 1.823 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.997 2.977 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.122 4.826 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.855 5.176 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.810 5.922 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.586 3.388 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.191 4.409 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.171 2.672 -0.381 1.00 0.00 H new ATOM 556 N LYS A 36 -10.026 5.108 4.023 1.00 0.00 N ATOM 557 CA LYS A 36 -10.638 5.176 5.306 1.00 0.00 C ATOM 558 C LYS A 36 -12.051 5.556 5.067 1.00 0.00 C ATOM 559 O LYS A 36 -12.340 6.689 4.672 1.00 0.00 O ATOM 560 CB LYS A 36 -9.969 6.226 6.184 1.00 0.00 C ATOM 561 CG LYS A 36 -10.413 6.193 7.633 1.00 0.00 C ATOM 562 CD LYS A 36 -9.715 7.266 8.446 1.00 0.00 C ATOM 563 CE LYS A 36 -10.106 7.175 9.907 1.00 0.00 C ATOM 564 NZ LYS A 36 -9.497 8.252 10.718 1.00 0.00 N ATOM 0 H LYS A 36 -9.646 5.995 3.693 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.549 4.221 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.889 6.085 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.177 7.214 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.492 6.336 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.199 5.213 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.635 7.159 8.347 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.975 8.250 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.191 7.226 9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.800 6.207 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.793 8.149 11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.461 8.189 10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.809 9.176 10.358 1.00 0.00 H new ATOM 578 N VAL A 37 -12.909 4.637 5.231 1.00 0.00 N ATOM 579 CA VAL A 37 -14.280 4.874 4.973 1.00 0.00 C ATOM 580 C VAL A 37 -15.100 4.785 6.203 1.00 0.00 C ATOM 581 O VAL A 37 -14.852 3.960 7.091 1.00 0.00 O ATOM 582 CB VAL A 37 -14.864 3.943 3.886 1.00 0.00 C ATOM 583 CG1 VAL A 37 -14.508 4.443 2.511 1.00 0.00 C ATOM 584 CG2 VAL A 37 -14.357 2.526 4.067 1.00 0.00 C ATOM 0 H VAL A 37 -12.689 3.693 5.549 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.326 5.894 4.592 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.949 3.944 3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.928 3.774 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.914 5.445 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.424 4.473 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.780 1.887 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -13.270 2.516 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.657 2.155 5.047 1.00 0.00 H new ATOM 594 N LEU A 38 -16.062 5.623 6.240 1.00 0.00 N ATOM 595 CA LEU A 38 -17.018 5.667 7.285 1.00 0.00 C ATOM 596 C LEU A 38 -18.320 5.224 6.723 1.00 0.00 C ATOM 597 O LEU A 38 -18.830 5.829 5.772 1.00 0.00 O ATOM 598 CB LEU A 38 -17.140 7.080 7.866 1.00 0.00 C ATOM 599 CG LEU A 38 -18.332 7.327 8.829 1.00 0.00 C ATOM 600 CD1 LEU A 38 -18.301 6.386 10.034 1.00 0.00 C ATOM 601 CD2 LEU A 38 -18.364 8.779 9.287 1.00 0.00 C ATOM 0 H LEU A 38 -16.215 6.326 5.517 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.707 5.012 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.217 7.312 8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.217 7.785 7.038 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.244 7.114 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.153 6.595 10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.351 5.353 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.377 6.539 10.591 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -19.207 8.929 9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.436 9.017 9.808 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -18.471 9.432 8.421 1.00 0.00 H new ATOM 613 N LEU A 39 -18.826 4.152 7.245 1.00 0.00 N ATOM 614 CA LEU A 39 -20.093 3.651 6.828 1.00 0.00 C ATOM 615 C LEU A 39 -21.162 4.622 7.249 1.00 0.00 C ATOM 616 O LEU A 39 -21.424 4.773 8.412 1.00 0.00 O ATOM 617 CB LEU A 39 -20.355 2.265 7.419 1.00 0.00 C ATOM 618 CG LEU A 39 -19.452 1.143 6.915 1.00 0.00 C ATOM 619 CD1 LEU A 39 -19.665 -0.101 7.728 1.00 0.00 C ATOM 620 CD2 LEU A 39 -19.767 0.843 5.478 1.00 0.00 C ATOM 0 H LEU A 39 -18.371 3.601 7.972 1.00 0.00 H new ATOM 0 HA LEU A 39 -20.101 3.548 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -20.253 2.328 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -21.390 1.993 7.212 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.415 1.465 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -19.015 -0.893 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.430 0.103 8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -20.705 -0.417 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -19.119 0.041 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -20.809 0.534 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -19.602 1.736 4.875 1.00 0.00 H new ATOM 632 N LYS A 40 -21.769 5.271 6.300 1.00 0.00 N ATOM 633 CA LYS A 40 -22.769 6.285 6.585 1.00 0.00 C ATOM 634 C LYS A 40 -24.075 5.683 7.066 1.00 0.00 C ATOM 635 O LYS A 40 -24.922 6.368 7.614 1.00 0.00 O ATOM 636 CB LYS A 40 -22.932 7.239 5.385 1.00 0.00 C ATOM 637 CG LYS A 40 -23.135 6.569 4.019 1.00 0.00 C ATOM 638 CD LYS A 40 -24.569 6.143 3.751 1.00 0.00 C ATOM 639 CE LYS A 40 -25.465 7.337 3.454 1.00 0.00 C ATOM 640 NZ LYS A 40 -26.794 6.907 2.971 1.00 0.00 N ATOM 0 H LYS A 40 -21.593 5.121 5.306 1.00 0.00 H new ATOM 0 HA LYS A 40 -22.415 6.890 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -23.783 7.892 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -22.049 7.875 5.328 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.818 7.258 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -22.488 5.694 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -24.592 5.452 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -24.956 5.604 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -25.581 7.940 4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.992 7.972 2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -27.293 7.720 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -26.678 6.167 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -27.348 6.531 3.767 1.00 0.00 H new ATOM 654 N GLN A 41 -24.220 4.402 6.862 1.00 0.00 N ATOM 655 CA GLN A 41 -25.388 3.691 7.328 1.00 0.00 C ATOM 656 C GLN A 41 -25.151 3.193 8.747 1.00 0.00 C ATOM 657 O GLN A 41 -25.926 3.453 9.656 1.00 0.00 O ATOM 658 CB GLN A 41 -25.651 2.476 6.445 1.00 0.00 C ATOM 659 CG GLN A 41 -25.666 2.769 4.969 1.00 0.00 C ATOM 660 CD GLN A 41 -26.060 1.566 4.153 1.00 0.00 C ATOM 661 OE1 GLN A 41 -25.218 0.765 3.741 1.00 0.00 O ATOM 662 NE2 GLN A 41 -27.326 1.419 3.924 1.00 0.00 N ATOM 0 H GLN A 41 -23.539 3.821 6.372 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.240 4.371 7.295 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -24.887 1.725 6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -26.609 2.039 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -26.361 3.584 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -24.678 3.109 4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -27.992 2.104 4.282 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -27.657 0.618 3.386 1.00 0.00 H new ATOM 671 N ASP A 42 -24.031 2.525 8.913 1.00 0.00 N ATOM 672 CA ASP A 42 -23.723 1.795 10.143 1.00 0.00 C ATOM 673 C ASP A 42 -22.993 2.657 11.163 1.00 0.00 C ATOM 674 O ASP A 42 -23.198 2.506 12.373 1.00 0.00 O ATOM 675 CB ASP A 42 -22.885 0.573 9.799 1.00 0.00 C ATOM 676 CG ASP A 42 -22.651 -0.347 10.968 1.00 0.00 C ATOM 677 OD1 ASP A 42 -21.741 -0.102 11.762 1.00 0.00 O ATOM 678 OD2 ASP A 42 -23.335 -1.374 11.059 1.00 0.00 O ATOM 0 H ASP A 42 -23.301 2.467 8.203 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.666 1.494 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.379 0.016 9.003 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -21.922 0.902 9.408 1.00 0.00 H new ATOM 683 N ASN A 43 -22.168 3.579 10.663 1.00 0.00 N ATOM 684 CA ASN A 43 -21.350 4.509 11.464 1.00 0.00 C ATOM 685 C ASN A 43 -20.041 3.909 11.931 1.00 0.00 C ATOM 686 O ASN A 43 -19.371 4.460 12.792 1.00 0.00 O ATOM 687 CB ASN A 43 -22.124 5.181 12.605 1.00 0.00 C ATOM 688 CG ASN A 43 -23.103 6.225 12.123 1.00 0.00 C ATOM 689 OD1 ASN A 43 -22.773 7.407 12.030 1.00 0.00 O ATOM 690 ND2 ASN A 43 -24.309 5.816 11.820 1.00 0.00 N ATOM 0 H ASN A 43 -22.043 3.708 9.659 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.086 5.309 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -22.663 4.419 13.169 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.416 5.645 13.292 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -25.008 6.484 11.496 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -24.550 4.829 11.908 1.00 0.00 H new ATOM 697 N THR A 44 -19.646 2.817 11.334 1.00 0.00 N ATOM 698 CA THR A 44 -18.364 2.243 11.627 1.00 0.00 C ATOM 699 C THR A 44 -17.337 2.699 10.610 1.00 0.00 C ATOM 700 O THR A 44 -17.677 3.026 9.466 1.00 0.00 O ATOM 701 CB THR A 44 -18.430 0.721 11.694 1.00 0.00 C ATOM 702 OG1 THR A 44 -19.397 0.247 10.761 1.00 0.00 O ATOM 703 CG2 THR A 44 -18.775 0.261 13.089 1.00 0.00 C ATOM 0 H THR A 44 -20.195 2.308 10.641 1.00 0.00 H new ATOM 0 HA THR A 44 -18.057 2.595 12.612 1.00 0.00 H new ATOM 0 HB THR A 44 -17.452 0.313 11.438 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.294 0.333 11.147 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.817 -0.828 13.113 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.014 0.611 13.786 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.744 0.668 13.377 1.00 0.00 H new ATOM 711 N THR A 45 -16.114 2.777 11.026 1.00 0.00 N ATOM 712 CA THR A 45 -15.059 3.230 10.183 1.00 0.00 C ATOM 713 C THR A 45 -14.046 2.111 10.012 1.00 0.00 C ATOM 714 O THR A 45 -13.810 1.322 10.941 1.00 0.00 O ATOM 715 CB THR A 45 -14.352 4.416 10.836 1.00 0.00 C ATOM 716 OG1 THR A 45 -15.333 5.233 11.513 1.00 0.00 O ATOM 717 CG2 THR A 45 -13.648 5.268 9.787 1.00 0.00 C ATOM 0 H THR A 45 -15.818 2.525 11.969 1.00 0.00 H new ATOM 0 HA THR A 45 -15.473 3.526 9.219 1.00 0.00 H new ATOM 0 HB THR A 45 -13.612 4.037 11.541 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.887 5.996 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.151 6.107 10.274 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.908 4.663 9.263 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.380 5.645 9.073 1.00 0.00 H new ATOM 725 N GLN A 46 -13.476 2.032 8.857 1.00 0.00 N ATOM 726 CA GLN A 46 -12.446 1.065 8.564 1.00 0.00 C ATOM 727 C GLN A 46 -11.517 1.607 7.498 1.00 0.00 C ATOM 728 O GLN A 46 -11.890 2.509 6.742 1.00 0.00 O ATOM 729 CB GLN A 46 -12.993 -0.351 8.190 1.00 0.00 C ATOM 730 CG GLN A 46 -13.912 -0.450 6.968 1.00 0.00 C ATOM 731 CD GLN A 46 -15.314 0.105 7.196 1.00 0.00 C ATOM 732 OE1 GLN A 46 -15.945 0.533 6.153 1.00 0.00 O flip ATOM 733 NE2 GLN A 46 -15.837 0.094 8.303 1.00 0.00 N flip ATOM 0 H GLN A 46 -13.708 2.641 8.072 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.885 0.913 9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.140 -1.009 8.024 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.534 -0.742 9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -13.452 0.085 6.137 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.991 -1.495 6.670 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -15.316 -0.249 9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -16.794 0.428 8.418 1.00 0.00 H new ATOM 742 N LEU A 47 -10.329 1.078 7.449 1.00 0.00 N ATOM 743 CA LEU A 47 -9.321 1.505 6.497 1.00 0.00 C ATOM 744 C LEU A 47 -9.001 0.285 5.669 1.00 0.00 C ATOM 745 O LEU A 47 -8.279 -0.611 6.108 1.00 0.00 O ATOM 746 CB LEU A 47 -8.058 2.012 7.243 1.00 0.00 C ATOM 747 CG LEU A 47 -6.928 2.657 6.402 1.00 0.00 C ATOM 748 CD1 LEU A 47 -7.325 4.028 5.861 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.645 2.767 7.207 1.00 0.00 C ATOM 0 H LEU A 47 -10.021 0.330 8.071 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.672 2.328 5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.379 2.742 7.986 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.631 1.170 7.787 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.756 2.000 5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.502 4.441 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.205 3.928 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.552 4.695 6.692 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.868 3.223 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.820 3.384 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.324 1.773 7.518 1.00 0.00 H new ATOM 761 N VAL A 48 -9.546 0.241 4.504 1.00 0.00 N ATOM 762 CA VAL A 48 -9.494 -0.950 3.666 1.00 0.00 C ATOM 763 C VAL A 48 -8.952 -0.612 2.304 1.00 0.00 C ATOM 764 O VAL A 48 -8.721 0.532 2.014 1.00 0.00 O ATOM 765 CB VAL A 48 -10.900 -1.609 3.531 1.00 0.00 C ATOM 766 CG1 VAL A 48 -11.372 -2.150 4.877 1.00 0.00 C ATOM 767 CG2 VAL A 48 -11.914 -0.609 2.988 1.00 0.00 C ATOM 0 H VAL A 48 -10.048 1.024 4.085 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.827 -1.665 4.148 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.817 -2.439 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.355 -2.606 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.665 -2.898 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.433 -1.333 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.889 -1.090 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.987 0.240 3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.592 -0.262 2.006 1.00 0.00 H new ATOM 777 N GLN A 49 -8.761 -1.591 1.467 1.00 0.00 N ATOM 778 CA GLN A 49 -8.201 -1.331 0.164 1.00 0.00 C ATOM 779 C GLN A 49 -9.306 -1.007 -0.835 1.00 0.00 C ATOM 780 O GLN A 49 -10.443 -1.483 -0.700 1.00 0.00 O ATOM 781 CB GLN A 49 -7.352 -2.507 -0.318 1.00 0.00 C ATOM 782 CG GLN A 49 -8.137 -3.765 -0.593 1.00 0.00 C ATOM 783 CD GLN A 49 -7.255 -4.928 -0.967 1.00 0.00 C ATOM 784 OE1 GLN A 49 -6.947 -5.139 -2.125 1.00 0.00 O ATOM 785 NE2 GLN A 49 -6.854 -5.691 0.009 1.00 0.00 N ATOM 0 H GLN A 49 -8.981 -2.569 1.657 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.545 -0.464 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.828 -2.213 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.592 -2.723 0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.720 -4.025 0.290 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.846 -3.577 -1.399 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.133 -5.482 0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.261 -6.498 -0.185 1.00 0.00 H new ATOM 794 N ASP A 50 -8.947 -0.262 -1.864 1.00 0.00 N ATOM 795 CA ASP A 50 -9.883 0.229 -2.897 1.00 0.00 C ATOM 796 C ASP A 50 -10.461 -0.913 -3.712 1.00 0.00 C ATOM 797 O ASP A 50 -11.439 -0.755 -4.411 1.00 0.00 O ATOM 798 CB ASP A 50 -9.181 1.199 -3.861 1.00 0.00 C ATOM 799 CG ASP A 50 -8.207 0.506 -4.797 1.00 0.00 C ATOM 800 OD1 ASP A 50 -7.177 0.003 -4.323 1.00 0.00 O ATOM 801 OD2 ASP A 50 -8.448 0.487 -6.044 1.00 0.00 O ATOM 0 H ASP A 50 -7.983 0.032 -2.022 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.687 0.743 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.933 1.723 -4.451 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.647 1.953 -3.283 1.00 0.00 H new ATOM 806 N ASP A 51 -9.873 -2.065 -3.572 1.00 0.00 N ATOM 807 CA ASP A 51 -10.251 -3.248 -4.326 1.00 0.00 C ATOM 808 C ASP A 51 -11.583 -3.763 -3.831 1.00 0.00 C ATOM 809 O ASP A 51 -12.369 -4.328 -4.576 1.00 0.00 O ATOM 810 CB ASP A 51 -9.182 -4.311 -4.138 1.00 0.00 C ATOM 811 CG ASP A 51 -9.318 -5.478 -5.067 1.00 0.00 C ATOM 812 OD1 ASP A 51 -8.780 -5.399 -6.189 1.00 0.00 O ATOM 813 OD2 ASP A 51 -9.894 -6.507 -4.692 1.00 0.00 O ATOM 0 H ASP A 51 -9.103 -2.223 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.341 -3.001 -5.384 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.202 -3.856 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.218 -4.671 -3.110 1.00 0.00 H new ATOM 818 N GLN A 52 -11.848 -3.511 -2.564 1.00 0.00 N ATOM 819 CA GLN A 52 -13.072 -3.957 -1.934 1.00 0.00 C ATOM 820 C GLN A 52 -13.974 -2.763 -1.688 1.00 0.00 C ATOM 821 O GLN A 52 -15.007 -2.852 -1.024 1.00 0.00 O ATOM 822 CB GLN A 52 -12.745 -4.707 -0.650 1.00 0.00 C ATOM 823 CG GLN A 52 -11.799 -5.865 -0.908 1.00 0.00 C ATOM 824 CD GLN A 52 -11.462 -6.674 0.326 1.00 0.00 C ATOM 825 OE1 GLN A 52 -12.140 -7.641 0.654 1.00 0.00 O ATOM 826 NE2 GLN A 52 -10.421 -6.301 1.009 1.00 0.00 N ATOM 0 H GLN A 52 -11.223 -2.994 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.606 -4.648 -2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.295 -4.022 0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.665 -5.081 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.245 -6.525 -1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.876 -5.477 -1.338 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.878 -5.491 0.709 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.147 -6.818 1.845 1.00 0.00 H new ATOM 835 N VAL A 53 -13.560 -1.652 -2.245 1.00 0.00 N ATOM 836 CA VAL A 53 -14.312 -0.410 -2.206 1.00 0.00 C ATOM 837 C VAL A 53 -14.888 -0.113 -3.574 1.00 0.00 C ATOM 838 O VAL A 53 -14.170 0.160 -4.533 1.00 0.00 O ATOM 839 CB VAL A 53 -13.460 0.781 -1.713 1.00 0.00 C ATOM 840 CG1 VAL A 53 -14.231 2.087 -1.814 1.00 0.00 C ATOM 841 CG2 VAL A 53 -13.054 0.548 -0.290 1.00 0.00 C ATOM 0 H VAL A 53 -12.676 -1.578 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.121 -0.541 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.576 0.856 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.606 2.907 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.510 2.265 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.131 2.027 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.453 1.388 0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.944 0.456 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.469 -0.369 -0.224 1.00 0.00 H new ATOM 851 N LYS A 54 -16.166 -0.228 -3.662 1.00 0.00 N ATOM 852 CA LYS A 54 -16.888 -0.008 -4.885 1.00 0.00 C ATOM 853 C LYS A 54 -17.320 1.432 -4.977 1.00 0.00 C ATOM 854 O LYS A 54 -18.238 1.861 -4.274 1.00 0.00 O ATOM 855 CB LYS A 54 -18.117 -0.928 -4.959 1.00 0.00 C ATOM 856 CG LYS A 54 -17.884 -2.418 -5.306 1.00 0.00 C ATOM 857 CD LYS A 54 -16.844 -3.138 -4.446 1.00 0.00 C ATOM 858 CE LYS A 54 -15.438 -3.067 -5.048 1.00 0.00 C ATOM 859 NZ LYS A 54 -15.341 -3.777 -6.327 1.00 0.00 N ATOM 0 H LYS A 54 -16.761 -0.483 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.229 -0.239 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -18.626 -0.884 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -18.801 -0.514 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.833 -2.947 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.578 -2.487 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.832 -2.697 -3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.134 -4.182 -4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.160 -2.023 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.723 -3.492 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.353 -4.056 -6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.940 -4.626 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.660 -3.153 -7.095 1.00 0.00 H new ATOM 873 N GLY A 55 -16.628 2.172 -5.779 1.00 0.00 N ATOM 874 CA GLY A 55 -16.970 3.546 -6.008 1.00 0.00 C ATOM 875 C GLY A 55 -15.745 4.419 -6.214 1.00 0.00 C ATOM 876 O GLY A 55 -14.630 3.894 -6.336 1.00 0.00 O ATOM 0 H GLY A 55 -15.811 1.847 -6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.615 3.616 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.542 3.922 -5.160 1.00 0.00 H new ATOM 880 N PRO A 56 -15.916 5.752 -6.262 1.00 0.00 N ATOM 881 CA PRO A 56 -14.822 6.692 -6.509 1.00 0.00 C ATOM 882 C PRO A 56 -13.965 6.948 -5.282 1.00 0.00 C ATOM 883 O PRO A 56 -14.461 7.038 -4.162 1.00 0.00 O ATOM 884 CB PRO A 56 -15.531 7.998 -6.890 1.00 0.00 C ATOM 885 CG PRO A 56 -16.992 7.679 -6.935 1.00 0.00 C ATOM 886 CD PRO A 56 -17.183 6.459 -6.076 1.00 0.00 C ATOM 0 HA PRO A 56 -14.148 6.298 -7.270 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.325 8.781 -6.160 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -15.182 8.364 -7.856 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.584 8.514 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.318 7.490 -7.958 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.355 6.719 -5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -18.035 5.861 -6.400 1.00 0.00 H new ATOM 894 N LEU A 57 -12.697 7.119 -5.500 1.00 0.00 N ATOM 895 CA LEU A 57 -11.784 7.411 -4.434 1.00 0.00 C ATOM 896 C LEU A 57 -11.638 8.901 -4.321 1.00 0.00 C ATOM 897 O LEU A 57 -10.742 9.504 -4.913 1.00 0.00 O ATOM 898 CB LEU A 57 -10.402 6.736 -4.641 1.00 0.00 C ATOM 899 CG LEU A 57 -10.366 5.193 -4.728 1.00 0.00 C ATOM 900 CD1 LEU A 57 -11.159 4.558 -3.602 1.00 0.00 C ATOM 901 CD2 LEU A 57 -10.827 4.685 -6.086 1.00 0.00 C ATOM 0 H LEU A 57 -12.264 7.060 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 57 -12.189 7.002 -3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.967 7.135 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.752 7.042 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.325 4.892 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.114 3.473 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.737 4.861 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.198 4.884 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.785 3.596 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.851 5.011 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.176 5.084 -6.864 1.00 0.00 H new ATOM 913 N ARG A 58 -12.578 9.491 -3.643 1.00 0.00 N ATOM 914 CA ARG A 58 -12.594 10.907 -3.365 1.00 0.00 C ATOM 915 C ARG A 58 -13.055 11.115 -1.966 1.00 0.00 C ATOM 916 O ARG A 58 -14.043 10.521 -1.558 1.00 0.00 O ATOM 917 CB ARG A 58 -13.497 11.692 -4.329 1.00 0.00 C ATOM 918 CG ARG A 58 -12.976 11.838 -5.749 1.00 0.00 C ATOM 919 CD ARG A 58 -13.899 12.730 -6.575 1.00 0.00 C ATOM 920 NE ARG A 58 -15.234 12.127 -6.800 1.00 0.00 N ATOM 921 CZ ARG A 58 -16.416 12.711 -6.531 1.00 0.00 C ATOM 922 NH1 ARG A 58 -16.465 13.837 -5.836 1.00 0.00 N ATOM 923 NH2 ARG A 58 -17.552 12.147 -6.945 1.00 0.00 N ATOM 0 H ARG A 58 -13.379 8.992 -3.255 1.00 0.00 H new ATOM 0 HA ARG A 58 -11.581 11.285 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.470 11.201 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.658 12.688 -3.917 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.972 12.263 -5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.898 10.856 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.019 13.688 -6.069 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.432 12.935 -7.538 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.259 11.186 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.603 14.267 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.365 14.274 -5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.526 11.271 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.447 12.592 -6.740 1.00 0.00 H new ATOM 937 N VAL A 59 -12.346 11.923 -1.218 1.00 0.00 N ATOM 938 CA VAL A 59 -12.739 12.207 0.144 1.00 0.00 C ATOM 939 C VAL A 59 -14.056 12.957 0.117 1.00 0.00 C ATOM 940 O VAL A 59 -14.152 14.047 -0.460 1.00 0.00 O ATOM 941 CB VAL A 59 -11.665 13.019 0.914 1.00 0.00 C ATOM 942 CG1 VAL A 59 -12.081 13.226 2.367 1.00 0.00 C ATOM 943 CG2 VAL A 59 -10.326 12.311 0.852 1.00 0.00 C ATOM 0 H VAL A 59 -11.496 12.396 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.849 11.262 0.677 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.571 13.996 0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.313 13.798 2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.024 13.771 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -12.203 12.258 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.582 12.892 1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.416 11.323 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.016 12.208 -0.188 1.00 0.00 H new ATOM 953 N GLY A 60 -15.055 12.360 0.695 1.00 0.00 N ATOM 954 CA GLY A 60 -16.380 12.920 0.667 1.00 0.00 C ATOM 955 C GLY A 60 -17.247 12.298 -0.419 1.00 0.00 C ATOM 956 O GLY A 60 -18.320 12.825 -0.742 1.00 0.00 O ATOM 0 H GLY A 60 -14.979 11.476 1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.855 12.773 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.314 13.996 0.505 1.00 0.00 H new ATOM 960 N ALA A 61 -16.778 11.212 -1.027 1.00 0.00 N ATOM 961 CA ALA A 61 -17.575 10.528 -2.041 1.00 0.00 C ATOM 962 C ALA A 61 -18.294 9.345 -1.426 1.00 0.00 C ATOM 963 O ALA A 61 -17.916 8.883 -0.345 1.00 0.00 O ATOM 964 CB ALA A 61 -16.735 10.109 -3.241 1.00 0.00 C ATOM 0 H ALA A 61 -15.867 10.793 -0.840 1.00 0.00 H new ATOM 0 HA ALA A 61 -18.320 11.231 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -17.369 9.604 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.288 10.992 -3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.946 9.431 -2.914 1.00 0.00 H new ATOM 970 N ILE A 62 -19.301 8.861 -2.107 1.00 0.00 N ATOM 971 CA ILE A 62 -20.111 7.765 -1.626 1.00 0.00 C ATOM 972 C ILE A 62 -19.718 6.471 -2.335 1.00 0.00 C ATOM 973 O ILE A 62 -19.779 6.373 -3.572 1.00 0.00 O ATOM 974 CB ILE A 62 -21.624 8.048 -1.854 1.00 0.00 C ATOM 975 CG1 ILE A 62 -22.052 9.351 -1.150 1.00 0.00 C ATOM 976 CG2 ILE A 62 -22.481 6.881 -1.382 1.00 0.00 C ATOM 977 CD1 ILE A 62 -21.836 9.359 0.350 1.00 0.00 C ATOM 0 H ILE A 62 -19.586 9.218 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 62 -19.936 7.660 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 62 -21.779 8.169 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -21.500 10.183 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -23.108 9.528 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -23.533 7.109 -1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -22.209 5.982 -1.936 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -22.316 6.715 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -22.165 10.314 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -22.410 8.552 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -20.777 9.217 0.566 1.00 0.00 H new ATOM 989 N VAL A 63 -19.321 5.500 -1.563 1.00 0.00 N ATOM 990 CA VAL A 63 -18.899 4.214 -2.069 1.00 0.00 C ATOM 991 C VAL A 63 -19.607 3.111 -1.329 1.00 0.00 C ATOM 992 O VAL A 63 -20.380 3.363 -0.421 1.00 0.00 O ATOM 993 CB VAL A 63 -17.372 3.995 -1.896 1.00 0.00 C ATOM 994 CG1 VAL A 63 -16.589 4.967 -2.727 1.00 0.00 C ATOM 995 CG2 VAL A 63 -16.963 4.109 -0.426 1.00 0.00 C ATOM 0 H VAL A 63 -19.279 5.576 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 63 -19.145 4.196 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.145 2.986 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.523 4.790 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -16.843 4.834 -3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -16.831 5.985 -2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.888 3.951 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.217 5.101 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -17.492 3.356 0.158 1.00 0.00 H new ATOM 1005 N GLU A 64 -19.354 1.910 -1.731 1.00 0.00 N ATOM 1006 CA GLU A 64 -19.837 0.744 -1.050 1.00 0.00 C ATOM 1007 C GLU A 64 -18.644 -0.124 -0.764 1.00 0.00 C ATOM 1008 O GLU A 64 -17.916 -0.495 -1.668 1.00 0.00 O ATOM 1009 CB GLU A 64 -20.863 0.016 -1.898 1.00 0.00 C ATOM 1010 CG GLU A 64 -22.102 0.854 -2.165 1.00 0.00 C ATOM 1011 CD GLU A 64 -23.088 0.165 -3.070 1.00 0.00 C ATOM 1012 OE1 GLU A 64 -23.904 -0.635 -2.588 1.00 0.00 O ATOM 1013 OE2 GLU A 64 -23.069 0.415 -4.294 1.00 0.00 O ATOM 0 H GLU A 64 -18.795 1.702 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 64 -20.338 1.013 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -20.409 -0.267 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -21.154 -0.907 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -22.588 1.089 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -21.804 1.802 -2.614 1.00 0.00 H new ATOM 1020 N THR A 65 -18.418 -0.415 0.460 1.00 0.00 N ATOM 1021 CA THR A 65 -17.229 -1.110 0.835 1.00 0.00 C ATOM 1022 C THR A 65 -17.554 -2.388 1.548 1.00 0.00 C ATOM 1023 O THR A 65 -18.630 -2.532 2.149 1.00 0.00 O ATOM 1024 CB THR A 65 -16.337 -0.209 1.727 1.00 0.00 C ATOM 1025 OG1 THR A 65 -15.136 -0.881 2.139 1.00 0.00 O ATOM 1026 CG2 THR A 65 -17.106 0.259 2.941 1.00 0.00 C ATOM 0 H THR A 65 -19.042 -0.184 1.233 1.00 0.00 H new ATOM 0 HA THR A 65 -16.682 -1.359 -0.074 1.00 0.00 H new ATOM 0 HB THR A 65 -16.047 0.653 1.127 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.992 -0.736 3.097 1.00 0.00 H new ATOM 0 HG21 THR A 65 -16.465 0.890 3.556 1.00 0.00 H new ATOM 0 HG22 THR A 65 -17.978 0.829 2.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -17.430 -0.605 3.522 1.00 0.00 H new ATOM 1034 N ARG A 66 -16.638 -3.299 1.470 1.00 0.00 N ATOM 1035 CA ARG A 66 -16.756 -4.556 2.135 1.00 0.00 C ATOM 1036 C ARG A 66 -16.258 -4.420 3.558 1.00 0.00 C ATOM 1037 O ARG A 66 -15.197 -3.829 3.801 1.00 0.00 O ATOM 1038 CB ARG A 66 -15.920 -5.620 1.426 1.00 0.00 C ATOM 1039 CG ARG A 66 -16.065 -7.009 2.032 1.00 0.00 C ATOM 1040 CD ARG A 66 -15.173 -8.032 1.353 1.00 0.00 C ATOM 1041 NE ARG A 66 -15.280 -9.353 2.000 1.00 0.00 N ATOM 1042 CZ ARG A 66 -14.242 -10.073 2.474 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -12.993 -9.700 2.208 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -14.461 -11.193 3.175 1.00 0.00 N ATOM 0 H ARG A 66 -15.776 -3.189 0.936 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.804 -4.856 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.210 -5.658 0.376 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.871 -5.326 1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.822 -6.967 3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.104 -7.329 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.449 -8.117 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.138 -7.692 1.385 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.213 -9.754 2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.818 -8.868 1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.210 -10.246 2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.416 -11.505 3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.673 -11.734 3.531 1.00 0.00 H new ATOM 1058 N THR A 67 -17.024 -4.909 4.475 1.00 0.00 N ATOM 1059 CA THR A 67 -16.608 -5.005 5.827 1.00 0.00 C ATOM 1060 C THR A 67 -16.066 -6.420 6.042 1.00 0.00 C ATOM 1061 O THR A 67 -16.335 -7.315 5.221 1.00 0.00 O ATOM 1062 CB THR A 67 -17.780 -4.691 6.778 1.00 0.00 C ATOM 1063 OG1 THR A 67 -18.949 -5.424 6.377 1.00 0.00 O ATOM 1064 CG2 THR A 67 -18.091 -3.208 6.775 1.00 0.00 C ATOM 0 H THR A 67 -17.967 -5.256 4.301 1.00 0.00 H new ATOM 0 HA THR A 67 -15.828 -4.276 6.046 1.00 0.00 H new ATOM 0 HB THR A 67 -17.490 -4.988 7.786 1.00 0.00 H new ATOM 0 HG1 THR A 67 -18.919 -6.325 6.762 1.00 0.00 H new ATOM 0 HG21 THR A 67 -18.921 -3.009 7.453 1.00 0.00 H new ATOM 0 HG22 THR A 67 -17.213 -2.651 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 67 -18.363 -2.895 5.767 1.00 0.00 H new ATOM 1072 N SER A 68 -15.333 -6.637 7.112 1.00 0.00 N ATOM 1073 CA SER A 68 -14.677 -7.918 7.377 1.00 0.00 C ATOM 1074 C SER A 68 -15.643 -9.130 7.425 1.00 0.00 C ATOM 1075 O SER A 68 -15.241 -10.259 7.165 1.00 0.00 O ATOM 1076 CB SER A 68 -13.878 -7.799 8.654 1.00 0.00 C ATOM 1077 OG SER A 68 -13.002 -6.686 8.561 1.00 0.00 O ATOM 0 H SER A 68 -15.169 -5.933 7.831 1.00 0.00 H new ATOM 0 HA SER A 68 -14.019 -8.127 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 68 -14.548 -7.678 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 68 -13.307 -8.712 8.825 1.00 0.00 H new ATOM 0 HG SER A 68 -12.485 -6.607 9.389 1.00 0.00 H new ATOM 1083 N ASP A 69 -16.906 -8.881 7.708 1.00 0.00 N ATOM 1084 CA ASP A 69 -17.918 -9.940 7.777 1.00 0.00 C ATOM 1085 C ASP A 69 -18.416 -10.336 6.383 1.00 0.00 C ATOM 1086 O ASP A 69 -19.235 -11.242 6.244 1.00 0.00 O ATOM 1087 CB ASP A 69 -19.096 -9.514 8.659 1.00 0.00 C ATOM 1088 CG ASP A 69 -19.771 -8.274 8.152 1.00 0.00 C ATOM 1089 OD1 ASP A 69 -19.172 -7.195 8.231 1.00 0.00 O ATOM 1090 OD2 ASP A 69 -20.892 -8.345 7.640 1.00 0.00 O ATOM 0 H ASP A 69 -17.268 -7.946 7.897 1.00 0.00 H new ATOM 0 HA ASP A 69 -17.443 -10.813 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.822 -10.326 8.708 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.742 -9.342 9.675 1.00 0.00 H new ATOM 1095 N GLY A 70 -17.935 -9.650 5.359 1.00 0.00 N ATOM 1096 CA GLY A 70 -18.277 -10.021 4.000 1.00 0.00 C ATOM 1097 C GLY A 70 -19.438 -9.243 3.427 1.00 0.00 C ATOM 1098 O GLY A 70 -19.908 -9.537 2.325 1.00 0.00 O ATOM 0 H GLY A 70 -17.315 -8.844 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.405 -9.874 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.516 -11.084 3.973 1.00 0.00 H new ATOM 1102 N SER A 71 -19.905 -8.270 4.147 1.00 0.00 N ATOM 1103 CA SER A 71 -21.012 -7.480 3.683 1.00 0.00 C ATOM 1104 C SER A 71 -20.516 -6.192 3.045 1.00 0.00 C ATOM 1105 O SER A 71 -19.434 -5.706 3.372 1.00 0.00 O ATOM 1106 CB SER A 71 -21.941 -7.171 4.840 1.00 0.00 C ATOM 1107 OG SER A 71 -22.350 -8.370 5.494 1.00 0.00 O ATOM 0 H SER A 71 -19.539 -8.001 5.060 1.00 0.00 H new ATOM 0 HA SER A 71 -21.559 -8.047 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 71 -21.438 -6.517 5.552 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.816 -6.633 4.476 1.00 0.00 H new ATOM 0 HG SER A 71 -22.174 -8.295 6.455 1.00 0.00 H new ATOM 1113 N PHE A 72 -21.281 -5.674 2.129 1.00 0.00 N ATOM 1114 CA PHE A 72 -20.981 -4.430 1.484 1.00 0.00 C ATOM 1115 C PHE A 72 -21.984 -3.405 1.927 1.00 0.00 C ATOM 1116 O PHE A 72 -23.185 -3.595 1.767 1.00 0.00 O ATOM 1117 CB PHE A 72 -20.980 -4.560 -0.050 1.00 0.00 C ATOM 1118 CG PHE A 72 -19.774 -5.268 -0.619 1.00 0.00 C ATOM 1119 CD1 PHE A 72 -19.679 -6.651 -0.607 1.00 0.00 C ATOM 1120 CD2 PHE A 72 -18.729 -4.537 -1.164 1.00 0.00 C ATOM 1121 CE1 PHE A 72 -18.568 -7.287 -1.130 1.00 0.00 C ATOM 1122 CE2 PHE A 72 -17.618 -5.167 -1.690 1.00 0.00 C ATOM 1123 CZ PHE A 72 -17.537 -6.544 -1.671 1.00 0.00 C ATOM 0 H PHE A 72 -22.144 -6.111 1.804 1.00 0.00 H new ATOM 0 HA PHE A 72 -19.976 -4.121 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -21.878 -5.096 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -21.039 -3.563 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -20.481 -7.238 -0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -18.785 -3.459 -1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -18.506 -8.365 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.815 -4.583 -2.115 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.669 -7.040 -2.079 1.00 0.00 H new ATOM 1133 N GLN A 73 -21.508 -2.354 2.511 1.00 0.00 N ATOM 1134 CA GLN A 73 -22.361 -1.302 2.990 1.00 0.00 C ATOM 1135 C GLN A 73 -21.881 0.031 2.462 1.00 0.00 C ATOM 1136 O GLN A 73 -20.684 0.194 2.150 1.00 0.00 O ATOM 1137 CB GLN A 73 -22.466 -1.319 4.530 1.00 0.00 C ATOM 1138 CG GLN A 73 -23.303 -2.479 5.081 1.00 0.00 C ATOM 1139 CD GLN A 73 -23.353 -2.545 6.606 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -22.277 -2.191 7.256 1.00 0.00 O flip ATOM 1141 NE2 GLN A 73 -24.357 -2.962 7.189 1.00 0.00 N flip ATOM 0 H GLN A 73 -20.514 -2.195 2.673 1.00 0.00 H new ATOM 0 HA GLN A 73 -23.370 -1.468 2.613 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.463 -1.375 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -22.901 -0.378 4.865 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -24.320 -2.392 4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -22.898 -3.417 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -25.183 -3.231 6.654 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -24.362 -3.038 8.206 1.00 0.00 H new ATOM 1150 N GLU A 74 -22.797 0.960 2.353 1.00 0.00 N ATOM 1151 CA GLU A 74 -22.539 2.259 1.800 1.00 0.00 C ATOM 1152 C GLU A 74 -21.728 3.115 2.778 1.00 0.00 C ATOM 1153 O GLU A 74 -22.080 3.263 3.975 1.00 0.00 O ATOM 1154 CB GLU A 74 -23.865 2.915 1.402 1.00 0.00 C ATOM 1155 CG GLU A 74 -23.738 4.234 0.676 1.00 0.00 C ATOM 1156 CD GLU A 74 -25.066 4.732 0.173 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -25.837 5.342 0.951 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -25.381 4.514 -1.009 1.00 0.00 O ATOM 0 H GLU A 74 -23.763 0.828 2.654 1.00 0.00 H new ATOM 0 HA GLU A 74 -21.931 2.163 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.419 2.222 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.460 3.070 2.302 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -23.303 4.976 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -23.052 4.121 -0.163 1.00 0.00 H new ATOM 1165 N ALA A 75 -20.654 3.651 2.275 1.00 0.00 N ATOM 1166 CA ALA A 75 -19.710 4.413 3.058 1.00 0.00 C ATOM 1167 C ALA A 75 -19.276 5.679 2.355 1.00 0.00 C ATOM 1168 O ALA A 75 -19.558 5.869 1.178 1.00 0.00 O ATOM 1169 CB ALA A 75 -18.483 3.579 3.337 1.00 0.00 C ATOM 0 H ALA A 75 -20.400 3.572 1.290 1.00 0.00 H new ATOM 0 HA ALA A 75 -20.213 4.687 3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.775 4.160 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.769 2.684 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -18.018 3.290 2.395 1.00 0.00 H new ATOM 1175 N ILE A 76 -18.608 6.536 3.089 1.00 0.00 N ATOM 1176 CA ILE A 76 -18.023 7.760 2.543 1.00 0.00 C ATOM 1177 C ILE A 76 -16.518 7.681 2.735 1.00 0.00 C ATOM 1178 O ILE A 76 -16.061 7.112 3.733 1.00 0.00 O ATOM 1179 CB ILE A 76 -18.484 8.979 3.347 1.00 0.00 C ATOM 1180 CG1 ILE A 76 -19.980 8.953 3.547 1.00 0.00 C ATOM 1181 CG2 ILE A 76 -18.066 10.281 2.647 1.00 0.00 C ATOM 1182 CD1 ILE A 76 -20.381 9.664 4.793 1.00 0.00 C ATOM 0 H ILE A 76 -18.448 6.413 4.089 1.00 0.00 H new ATOM 0 HA ILE A 76 -18.318 7.855 1.498 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.003 8.940 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.470 9.416 2.690 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -20.324 7.919 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.403 11.135 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.980 10.311 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -18.517 10.322 1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -21.465 9.624 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -19.912 9.185 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -20.060 10.704 4.738 1.00 0.00 H new ATOM 1194 N ILE A 77 -15.758 8.225 1.809 1.00 0.00 N ATOM 1195 CA ILE A 77 -14.314 8.285 1.964 1.00 0.00 C ATOM 1196 C ILE A 77 -13.974 9.413 2.913 1.00 0.00 C ATOM 1197 O ILE A 77 -14.243 10.571 2.615 1.00 0.00 O ATOM 1198 CB ILE A 77 -13.519 8.513 0.628 1.00 0.00 C ATOM 1199 CG1 ILE A 77 -13.722 7.394 -0.388 1.00 0.00 C ATOM 1200 CG2 ILE A 77 -12.031 8.691 0.885 1.00 0.00 C ATOM 1201 CD1 ILE A 77 -15.059 7.386 -1.031 1.00 0.00 C ATOM 0 H ILE A 77 -16.111 8.632 0.943 1.00 0.00 H new ATOM 0 HA ILE A 77 -14.012 7.309 2.343 1.00 0.00 H new ATOM 0 HB ILE A 77 -13.928 9.430 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.960 7.480 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -13.565 6.436 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.514 8.846 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -11.874 9.556 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.637 7.799 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.118 6.559 -1.738 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.829 7.267 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.214 8.327 -1.559 1.00 0.00 H new ATOM 1213 N SER A 78 -13.425 9.083 4.037 1.00 0.00 N ATOM 1214 CA SER A 78 -13.013 10.068 4.996 1.00 0.00 C ATOM 1215 C SER A 78 -11.507 10.341 4.854 1.00 0.00 C ATOM 1216 O SER A 78 -11.000 11.355 5.327 1.00 0.00 O ATOM 1217 CB SER A 78 -13.360 9.577 6.395 1.00 0.00 C ATOM 1218 OG SER A 78 -14.743 9.246 6.460 1.00 0.00 O ATOM 0 H SER A 78 -13.247 8.120 4.321 1.00 0.00 H new ATOM 0 HA SER A 78 -13.538 11.007 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.756 8.705 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.126 10.348 7.129 1.00 0.00 H new ATOM 0 HG SER A 78 -14.961 8.929 7.361 1.00 0.00 H new ATOM 1224 N LYS A 79 -10.808 9.428 4.186 1.00 0.00 N ATOM 1225 CA LYS A 79 -9.385 9.560 3.920 1.00 0.00 C ATOM 1226 C LYS A 79 -8.981 8.490 2.936 1.00 0.00 C ATOM 1227 O LYS A 79 -9.666 7.486 2.807 1.00 0.00 O ATOM 1228 CB LYS A 79 -8.538 9.396 5.209 1.00 0.00 C ATOM 1229 CG LYS A 79 -7.068 9.780 5.012 1.00 0.00 C ATOM 1230 CD LYS A 79 -6.274 9.738 6.296 1.00 0.00 C ATOM 1231 CE LYS A 79 -6.797 10.748 7.297 1.00 0.00 C ATOM 1232 NZ LYS A 79 -5.930 10.836 8.468 1.00 0.00 N ATOM 0 H LYS A 79 -11.218 8.572 3.813 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.203 10.558 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.966 10.013 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.595 8.361 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.615 9.103 4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.013 10.783 4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.324 8.737 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.224 9.942 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.871 11.727 6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.803 10.467 7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.316 11.536 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.879 9.907 8.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.976 11.128 8.173 1.00 0.00 H new ATOM 1246 N LEU A 80 -7.915 8.716 2.238 1.00 0.00 N ATOM 1247 CA LEU A 80 -7.345 7.737 1.374 1.00 0.00 C ATOM 1248 C LEU A 80 -5.824 7.775 1.451 1.00 0.00 C ATOM 1249 O LEU A 80 -5.183 8.745 1.069 1.00 0.00 O ATOM 1250 CB LEU A 80 -7.918 7.775 -0.075 1.00 0.00 C ATOM 1251 CG LEU A 80 -8.440 9.114 -0.643 1.00 0.00 C ATOM 1252 CD1 LEU A 80 -7.379 10.199 -0.667 1.00 0.00 C ATOM 1253 CD2 LEU A 80 -8.974 8.893 -2.035 1.00 0.00 C ATOM 0 H LEU A 80 -7.409 9.601 2.254 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.652 6.756 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.138 7.416 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.736 7.056 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.232 9.460 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.805 11.115 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.025 10.384 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.544 9.878 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.343 9.837 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.177 8.513 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.789 8.170 -2.002 1.00 0.00 H new ATOM 1265 N THR A 81 -5.280 6.739 2.011 1.00 0.00 N ATOM 1266 CA THR A 81 -3.869 6.595 2.217 1.00 0.00 C ATOM 1267 C THR A 81 -3.313 5.629 1.166 1.00 0.00 C ATOM 1268 O THR A 81 -3.595 4.432 1.217 1.00 0.00 O ATOM 1269 CB THR A 81 -3.637 6.029 3.638 1.00 0.00 C ATOM 1270 OG1 THR A 81 -4.326 6.862 4.596 1.00 0.00 O ATOM 1271 CG2 THR A 81 -2.161 5.985 3.989 1.00 0.00 C ATOM 0 H THR A 81 -5.822 5.944 2.349 1.00 0.00 H new ATOM 0 HA THR A 81 -3.363 7.556 2.122 1.00 0.00 H new ATOM 0 HB THR A 81 -4.022 5.010 3.665 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.185 6.508 5.499 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.038 5.582 4.994 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.636 5.349 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.747 6.993 3.949 1.00 0.00 H new ATOM 1279 N ASP A 82 -2.573 6.144 0.204 1.00 0.00 N ATOM 1280 CA ASP A 82 -2.064 5.318 -0.903 1.00 0.00 C ATOM 1281 C ASP A 82 -1.035 4.326 -0.382 1.00 0.00 C ATOM 1282 O ASP A 82 -0.182 4.680 0.437 1.00 0.00 O ATOM 1283 CB ASP A 82 -1.434 6.186 -2.001 1.00 0.00 C ATOM 1284 CG ASP A 82 -1.147 5.415 -3.290 1.00 0.00 C ATOM 1285 OD1 ASP A 82 -0.226 4.563 -3.322 1.00 0.00 O ATOM 1286 OD2 ASP A 82 -1.849 5.659 -4.288 1.00 0.00 O ATOM 0 H ASP A 82 -2.305 7.127 0.155 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.907 4.778 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.101 7.018 -2.224 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.504 6.615 -1.627 1.00 0.00 H new ATOM 1291 N ALA A 83 -1.137 3.094 -0.812 1.00 0.00 N ATOM 1292 CA ALA A 83 -0.209 2.075 -0.387 1.00 0.00 C ATOM 1293 C ALA A 83 0.628 1.620 -1.565 1.00 0.00 C ATOM 1294 O ALA A 83 1.834 1.865 -1.594 1.00 0.00 O ATOM 1295 CB ALA A 83 -0.944 0.901 0.251 1.00 0.00 C ATOM 0 H ALA A 83 -1.856 2.771 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 83 0.454 2.496 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.222 0.146 0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.502 1.250 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.633 0.467 -0.473 1.00 0.00 H new ATOM 1301 N SER A 84 -0.042 1.028 -2.552 1.00 0.00 N ATOM 1302 CA SER A 84 0.574 0.495 -3.771 1.00 0.00 C ATOM 1303 C SER A 84 1.654 -0.591 -3.521 1.00 0.00 C ATOM 1304 O SER A 84 2.733 -0.338 -2.986 1.00 0.00 O ATOM 1305 CB SER A 84 1.060 1.624 -4.683 1.00 0.00 C ATOM 1306 OG SER A 84 -0.041 2.457 -5.048 1.00 0.00 O ATOM 0 H SER A 84 -1.054 0.901 -2.528 1.00 0.00 H new ATOM 0 HA SER A 84 -0.216 -0.039 -4.299 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.821 2.214 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.525 1.208 -5.577 1.00 0.00 H new ATOM 0 HG SER A 84 -0.182 3.135 -4.355 1.00 0.00 H new ATOM 1312 N TRP A 85 1.333 -1.794 -3.925 1.00 0.00 N ATOM 1313 CA TRP A 85 2.223 -2.935 -3.779 1.00 0.00 C ATOM 1314 C TRP A 85 2.881 -3.263 -5.095 1.00 0.00 C ATOM 1315 O TRP A 85 2.248 -3.168 -6.158 1.00 0.00 O ATOM 1316 CB TRP A 85 1.501 -4.185 -3.254 1.00 0.00 C ATOM 1317 CG TRP A 85 1.171 -4.173 -1.781 1.00 0.00 C ATOM 1318 CD1 TRP A 85 -0.050 -4.377 -1.216 1.00 0.00 C ATOM 1319 CD2 TRP A 85 2.084 -3.962 -0.684 1.00 0.00 C ATOM 1320 NE1 TRP A 85 0.042 -4.313 0.150 1.00 0.00 N ATOM 1321 CE2 TRP A 85 1.334 -4.055 0.502 1.00 0.00 C ATOM 1322 CE3 TRP A 85 3.456 -3.704 -0.590 1.00 0.00 C ATOM 1323 CZ2 TRP A 85 1.908 -3.902 1.763 1.00 0.00 C ATOM 1324 CZ3 TRP A 85 4.022 -3.553 0.661 1.00 0.00 C ATOM 1325 CH2 TRP A 85 3.249 -3.651 1.822 1.00 0.00 C ATOM 0 H TRP A 85 0.442 -2.019 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 85 2.975 -2.648 -3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.575 -4.311 -3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 85 2.122 -5.056 -3.463 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.961 -4.563 -1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -0.733 -4.439 0.801 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.062 -3.624 -1.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 1.313 -3.979 2.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 5.081 -3.356 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 85 3.722 -3.526 2.785 1.00 0.00 H new ATOM 1336 N TYR A 86 4.136 -3.634 -5.029 1.00 0.00 N ATOM 1337 CA TYR A 86 4.908 -3.969 -6.190 1.00 0.00 C ATOM 1338 C TYR A 86 5.546 -5.334 -5.980 1.00 0.00 C ATOM 1339 O TYR A 86 6.452 -5.485 -5.156 1.00 0.00 O ATOM 1340 CB TYR A 86 6.006 -2.907 -6.405 1.00 0.00 C ATOM 1341 CG TYR A 86 5.478 -1.486 -6.419 1.00 0.00 C ATOM 1342 CD1 TYR A 86 5.013 -0.909 -7.583 1.00 0.00 C ATOM 1343 CD2 TYR A 86 5.418 -0.734 -5.248 1.00 0.00 C ATOM 1344 CE1 TYR A 86 4.514 0.360 -7.588 1.00 0.00 C ATOM 1345 CE2 TYR A 86 4.921 0.546 -5.253 1.00 0.00 C ATOM 1346 CZ TYR A 86 4.470 1.084 -6.427 1.00 0.00 C ATOM 1347 OH TYR A 86 3.955 2.347 -6.449 1.00 0.00 O ATOM 0 H TYR A 86 4.653 -3.711 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 86 4.264 -3.996 -7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.751 -3.001 -5.615 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.514 -3.107 -7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 86 5.045 -1.471 -8.505 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.768 -1.165 -4.321 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.153 0.794 -8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.887 1.122 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 86 4.681 2.994 -6.569 1.00 0.00 H new ATOM 1357 N THR A 87 5.045 -6.327 -6.654 1.00 0.00 N ATOM 1358 CA THR A 87 5.602 -7.623 -6.579 1.00 0.00 C ATOM 1359 C THR A 87 6.703 -7.720 -7.608 1.00 0.00 C ATOM 1360 O THR A 87 6.456 -7.732 -8.828 1.00 0.00 O ATOM 1361 CB THR A 87 4.541 -8.697 -6.801 1.00 0.00 C ATOM 1362 OG1 THR A 87 3.471 -8.500 -5.853 1.00 0.00 O ATOM 1363 CG2 THR A 87 5.143 -10.066 -6.603 1.00 0.00 C ATOM 0 H THR A 87 4.236 -6.249 -7.270 1.00 0.00 H new ATOM 0 HA THR A 87 6.010 -7.792 -5.583 1.00 0.00 H new ATOM 0 HB THR A 87 4.157 -8.624 -7.818 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.783 -9.185 -5.989 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.379 -10.826 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.956 -10.213 -7.315 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.530 -10.150 -5.588 1.00 0.00 H new ATOM 1371 N VAL A 88 7.892 -7.732 -7.119 1.00 0.00 N ATOM 1372 CA VAL A 88 9.058 -7.693 -7.926 1.00 0.00 C ATOM 1373 C VAL A 88 9.824 -9.015 -7.851 1.00 0.00 C ATOM 1374 O VAL A 88 9.793 -9.705 -6.830 1.00 0.00 O ATOM 1375 CB VAL A 88 9.959 -6.490 -7.517 1.00 0.00 C ATOM 1376 CG1 VAL A 88 9.280 -5.182 -7.840 1.00 0.00 C ATOM 1377 CG2 VAL A 88 10.277 -6.531 -6.043 1.00 0.00 C ATOM 0 H VAL A 88 8.085 -7.770 -6.118 1.00 0.00 H new ATOM 0 HA VAL A 88 8.755 -7.552 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 88 10.886 -6.567 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.926 -4.355 -7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.085 -5.128 -8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.338 -5.117 -7.296 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.907 -5.681 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.351 -6.485 -5.470 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.803 -7.457 -5.810 1.00 0.00 H new ATOM 1387 N VAL A 89 10.460 -9.363 -8.942 1.00 0.00 N ATOM 1388 CA VAL A 89 11.235 -10.590 -9.069 1.00 0.00 C ATOM 1389 C VAL A 89 12.719 -10.271 -9.021 1.00 0.00 C ATOM 1390 O VAL A 89 13.211 -9.449 -9.777 1.00 0.00 O ATOM 1391 CB VAL A 89 10.871 -11.397 -10.369 1.00 0.00 C ATOM 1392 CG1 VAL A 89 11.029 -10.574 -11.642 1.00 0.00 C ATOM 1393 CG2 VAL A 89 11.679 -12.672 -10.472 1.00 0.00 C ATOM 0 H VAL A 89 10.458 -8.795 -9.789 1.00 0.00 H new ATOM 0 HA VAL A 89 10.980 -11.232 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 89 9.815 -11.652 -10.276 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.764 -11.184 -12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.373 -9.705 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.063 -10.244 -11.736 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.403 -13.205 -11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.741 -12.428 -10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.476 -13.302 -9.606 1.00 0.00 H new ATOM 1403 N PHE A 90 13.400 -10.905 -8.128 1.00 0.00 N ATOM 1404 CA PHE A 90 14.797 -10.631 -7.891 1.00 0.00 C ATOM 1405 C PHE A 90 15.705 -11.534 -8.700 1.00 0.00 C ATOM 1406 O PHE A 90 15.224 -12.359 -9.481 1.00 0.00 O ATOM 1407 CB PHE A 90 15.088 -10.751 -6.409 1.00 0.00 C ATOM 1408 CG PHE A 90 14.404 -9.694 -5.598 1.00 0.00 C ATOM 1409 CD1 PHE A 90 13.056 -9.779 -5.312 1.00 0.00 C ATOM 1410 CD2 PHE A 90 15.112 -8.616 -5.136 1.00 0.00 C ATOM 1411 CE1 PHE A 90 12.433 -8.805 -4.578 1.00 0.00 C ATOM 1412 CE2 PHE A 90 14.500 -7.633 -4.400 1.00 0.00 C ATOM 1413 CZ PHE A 90 13.155 -7.729 -4.115 1.00 0.00 C ATOM 0 H PHE A 90 13.010 -11.635 -7.532 1.00 0.00 H new ATOM 0 HA PHE A 90 15.005 -9.613 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 90 14.771 -11.733 -6.059 1.00 0.00 H new ATOM 0 HB3 PHE A 90 16.164 -10.687 -6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 90 12.486 -10.623 -5.671 1.00 0.00 H new ATOM 0 HD2 PHE A 90 16.167 -8.539 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.377 -8.881 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 90 15.070 -6.787 -4.045 1.00 0.00 H new ATOM 0 HZ PHE A 90 12.669 -6.962 -3.530 1.00 0.00 H new ATOM 1423 N ASP A 91 17.013 -11.381 -8.482 1.00 0.00 N ATOM 1424 CA ASP A 91 18.091 -12.123 -9.188 1.00 0.00 C ATOM 1425 C ASP A 91 17.832 -13.612 -9.246 1.00 0.00 C ATOM 1426 O ASP A 91 18.055 -14.248 -10.271 1.00 0.00 O ATOM 1427 CB ASP A 91 19.441 -11.943 -8.480 1.00 0.00 C ATOM 1428 CG ASP A 91 19.934 -10.526 -8.403 1.00 0.00 C ATOM 1429 OD1 ASP A 91 19.527 -9.797 -7.472 1.00 0.00 O ATOM 1430 OD2 ASP A 91 20.788 -10.132 -9.231 1.00 0.00 O ATOM 0 H ASP A 91 17.375 -10.722 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 91 18.110 -11.709 -10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.359 -12.339 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.189 -12.544 -8.997 1.00 0.00 H new ATOM 1435 N ASP A 92 17.355 -14.163 -8.146 1.00 0.00 N ATOM 1436 CA ASP A 92 17.159 -15.608 -8.042 1.00 0.00 C ATOM 1437 C ASP A 92 15.929 -16.076 -8.828 1.00 0.00 C ATOM 1438 O ASP A 92 15.800 -17.244 -9.161 1.00 0.00 O ATOM 1439 CB ASP A 92 17.048 -16.023 -6.567 1.00 0.00 C ATOM 1440 CG ASP A 92 17.042 -17.524 -6.371 1.00 0.00 C ATOM 1441 OD1 ASP A 92 18.132 -18.137 -6.372 1.00 0.00 O ATOM 1442 OD2 ASP A 92 15.964 -18.119 -6.198 1.00 0.00 O ATOM 0 H ASP A 92 17.095 -13.639 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 92 18.029 -16.093 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.881 -15.593 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 92 16.134 -15.604 -6.146 1.00 0.00 H new ATOM 1447 N GLY A 93 15.063 -15.152 -9.175 1.00 0.00 N ATOM 1448 CA GLY A 93 13.848 -15.510 -9.880 1.00 0.00 C ATOM 1449 C GLY A 93 12.667 -15.606 -8.942 1.00 0.00 C ATOM 1450 O GLY A 93 11.559 -15.972 -9.346 1.00 0.00 O ATOM 0 H GLY A 93 15.172 -14.156 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.642 -14.767 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.989 -16.465 -10.387 1.00 0.00 H new ATOM 1454 N ASP A 94 12.893 -15.246 -7.705 1.00 0.00 N ATOM 1455 CA ASP A 94 11.868 -15.309 -6.685 1.00 0.00 C ATOM 1456 C ASP A 94 11.236 -13.932 -6.550 1.00 0.00 C ATOM 1457 O ASP A 94 11.901 -12.919 -6.815 1.00 0.00 O ATOM 1458 CB ASP A 94 12.479 -15.782 -5.359 1.00 0.00 C ATOM 1459 CG ASP A 94 11.452 -15.990 -4.270 1.00 0.00 C ATOM 1460 OD1 ASP A 94 10.772 -17.056 -4.258 1.00 0.00 O ATOM 1461 OD2 ASP A 94 11.307 -15.133 -3.417 1.00 0.00 O ATOM 0 H ASP A 94 13.793 -14.900 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 94 11.095 -16.026 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.015 -16.716 -5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.212 -15.049 -5.023 1.00 0.00 H new ATOM 1466 N GLU A 95 9.974 -13.883 -6.182 1.00 0.00 N ATOM 1467 CA GLU A 95 9.256 -12.644 -6.114 1.00 0.00 C ATOM 1468 C GLU A 95 8.850 -12.290 -4.683 1.00 0.00 C ATOM 1469 O GLU A 95 8.525 -13.175 -3.857 1.00 0.00 O ATOM 1470 CB GLU A 95 8.024 -12.716 -7.018 1.00 0.00 C ATOM 1471 CG GLU A 95 7.089 -13.864 -6.669 1.00 0.00 C ATOM 1472 CD GLU A 95 5.857 -13.914 -7.510 1.00 0.00 C ATOM 1473 OE1 GLU A 95 5.873 -14.575 -8.559 1.00 0.00 O ATOM 1474 OE2 GLU A 95 4.833 -13.326 -7.120 1.00 0.00 O ATOM 0 H GLU A 95 9.424 -14.703 -5.924 1.00 0.00 H new ATOM 0 HA GLU A 95 9.920 -11.852 -6.461 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.476 -11.776 -6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.347 -12.822 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.629 -14.805 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.800 -13.779 -5.622 1.00 0.00 H new ATOM 1481 N ARG A 96 8.886 -11.018 -4.398 1.00 0.00 N ATOM 1482 CA ARG A 96 8.459 -10.464 -3.133 1.00 0.00 C ATOM 1483 C ARG A 96 7.650 -9.219 -3.405 1.00 0.00 C ATOM 1484 O ARG A 96 7.854 -8.553 -4.424 1.00 0.00 O ATOM 1485 CB ARG A 96 9.652 -10.124 -2.215 1.00 0.00 C ATOM 1486 CG ARG A 96 10.394 -11.313 -1.642 1.00 0.00 C ATOM 1487 CD ARG A 96 9.473 -12.131 -0.760 1.00 0.00 C ATOM 1488 NE ARG A 96 10.143 -13.265 -0.139 1.00 0.00 N ATOM 1489 CZ ARG A 96 9.825 -14.540 -0.375 1.00 0.00 C ATOM 1490 NH1 ARG A 96 9.062 -14.855 -1.420 1.00 0.00 N ATOM 1491 NH2 ARG A 96 10.326 -15.499 0.378 1.00 0.00 N ATOM 0 H ARG A 96 9.222 -10.314 -5.055 1.00 0.00 H new ATOM 0 HA ARG A 96 7.858 -11.211 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.359 -9.514 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.289 -9.512 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.780 -11.933 -2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.253 -10.971 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 96 9.059 -11.490 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.634 -12.492 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 96 10.901 -13.074 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.720 -14.122 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.820 -15.829 -1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.959 -15.268 1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 96 10.081 -16.472 0.195 1.00 0.00 H new ATOM 1505 N THR A 97 6.737 -8.915 -2.531 1.00 0.00 N ATOM 1506 CA THR A 97 5.917 -7.762 -2.671 1.00 0.00 C ATOM 1507 C THR A 97 6.463 -6.633 -1.791 1.00 0.00 C ATOM 1508 O THR A 97 6.414 -6.700 -0.554 1.00 0.00 O ATOM 1509 CB THR A 97 4.463 -8.112 -2.321 1.00 0.00 C ATOM 1510 OG1 THR A 97 4.034 -9.205 -3.166 1.00 0.00 O ATOM 1511 CG2 THR A 97 3.559 -6.936 -2.561 1.00 0.00 C ATOM 0 H THR A 97 6.544 -9.468 -1.696 1.00 0.00 H new ATOM 0 HA THR A 97 5.933 -7.416 -3.704 1.00 0.00 H new ATOM 0 HB THR A 97 4.410 -8.388 -1.268 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.877 -8.874 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 97 2.534 -7.207 -2.306 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.878 -6.099 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.608 -6.648 -3.611 1.00 0.00 H new ATOM 1519 N LEU A 98 7.013 -5.634 -2.437 1.00 0.00 N ATOM 1520 CA LEU A 98 7.655 -4.521 -1.775 1.00 0.00 C ATOM 1521 C LEU A 98 6.851 -3.251 -1.962 1.00 0.00 C ATOM 1522 O LEU A 98 6.011 -3.160 -2.858 1.00 0.00 O ATOM 1523 CB LEU A 98 9.080 -4.283 -2.342 1.00 0.00 C ATOM 1524 CG LEU A 98 10.226 -5.245 -1.955 1.00 0.00 C ATOM 1525 CD1 LEU A 98 10.496 -5.218 -0.464 1.00 0.00 C ATOM 1526 CD2 LEU A 98 9.972 -6.658 -2.411 1.00 0.00 C ATOM 0 H LEU A 98 7.028 -5.569 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 98 7.719 -4.769 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.003 -4.288 -3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.384 -3.278 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 98 11.113 -4.884 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 98 11.308 -5.906 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.778 -4.209 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.597 -5.519 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 98 10.807 -7.292 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.055 -7.028 -1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.870 -6.677 -3.496 1.00 0.00 H new ATOM 1538 N ARG A 99 7.091 -2.305 -1.087 1.00 0.00 N ATOM 1539 CA ARG A 99 6.542 -0.972 -1.193 1.00 0.00 C ATOM 1540 C ARG A 99 7.618 -0.070 -1.777 1.00 0.00 C ATOM 1541 O ARG A 99 8.808 -0.421 -1.709 1.00 0.00 O ATOM 1542 CB ARG A 99 6.053 -0.462 0.176 1.00 0.00 C ATOM 1543 CG ARG A 99 7.051 -0.595 1.319 1.00 0.00 C ATOM 1544 CD ARG A 99 6.477 0.000 2.592 1.00 0.00 C ATOM 1545 NE ARG A 99 7.320 -0.243 3.776 1.00 0.00 N ATOM 1546 CZ ARG A 99 7.435 0.597 4.817 1.00 0.00 C ATOM 1547 NH1 ARG A 99 6.963 1.828 4.735 1.00 0.00 N ATOM 1548 NH2 ARG A 99 8.066 0.217 5.921 1.00 0.00 N ATOM 0 H ARG A 99 7.683 -2.440 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 99 5.670 -0.974 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.779 0.588 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.146 -1.004 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.294 -1.646 1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.981 -0.088 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.350 1.074 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.486 -0.419 2.767 1.00 0.00 H new ATOM 0 HE ARG A 99 7.854 -1.111 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.509 2.144 3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.053 2.463 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.467 -0.719 5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.149 0.861 6.708 1.00 0.00 H new ATOM 1562 N ARG A 100 7.241 1.094 -2.306 1.00 0.00 N ATOM 1563 CA ARG A 100 8.199 1.985 -2.993 1.00 0.00 C ATOM 1564 C ARG A 100 9.319 2.465 -2.057 1.00 0.00 C ATOM 1565 O ARG A 100 10.418 2.808 -2.506 1.00 0.00 O ATOM 1566 CB ARG A 100 7.504 3.194 -3.634 1.00 0.00 C ATOM 1567 CG ARG A 100 8.457 4.045 -4.477 1.00 0.00 C ATOM 1568 CD ARG A 100 7.818 5.312 -4.990 1.00 0.00 C ATOM 1569 NE ARG A 100 7.383 6.194 -3.903 1.00 0.00 N ATOM 1570 CZ ARG A 100 7.824 7.443 -3.692 1.00 0.00 C ATOM 1571 NH1 ARG A 100 8.909 7.900 -4.331 1.00 0.00 N ATOM 1572 NH2 ARG A 100 7.207 8.206 -2.808 1.00 0.00 N ATOM 0 H ARG A 100 6.285 1.448 -2.277 1.00 0.00 H new ATOM 0 HA ARG A 100 8.648 1.385 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.683 2.846 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.066 3.813 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.331 4.302 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.811 3.455 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.528 5.843 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.961 5.058 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 100 6.687 5.828 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.408 7.297 -4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.236 8.851 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 100 6.404 7.844 -2.294 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.534 9.157 -2.639 1.00 0.00 H new ATOM 1586 N THR A 101 9.049 2.452 -0.771 1.00 0.00 N ATOM 1587 CA THR A 101 9.995 2.854 0.250 1.00 0.00 C ATOM 1588 C THR A 101 11.289 1.979 0.188 1.00 0.00 C ATOM 1589 O THR A 101 12.383 2.416 0.573 1.00 0.00 O ATOM 1590 CB THR A 101 9.313 2.678 1.614 1.00 0.00 C ATOM 1591 OG1 THR A 101 7.930 3.063 1.476 1.00 0.00 O ATOM 1592 CG2 THR A 101 9.970 3.558 2.669 1.00 0.00 C ATOM 0 H THR A 101 8.148 2.156 -0.396 1.00 0.00 H new ATOM 0 HA THR A 101 10.289 3.892 0.093 1.00 0.00 H new ATOM 0 HB THR A 101 9.403 1.639 1.930 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.473 2.957 2.337 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.468 3.415 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.021 3.287 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.891 4.604 2.371 1.00 0.00 H new ATOM 1600 N SER A 102 11.152 0.771 -0.344 1.00 0.00 N ATOM 1601 CA SER A 102 12.253 -0.159 -0.462 1.00 0.00 C ATOM 1602 C SER A 102 12.890 -0.085 -1.857 1.00 0.00 C ATOM 1603 O SER A 102 13.953 -0.669 -2.096 1.00 0.00 O ATOM 1604 CB SER A 102 11.721 -1.567 -0.247 1.00 0.00 C ATOM 1605 OG SER A 102 11.003 -1.661 0.972 1.00 0.00 O ATOM 0 H SER A 102 10.268 0.413 -0.705 1.00 0.00 H new ATOM 0 HA SER A 102 13.008 0.096 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.072 -1.844 -1.077 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.550 -2.275 -0.240 1.00 0.00 H new ATOM 0 HG SER A 102 10.946 -2.600 1.247 1.00 0.00 H new ATOM 1611 N LEU A 103 12.260 0.650 -2.749 1.00 0.00 N ATOM 1612 CA LEU A 103 12.651 0.660 -4.140 1.00 0.00 C ATOM 1613 C LEU A 103 13.623 1.743 -4.502 1.00 0.00 C ATOM 1614 O LEU A 103 13.475 2.903 -4.137 1.00 0.00 O ATOM 1615 CB LEU A 103 11.443 0.645 -5.097 1.00 0.00 C ATOM 1616 CG LEU A 103 10.878 -0.743 -5.473 1.00 0.00 C ATOM 1617 CD1 LEU A 103 10.508 -1.556 -4.254 1.00 0.00 C ATOM 1618 CD2 LEU A 103 9.678 -0.599 -6.387 1.00 0.00 C ATOM 0 H LEU A 103 11.467 1.254 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 103 13.191 -0.278 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.641 1.228 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.729 1.157 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 103 11.668 -1.279 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.116 -2.523 -4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 103 11.392 -1.706 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.749 -1.025 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.294 -1.587 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.901 -0.027 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.975 -0.080 -7.298 1.00 0.00 H new ATOM 1630 N CYS A 104 14.608 1.310 -5.211 1.00 0.00 N ATOM 1631 CA CYS A 104 15.677 2.109 -5.741 1.00 0.00 C ATOM 1632 C CYS A 104 15.202 2.884 -6.967 1.00 0.00 C ATOM 1633 O CYS A 104 15.363 4.095 -7.047 1.00 0.00 O ATOM 1634 CB CYS A 104 16.793 1.128 -6.129 1.00 0.00 C ATOM 1635 SG CYS A 104 18.190 1.779 -7.051 1.00 0.00 S ATOM 0 H CYS A 104 14.701 0.324 -5.456 1.00 0.00 H new ATOM 0 HA CYS A 104 16.026 2.839 -5.011 1.00 0.00 H new ATOM 0 HB2 CYS A 104 17.176 0.676 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 104 16.346 0.327 -6.718 1.00 0.00 H new ATOM 0 HG CYS A 104 18.194 1.272 -8.248 1.00 0.00 H new ATOM 1641 N LEU A 105 14.552 2.148 -7.883 1.00 0.00 N ATOM 1642 CA LEU A 105 14.153 2.643 -9.206 1.00 0.00 C ATOM 1643 C LEU A 105 15.426 2.928 -10.013 1.00 0.00 C ATOM 1644 O LEU A 105 16.044 3.990 -9.884 1.00 0.00 O ATOM 1645 CB LEU A 105 13.182 3.874 -9.113 1.00 0.00 C ATOM 1646 CG LEU A 105 12.420 4.356 -10.395 1.00 0.00 C ATOM 1647 CD1 LEU A 105 13.335 4.947 -11.459 1.00 0.00 C ATOM 1648 CD2 LEU A 105 11.582 3.237 -10.981 1.00 0.00 C ATOM 0 H LEU A 105 14.286 1.177 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 105 13.572 1.883 -9.728 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.433 3.642 -8.356 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.761 4.719 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 105 11.765 5.163 -10.067 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.740 5.259 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 105 13.861 5.809 -11.049 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.060 4.196 -11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.064 3.598 -11.869 1.00 0.00 H new ATOM 0 HD22 LEU A 105 12.228 2.402 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.851 2.906 -10.244 1.00 0.00 H new ATOM 1660 N LYS A 106 15.829 1.933 -10.798 1.00 0.00 N ATOM 1661 CA LYS A 106 17.049 1.975 -11.606 1.00 0.00 C ATOM 1662 C LYS A 106 18.322 2.084 -10.762 1.00 0.00 C ATOM 1663 O LYS A 106 18.802 1.079 -10.225 1.00 0.00 O ATOM 1664 CB LYS A 106 16.986 3.040 -12.721 1.00 0.00 C ATOM 1665 CG LYS A 106 15.957 2.739 -13.800 1.00 0.00 C ATOM 1666 CD LYS A 106 16.354 1.504 -14.585 1.00 0.00 C ATOM 1667 CE LYS A 106 15.301 1.107 -15.589 1.00 0.00 C ATOM 1668 NZ LYS A 106 15.750 -0.039 -16.389 1.00 0.00 N ATOM 0 H LYS A 106 15.310 1.060 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 106 17.106 1.009 -12.108 1.00 0.00 H new ATOM 0 HB2 LYS A 106 16.758 4.008 -12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 106 17.969 3.127 -13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.978 2.588 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 106 15.868 3.592 -14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 106 17.295 1.691 -15.102 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.527 0.677 -13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 106 14.375 0.855 -15.072 1.00 0.00 H new ATOM 0 HE3 LYS A 106 15.081 1.950 -16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.928 -0.496 -16.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.405 0.288 -17.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 16.236 -0.723 -15.774 1.00 0.00 H new ATOM 1682 N GLY A 107 18.812 3.277 -10.566 1.00 0.00 N ATOM 1683 CA GLY A 107 20.044 3.437 -9.857 1.00 0.00 C ATOM 1684 C GLY A 107 20.014 4.586 -8.916 1.00 0.00 C ATOM 1685 O GLY A 107 20.694 5.578 -9.118 1.00 0.00 O ATOM 0 H GLY A 107 18.379 4.144 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 107 20.262 2.524 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 107 20.855 3.578 -10.572 1.00 0.00 H new ATOM 1689 N GLU A 108 19.218 4.460 -7.908 1.00 0.00 N ATOM 1690 CA GLU A 108 19.096 5.449 -6.881 1.00 0.00 C ATOM 1691 C GLU A 108 19.293 4.732 -5.544 1.00 0.00 C ATOM 1692 O GLU A 108 18.410 4.709 -4.671 1.00 0.00 O ATOM 1693 CB GLU A 108 17.715 6.123 -6.973 1.00 0.00 C ATOM 1694 CG GLU A 108 17.500 7.346 -6.080 1.00 0.00 C ATOM 1695 CD GLU A 108 18.431 8.485 -6.412 1.00 0.00 C ATOM 1696 OE1 GLU A 108 18.529 8.867 -7.594 1.00 0.00 O ATOM 1697 OE2 GLU A 108 19.102 9.010 -5.500 1.00 0.00 O ATOM 0 H GLU A 108 18.618 3.647 -7.769 1.00 0.00 H new ATOM 0 HA GLU A 108 19.842 6.237 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 108 17.547 6.421 -8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.955 5.381 -6.727 1.00 0.00 H new ATOM 0 HG2 GLU A 108 16.469 7.685 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 108 17.642 7.059 -5.038 1.00 0.00 H new ATOM 1704 N ARG A 109 20.438 4.064 -5.420 1.00 0.00 N ATOM 1705 CA ARG A 109 20.798 3.386 -4.185 1.00 0.00 C ATOM 1706 C ARG A 109 21.236 4.441 -3.207 1.00 0.00 C ATOM 1707 O ARG A 109 22.412 4.771 -3.085 1.00 0.00 O ATOM 1708 CB ARG A 109 21.895 2.339 -4.407 1.00 0.00 C ATOM 1709 CG ARG A 109 21.514 1.271 -5.415 1.00 0.00 C ATOM 1710 CD ARG A 109 22.606 0.234 -5.578 1.00 0.00 C ATOM 1711 NE ARG A 109 22.312 -0.694 -6.673 1.00 0.00 N ATOM 1712 CZ ARG A 109 22.649 -1.993 -6.716 1.00 0.00 C ATOM 1713 NH1 ARG A 109 23.191 -2.590 -5.654 1.00 0.00 N ATOM 1714 NH2 ARG A 109 22.420 -2.702 -7.824 1.00 0.00 N ATOM 0 H ARG A 109 21.131 3.980 -6.164 1.00 0.00 H new ATOM 0 HA ARG A 109 19.940 2.838 -3.796 1.00 0.00 H new ATOM 0 HB2 ARG A 109 22.802 2.840 -4.745 1.00 0.00 H new ATOM 0 HB3 ARG A 109 22.130 1.862 -3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 109 20.594 0.782 -5.096 1.00 0.00 H new ATOM 0 HG3 ARG A 109 21.309 1.738 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 109 23.556 0.733 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 109 22.720 -0.324 -4.649 1.00 0.00 H new ATOM 0 HE ARG A 109 21.806 -0.319 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 109 23.353 -2.059 -4.798 1.00 0.00 H new ATOM 0 HH12 ARG A 109 23.443 -3.577 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 109 21.990 -2.257 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 109 22.675 -3.689 -7.860 1.00 0.00 H new ATOM 1728 N HIS A 110 20.261 5.028 -2.592 1.00 0.00 N ATOM 1729 CA HIS A 110 20.450 6.207 -1.803 1.00 0.00 C ATOM 1730 C HIS A 110 19.787 6.014 -0.444 1.00 0.00 C ATOM 1731 O HIS A 110 19.699 6.937 0.358 1.00 0.00 O ATOM 1732 CB HIS A 110 19.753 7.331 -2.603 1.00 0.00 C ATOM 1733 CG HIS A 110 20.014 8.758 -2.222 1.00 0.00 C ATOM 1734 ND1 HIS A 110 19.620 9.792 -3.019 1.00 0.00 N ATOM 1735 CD2 HIS A 110 20.579 9.324 -1.141 1.00 0.00 C ATOM 1736 CE1 HIS A 110 19.923 10.926 -2.446 1.00 0.00 C ATOM 1737 NE2 HIS A 110 20.503 10.671 -1.307 1.00 0.00 N ATOM 0 H HIS A 110 19.296 4.699 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 110 21.500 6.437 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.032 7.213 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.678 7.164 -2.539 1.00 0.00 H new ATOM 0 HD1 HIS A 110 19.159 9.695 -3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.012 8.805 -0.298 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.726 11.909 -2.848 1.00 0.00 H new ATOM 1746 N PHE A 111 19.356 4.811 -0.161 1.00 0.00 N ATOM 1747 CA PHE A 111 18.608 4.588 1.049 1.00 0.00 C ATOM 1748 C PHE A 111 19.230 3.464 1.852 1.00 0.00 C ATOM 1749 O PHE A 111 19.194 2.319 1.429 1.00 0.00 O ATOM 1750 CB PHE A 111 17.141 4.200 0.738 1.00 0.00 C ATOM 1751 CG PHE A 111 16.503 4.930 -0.413 1.00 0.00 C ATOM 1752 CD1 PHE A 111 16.340 6.307 -0.386 1.00 0.00 C ATOM 1753 CD2 PHE A 111 16.068 4.223 -1.534 1.00 0.00 C ATOM 1754 CE1 PHE A 111 15.767 6.971 -1.451 1.00 0.00 C ATOM 1755 CE2 PHE A 111 15.493 4.886 -2.598 1.00 0.00 C ATOM 1756 CZ PHE A 111 15.344 6.260 -2.558 1.00 0.00 C ATOM 0 H PHE A 111 19.506 3.985 -0.740 1.00 0.00 H new ATOM 0 HA PHE A 111 18.627 5.518 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.103 3.130 0.532 1.00 0.00 H new ATOM 0 HB3 PHE A 111 16.541 4.373 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 111 16.665 6.866 0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 111 16.182 3.150 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 111 15.649 8.044 -1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.159 4.332 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 111 14.896 6.778 -3.393 1.00 0.00 H new ATOM 1766 N ALA A 112 19.833 3.790 2.972 1.00 0.00 N ATOM 1767 CA ALA A 112 20.273 2.763 3.908 1.00 0.00 C ATOM 1768 C ALA A 112 19.012 2.259 4.589 1.00 0.00 C ATOM 1769 O ALA A 112 18.822 1.068 4.829 1.00 0.00 O ATOM 1770 CB ALA A 112 21.257 3.336 4.921 1.00 0.00 C ATOM 0 H ALA A 112 20.032 4.747 3.262 1.00 0.00 H new ATOM 0 HA ALA A 112 20.798 1.954 3.400 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.571 2.550 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 112 22.129 3.730 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 112 20.777 4.138 5.482 1.00 0.00 H new ATOM 1776 N GLU A 113 18.141 3.209 4.853 1.00 0.00 N ATOM 1777 CA GLU A 113 16.794 2.969 5.315 1.00 0.00 C ATOM 1778 C GLU A 113 15.918 3.926 4.549 1.00 0.00 C ATOM 1779 O GLU A 113 15.063 3.538 3.762 1.00 0.00 O ATOM 1780 CB GLU A 113 16.610 3.257 6.812 1.00 0.00 C ATOM 1781 CG GLU A 113 17.417 2.415 7.767 1.00 0.00 C ATOM 1782 CD GLU A 113 17.002 2.691 9.187 1.00 0.00 C ATOM 1783 OE1 GLU A 113 17.502 3.657 9.793 1.00 0.00 O ATOM 1784 OE2 GLU A 113 16.126 1.974 9.703 1.00 0.00 O ATOM 0 H GLU A 113 18.359 4.200 4.748 1.00 0.00 H new ATOM 0 HA GLU A 113 16.548 1.919 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 113 16.856 4.304 6.990 1.00 0.00 H new ATOM 0 HB3 GLU A 113 15.555 3.132 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.276 1.358 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.479 2.629 7.643 1.00 0.00 H new ATOM 1791 N SER A 114 16.203 5.175 4.779 1.00 0.00 N ATOM 1792 CA SER A 114 15.573 6.313 4.215 1.00 0.00 C ATOM 1793 C SER A 114 16.337 7.450 4.855 1.00 0.00 C ATOM 1794 O SER A 114 16.837 7.268 5.976 1.00 0.00 O ATOM 1795 CB SER A 114 14.082 6.336 4.629 1.00 0.00 C ATOM 1796 OG SER A 114 13.363 7.421 4.053 1.00 0.00 O ATOM 0 H SER A 114 16.949 5.436 5.424 1.00 0.00 H new ATOM 0 HA SER A 114 15.587 6.349 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 114 13.613 5.398 4.332 1.00 0.00 H new ATOM 0 HB3 SER A 114 14.013 6.397 5.715 1.00 0.00 H new ATOM 0 HG SER A 114 12.428 7.386 4.346 1.00 0.00 H new ATOM 1802 N GLU A 115 16.511 8.556 4.178 1.00 0.00 N ATOM 1803 CA GLU A 115 17.271 9.638 4.772 1.00 0.00 C ATOM 1804 C GLU A 115 16.419 10.418 5.734 1.00 0.00 C ATOM 1805 O GLU A 115 15.188 10.435 5.611 1.00 0.00 O ATOM 1806 CB GLU A 115 17.845 10.590 3.723 1.00 0.00 C ATOM 1807 CG GLU A 115 18.855 9.969 2.782 1.00 0.00 C ATOM 1808 CD GLU A 115 19.420 10.980 1.820 1.00 0.00 C ATOM 1809 OE1 GLU A 115 18.791 11.236 0.789 1.00 0.00 O ATOM 1810 OE2 GLU A 115 20.514 11.533 2.080 1.00 0.00 O ATOM 0 H GLU A 115 16.150 8.734 3.241 1.00 0.00 H new ATOM 0 HA GLU A 115 18.104 9.178 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 115 17.023 10.996 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 115 18.315 11.430 4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 115 19.665 9.525 3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 115 18.382 9.161 2.224 1.00 0.00 H new ATOM 1817 N THR A 116 17.068 11.023 6.701 1.00 0.00 N ATOM 1818 CA THR A 116 16.431 11.903 7.633 1.00 0.00 C ATOM 1819 C THR A 116 15.841 13.096 6.854 1.00 0.00 C ATOM 1820 O THR A 116 16.582 13.905 6.271 1.00 0.00 O ATOM 1821 CB THR A 116 17.486 12.393 8.653 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.094 11.249 9.297 1.00 0.00 O ATOM 1823 CG2 THR A 116 16.880 13.302 9.712 1.00 0.00 C ATOM 0 H THR A 116 18.069 10.911 6.859 1.00 0.00 H new ATOM 0 HA THR A 116 15.630 11.392 8.167 1.00 0.00 H new ATOM 0 HB THR A 116 18.233 12.970 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.764 11.555 9.943 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.658 13.621 10.406 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.440 14.177 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 116 16.107 12.760 10.257 1.00 0.00 H new ATOM 1831 N LEU A 117 14.532 13.143 6.765 1.00 0.00 N ATOM 1832 CA LEU A 117 13.855 14.196 6.051 1.00 0.00 C ATOM 1833 C LEU A 117 12.819 14.874 6.931 1.00 0.00 C ATOM 1834 O LEU A 117 12.092 14.209 7.681 1.00 0.00 O ATOM 1835 CB LEU A 117 13.280 13.670 4.703 1.00 0.00 C ATOM 1836 CG LEU A 117 12.371 12.410 4.724 1.00 0.00 C ATOM 1837 CD1 LEU A 117 10.942 12.718 5.156 1.00 0.00 C ATOM 1838 CD2 LEU A 117 12.392 11.709 3.373 1.00 0.00 C ATOM 0 H LEU A 117 13.909 12.453 7.185 1.00 0.00 H new ATOM 0 HA LEU A 117 14.578 14.969 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.712 14.481 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.122 13.460 4.043 1.00 0.00 H new ATOM 0 HG LEU A 117 12.783 11.737 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.355 11.800 5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.949 13.140 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.499 13.435 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.749 10.830 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 117 12.031 12.391 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.411 11.404 3.137 1.00 0.00 H new ATOM 1850 N ASP A 118 12.801 16.183 6.890 1.00 0.00 N ATOM 1851 CA ASP A 118 11.887 16.987 7.684 1.00 0.00 C ATOM 1852 C ASP A 118 11.462 18.186 6.884 1.00 0.00 C ATOM 1853 O ASP A 118 12.209 19.181 6.849 1.00 0.00 O ATOM 1854 CB ASP A 118 12.525 17.454 9.010 1.00 0.00 C ATOM 1855 CG ASP A 118 12.765 16.341 9.999 1.00 0.00 C ATOM 1856 OD1 ASP A 118 11.823 15.973 10.732 1.00 0.00 O ATOM 1857 OD2 ASP A 118 13.902 15.810 10.076 1.00 0.00 O ATOM 1858 OXT ASP A 118 10.383 18.139 6.251 1.00 0.00 O ATOM 0 H ASP A 118 13.425 16.733 6.300 1.00 0.00 H new ATOM 0 HA ASP A 118 11.026 16.367 7.933 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.474 17.944 8.792 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.878 18.202 9.469 1.00 0.00 H new TER 1863 ASP A 118