USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 740 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.314 USER MOD Single : A 6 SER OG : rot 47:sc= 1.29 USER MOD Single : A 9 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.4!) USER MOD Single : A 10 GLN : amide:sc=-0.00196 K(o=-0.002,f=-0.79) USER MOD Single : A 11 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.9!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 164:sc= -0.0311 (180deg=-0.494) USER MOD Single : A 29 SER OG : rot -44:sc= 1.05 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.326 USER MOD Single : A 32 MET CE :methyl -177:sc= -1.91 (180deg=-1.99) USER MOD Single : A 33 CYS SG : rot -80:sc= 0.0217 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 43:sc= -2.35 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -139:sc= -1.22 USER MOD Single : A 53 HIS : no HD1:sc= -2.02 K(o=-2,f=-3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.83) USER MOD Single : A 59 THR OG1 : rot -170:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0297 X(o=-0.03,f=0.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.992 USER MOD Single : A 69 MET CE :methyl 141:sc= -3.11! (180deg=-4.99!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0148 F(o=-1.7,f=-0.015) USER MOD Single : A 75 ASN : amide:sc= -2.48 K(o=-2.5,f=-3.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0417 K(o=-0.042,f=-1) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 92 GLN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.286 19.509 12.400 1.00 0.00 N ATOM 2 CA GLY A 1 -19.888 20.828 11.836 1.00 0.00 C ATOM 3 C GLY A 1 -19.070 20.693 10.567 1.00 0.00 C ATOM 4 O GLY A 1 -19.323 21.383 9.580 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.843 19.656 13.266 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.859 18.992 11.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.434 18.957 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.782 21.415 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.311 21.379 12.579 1.00 0.00 H new ATOM 10 N SER A 2 -18.086 19.800 10.593 1.00 0.00 N ATOM 11 CA SER A 2 -17.226 19.576 9.437 1.00 0.00 C ATOM 12 C SER A 2 -16.691 18.148 9.426 1.00 0.00 C ATOM 13 O SER A 2 -16.387 17.580 10.476 1.00 0.00 O ATOM 14 CB SER A 2 -16.062 20.569 9.440 1.00 0.00 C ATOM 15 OG SER A 2 -15.503 20.694 10.735 1.00 0.00 O ATOM 0 H SER A 2 -17.864 19.220 11.402 1.00 0.00 H new ATOM 0 HA SER A 2 -17.822 19.729 8.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.295 20.238 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.409 21.543 9.095 1.00 0.00 H new ATOM 0 HG SER A 2 -14.760 21.333 10.710 1.00 0.00 H new ATOM 21 N SER A 3 -16.578 17.573 8.234 1.00 0.00 N ATOM 22 CA SER A 3 -16.079 16.211 8.087 1.00 0.00 C ATOM 23 C SER A 3 -14.558 16.197 7.973 1.00 0.00 C ATOM 24 O SER A 3 -13.967 17.055 7.319 1.00 0.00 O ATOM 25 CB SER A 3 -16.700 15.547 6.855 1.00 0.00 C ATOM 26 OG SER A 3 -18.097 15.780 6.801 1.00 0.00 O ATOM 0 H SER A 3 -16.825 18.029 7.356 1.00 0.00 H new ATOM 0 HA SER A 3 -16.364 15.649 8.977 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.228 15.935 5.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.508 14.474 6.880 1.00 0.00 H new ATOM 0 HG SER A 3 -18.470 15.348 6.005 1.00 0.00 H new ATOM 32 N GLY A 4 -13.932 15.218 8.616 1.00 0.00 N ATOM 33 CA GLY A 4 -12.484 15.111 8.575 1.00 0.00 C ATOM 34 C GLY A 4 -11.976 13.855 9.255 1.00 0.00 C ATOM 35 O GLY A 4 -11.974 12.776 8.661 1.00 0.00 O ATOM 0 H GLY A 4 -14.400 14.497 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.151 15.118 7.537 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.044 15.984 9.057 1.00 0.00 H new ATOM 39 N SER A 5 -11.544 13.995 10.504 1.00 0.00 N ATOM 40 CA SER A 5 -11.030 12.862 11.266 1.00 0.00 C ATOM 41 C SER A 5 -11.209 13.090 12.764 1.00 0.00 C ATOM 42 O SER A 5 -10.985 14.192 13.266 1.00 0.00 O ATOM 43 CB SER A 5 -9.552 12.633 10.945 1.00 0.00 C ATOM 44 OG SER A 5 -9.270 12.943 9.592 1.00 0.00 O ATOM 0 H SER A 5 -11.539 14.881 11.010 1.00 0.00 H new ATOM 0 HA SER A 5 -11.597 11.976 10.981 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.935 13.249 11.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.290 11.594 11.146 1.00 0.00 H new ATOM 0 HG SER A 5 -8.319 12.790 9.413 1.00 0.00 H new ATOM 50 N SER A 6 -11.611 12.040 13.473 1.00 0.00 N ATOM 51 CA SER A 6 -11.819 12.126 14.913 1.00 0.00 C ATOM 52 C SER A 6 -12.026 10.741 15.517 1.00 0.00 C ATOM 53 O SER A 6 -11.151 10.216 16.207 1.00 0.00 O ATOM 54 CB SER A 6 -13.025 13.014 15.224 1.00 0.00 C ATOM 55 OG SER A 6 -12.644 14.376 15.321 1.00 0.00 O ATOM 0 H SER A 6 -11.799 11.120 13.074 1.00 0.00 H new ATOM 0 HA SER A 6 -10.927 12.567 15.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.777 12.898 14.443 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.485 12.694 16.159 1.00 0.00 H new ATOM 0 HG SER A 6 -12.075 14.612 14.559 1.00 0.00 H new ATOM 61 N GLY A 7 -13.188 10.153 15.253 1.00 0.00 N ATOM 62 CA GLY A 7 -13.488 8.834 15.778 1.00 0.00 C ATOM 63 C GLY A 7 -13.157 7.729 14.793 1.00 0.00 C ATOM 64 O GLY A 7 -13.589 7.766 13.641 1.00 0.00 O ATOM 0 H GLY A 7 -13.927 10.566 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.926 8.676 16.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.545 8.781 16.037 1.00 0.00 H new ATOM 68 N LEU A 8 -12.389 6.745 15.248 1.00 0.00 N ATOM 69 CA LEU A 8 -12.001 5.625 14.399 1.00 0.00 C ATOM 70 C LEU A 8 -11.212 6.109 13.186 1.00 0.00 C ATOM 71 O LEU A 8 -11.777 6.343 12.119 1.00 0.00 O ATOM 72 CB LEU A 8 -13.239 4.850 13.942 1.00 0.00 C ATOM 73 CG LEU A 8 -13.065 3.331 13.875 1.00 0.00 C ATOM 74 CD1 LEU A 8 -12.096 2.954 12.766 1.00 0.00 C ATOM 75 CD2 LEU A 8 -12.583 2.792 15.214 1.00 0.00 C ATOM 0 H LEU A 8 -12.023 6.700 16.199 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.363 4.963 14.984 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.061 5.076 14.621 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.531 5.211 12.956 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.033 2.882 13.651 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.984 1.870 12.733 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.481 3.308 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.126 3.413 12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.464 1.710 15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.625 3.248 15.466 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.313 3.031 15.987 1.00 0.00 H new ATOM 87 N GLN A 9 -9.902 6.257 13.360 1.00 0.00 N ATOM 88 CA GLN A 9 -9.035 6.712 12.280 1.00 0.00 C ATOM 89 C GLN A 9 -7.574 6.707 12.716 1.00 0.00 C ATOM 90 O GLN A 9 -7.246 7.129 13.824 1.00 0.00 O ATOM 91 CB GLN A 9 -9.440 8.117 11.831 1.00 0.00 C ATOM 92 CG GLN A 9 -8.947 8.476 10.438 1.00 0.00 C ATOM 93 CD GLN A 9 -10.081 8.699 9.457 1.00 0.00 C ATOM 94 OE1 GLN A 9 -11.194 8.213 9.654 1.00 0.00 O ATOM 95 NE2 GLN A 9 -9.802 9.439 8.389 1.00 0.00 N ATOM 0 H GLN A 9 -9.419 6.068 14.238 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.148 6.023 11.443 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.527 8.198 11.855 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.050 8.844 12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.337 9.378 10.494 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.303 7.678 10.068 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.865 9.823 8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.525 9.623 7.693 1.00 0.00 H new ATOM 104 N GLN A 10 -6.701 6.227 11.836 1.00 0.00 N ATOM 105 CA GLN A 10 -5.274 6.167 12.131 1.00 0.00 C ATOM 106 C GLN A 10 -4.535 7.334 11.485 1.00 0.00 C ATOM 107 O GLN A 10 -3.402 7.187 11.026 1.00 0.00 O ATOM 108 CB GLN A 10 -4.687 4.839 11.646 1.00 0.00 C ATOM 109 CG GLN A 10 -3.832 4.136 12.685 1.00 0.00 C ATOM 110 CD GLN A 10 -4.659 3.481 13.774 1.00 0.00 C ATOM 111 OE1 GLN A 10 -5.143 4.147 14.689 1.00 0.00 O ATOM 112 NE2 GLN A 10 -4.825 2.166 13.680 1.00 0.00 N ATOM 0 H GLN A 10 -6.957 5.874 10.914 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.147 6.237 13.211 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.502 4.178 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.085 5.021 10.756 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.219 3.380 12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.149 4.856 13.136 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.406 1.653 12.904 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.372 1.669 14.383 1.00 0.00 H new ATOM 121 N GLN A 11 -5.185 8.493 11.451 1.00 0.00 N ATOM 122 CA GLN A 11 -4.590 9.686 10.860 1.00 0.00 C ATOM 123 C GLN A 11 -4.146 10.665 11.941 1.00 0.00 C ATOM 124 O GLN A 11 -4.911 11.534 12.358 1.00 0.00 O ATOM 125 CB GLN A 11 -5.585 10.365 9.917 1.00 0.00 C ATOM 126 CG GLN A 11 -4.935 10.986 8.691 1.00 0.00 C ATOM 127 CD GLN A 11 -4.976 12.501 8.713 1.00 0.00 C ATOM 128 OE1 GLN A 11 -5.255 13.112 9.745 1.00 0.00 O ATOM 129 NE2 GLN A 11 -4.697 13.117 7.570 1.00 0.00 N ATOM 0 H GLN A 11 -6.124 8.631 11.826 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.713 9.380 10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.325 9.632 9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.122 11.139 10.465 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.898 10.655 8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.440 10.626 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.471 12.571 6.738 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.709 14.136 7.524 1.00 0.00 H new ATOM 138 N GLU A 12 -2.903 10.518 12.391 1.00 0.00 N ATOM 139 CA GLU A 12 -2.357 11.391 13.425 1.00 0.00 C ATOM 140 C GLU A 12 -1.026 11.991 12.984 1.00 0.00 C ATOM 141 O GLU A 12 0.006 11.319 13.003 1.00 0.00 O ATOM 142 CB GLU A 12 -2.173 10.616 14.730 1.00 0.00 C ATOM 143 CG GLU A 12 -3.475 10.100 15.322 1.00 0.00 C ATOM 144 CD GLU A 12 -3.258 8.983 16.323 1.00 0.00 C ATOM 145 OE1 GLU A 12 -2.166 8.931 16.927 1.00 0.00 O ATOM 146 OE2 GLU A 12 -4.181 8.161 16.505 1.00 0.00 O ATOM 0 H GLU A 12 -2.256 9.804 12.056 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.064 12.204 13.590 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.506 9.773 14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.683 11.261 15.459 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.999 10.922 15.809 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.119 9.743 14.518 1.00 0.00 H new ATOM 153 N GLU A 13 -1.056 13.258 12.587 1.00 0.00 N ATOM 154 CA GLU A 13 0.148 13.948 12.141 1.00 0.00 C ATOM 155 C GLU A 13 0.754 13.257 10.923 1.00 0.00 C ATOM 156 O GLU A 13 1.973 13.116 10.818 1.00 0.00 O ATOM 157 CB GLU A 13 1.175 14.009 13.273 1.00 0.00 C ATOM 158 CG GLU A 13 2.275 15.033 13.043 1.00 0.00 C ATOM 159 CD GLU A 13 2.852 15.569 14.338 1.00 0.00 C ATOM 160 OE1 GLU A 13 2.264 16.513 14.905 1.00 0.00 O ATOM 161 OE2 GLU A 13 3.893 15.043 14.786 1.00 0.00 O ATOM 0 H GLU A 13 -1.901 13.828 12.565 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.130 14.963 11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.662 14.243 14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.627 13.025 13.396 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.072 14.578 12.455 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.878 15.861 12.456 1.00 0.00 H new ATOM 168 N GLU A 14 -0.105 12.825 10.006 1.00 0.00 N ATOM 169 CA GLU A 14 0.345 12.148 8.796 1.00 0.00 C ATOM 170 C GLU A 14 0.735 13.158 7.720 1.00 0.00 C ATOM 171 O GLU A 14 -0.091 13.956 7.276 1.00 0.00 O ATOM 172 CB GLU A 14 -0.749 11.215 8.271 1.00 0.00 C ATOM 173 CG GLU A 14 -0.364 9.745 8.309 1.00 0.00 C ATOM 174 CD GLU A 14 -1.465 8.867 8.871 1.00 0.00 C ATOM 175 OE1 GLU A 14 -2.582 8.885 8.312 1.00 0.00 O ATOM 176 OE2 GLU A 14 -1.210 8.162 9.870 1.00 0.00 O ATOM 0 H GLU A 14 -1.117 12.932 10.078 1.00 0.00 H new ATOM 0 HA GLU A 14 1.225 11.556 9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.653 11.361 8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.990 11.493 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.118 9.412 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.535 9.624 8.913 1.00 0.00 H new ATOM 183 N THR A 15 1.997 13.118 7.305 1.00 0.00 N ATOM 184 CA THR A 15 2.495 14.028 6.282 1.00 0.00 C ATOM 185 C THR A 15 3.461 13.315 5.341 1.00 0.00 C ATOM 186 O THR A 15 4.679 13.447 5.470 1.00 0.00 O ATOM 187 CB THR A 15 3.188 15.227 6.930 1.00 0.00 C ATOM 188 OG1 THR A 15 3.853 16.010 5.955 1.00 0.00 O ATOM 189 CG2 THR A 15 4.207 14.835 7.978 1.00 0.00 C ATOM 0 H THR A 15 2.693 12.464 7.662 1.00 0.00 H new ATOM 0 HA THR A 15 1.643 14.380 5.700 1.00 0.00 H new ATOM 0 HB THR A 15 2.392 15.793 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.289 16.773 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.661 15.733 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.715 14.272 8.771 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.980 14.217 7.521 1.00 0.00 H new ATOM 197 N TYR A 16 2.910 12.560 4.396 1.00 0.00 N ATOM 198 CA TYR A 16 3.724 11.826 3.434 1.00 0.00 C ATOM 199 C TYR A 16 3.498 12.350 2.019 1.00 0.00 C ATOM 200 O TYR A 16 2.682 11.813 1.270 1.00 0.00 O ATOM 201 CB TYR A 16 3.400 10.332 3.493 1.00 0.00 C ATOM 202 CG TYR A 16 3.547 9.734 4.874 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.804 9.510 5.424 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.431 9.393 5.628 1.00 0.00 C ATOM 205 CE1 TYR A 16 4.943 8.962 6.686 1.00 0.00 C ATOM 206 CE2 TYR A 16 2.561 8.846 6.889 1.00 0.00 C ATOM 207 CZ TYR A 16 3.820 8.633 7.414 1.00 0.00 C ATOM 208 OH TYR A 16 3.953 8.087 8.670 1.00 0.00 O ATOM 0 H TYR A 16 1.904 12.441 4.276 1.00 0.00 H new ATOM 0 HA TYR A 16 4.772 11.974 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.379 10.176 3.146 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.055 9.799 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.686 9.768 4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.445 9.559 5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.926 8.793 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.683 8.586 7.461 1.00 0.00 H new ATOM 0 HH TYR A 16 3.065 7.914 9.047 1.00 0.00 H new ATOM 218 N ALA A 17 4.225 13.402 1.660 1.00 0.00 N ATOM 219 CA ALA A 17 4.105 13.999 0.336 1.00 0.00 C ATOM 220 C ALA A 17 5.301 13.639 -0.538 1.00 0.00 C ATOM 221 O ALA A 17 5.712 14.420 -1.398 1.00 0.00 O ATOM 222 CB ALA A 17 3.964 15.509 0.447 1.00 0.00 C ATOM 0 H ALA A 17 4.904 13.859 2.268 1.00 0.00 H new ATOM 0 HA ALA A 17 3.209 13.597 -0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.875 15.940 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.073 15.750 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.842 15.921 0.944 1.00 0.00 H new ATOM 228 N ASP A 18 5.857 12.453 -0.314 1.00 0.00 N ATOM 229 CA ASP A 18 7.006 11.988 -1.081 1.00 0.00 C ATOM 230 C ASP A 18 7.068 10.465 -1.101 1.00 0.00 C ATOM 231 O ASP A 18 8.149 9.878 -1.164 1.00 0.00 O ATOM 232 CB ASP A 18 8.300 12.555 -0.493 1.00 0.00 C ATOM 233 CG ASP A 18 8.298 14.071 -0.445 1.00 0.00 C ATOM 234 OD1 ASP A 18 7.853 14.632 0.578 1.00 0.00 O ATOM 235 OD2 ASP A 18 8.742 14.697 -1.431 1.00 0.00 O ATOM 0 H ASP A 18 5.530 11.796 0.394 1.00 0.00 H new ATOM 0 HA ASP A 18 6.894 12.342 -2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.441 12.163 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 18 9.147 12.214 -1.089 1.00 0.00 H new ATOM 240 N ALA A 19 5.902 9.829 -1.047 1.00 0.00 N ATOM 241 CA ALA A 19 5.825 8.374 -1.058 1.00 0.00 C ATOM 242 C ALA A 19 5.401 7.857 -2.428 1.00 0.00 C ATOM 243 O ALA A 19 4.950 8.623 -3.280 1.00 0.00 O ATOM 244 CB ALA A 19 4.858 7.888 0.013 1.00 0.00 C ATOM 0 H ALA A 19 4.998 10.299 -0.995 1.00 0.00 H new ATOM 0 HA ALA A 19 6.818 7.981 -0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.810 6.799 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.204 8.218 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.866 8.298 -0.179 1.00 0.00 H new ATOM 250 N CYS A 20 5.547 6.552 -2.635 1.00 0.00 N ATOM 251 CA CYS A 20 5.179 5.932 -3.902 1.00 0.00 C ATOM 252 C CYS A 20 3.694 5.579 -3.923 1.00 0.00 C ATOM 253 O CYS A 20 2.994 5.738 -2.924 1.00 0.00 O ATOM 254 CB CYS A 20 6.018 4.675 -4.140 1.00 0.00 C ATOM 255 SG CYS A 20 7.463 4.944 -5.195 1.00 0.00 S ATOM 0 H CYS A 20 5.918 5.903 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 20 5.375 6.648 -4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.351 4.285 -3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.387 3.910 -4.593 1.00 0.00 H new ATOM 0 HG CYS A 20 8.111 3.826 -5.337 1.00 0.00 H new ATOM 261 N ASP A 21 3.223 5.100 -5.070 1.00 0.00 N ATOM 262 CA ASP A 21 1.822 4.723 -5.222 1.00 0.00 C ATOM 263 C ASP A 21 1.547 3.376 -4.563 1.00 0.00 C ATOM 264 O ASP A 21 0.451 3.132 -4.058 1.00 0.00 O ATOM 265 CB ASP A 21 1.447 4.666 -6.705 1.00 0.00 C ATOM 266 CG ASP A 21 1.532 6.023 -7.376 1.00 0.00 C ATOM 267 OD1 ASP A 21 0.662 6.876 -7.102 1.00 0.00 O ATOM 268 OD2 ASP A 21 2.470 6.231 -8.174 1.00 0.00 O ATOM 0 H ASP A 21 3.790 4.964 -5.907 1.00 0.00 H new ATOM 0 HA ASP A 21 1.211 5.479 -4.728 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.109 3.968 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.434 4.277 -6.806 1.00 0.00 H new ATOM 273 N GLU A 22 2.549 2.503 -4.572 1.00 0.00 N ATOM 274 CA GLU A 22 2.416 1.179 -3.976 1.00 0.00 C ATOM 275 C GLU A 22 2.182 1.278 -2.471 1.00 0.00 C ATOM 276 O GLU A 22 1.563 0.399 -1.871 1.00 0.00 O ATOM 277 CB GLU A 22 3.666 0.342 -4.257 1.00 0.00 C ATOM 278 CG GLU A 22 3.361 -1.029 -4.838 1.00 0.00 C ATOM 279 CD GLU A 22 4.599 -1.897 -4.966 1.00 0.00 C ATOM 280 OE1 GLU A 22 5.050 -2.440 -3.936 1.00 0.00 O ATOM 281 OE2 GLU A 22 5.115 -2.032 -6.094 1.00 0.00 O ATOM 0 H GLU A 22 3.463 2.689 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 22 1.552 0.691 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.309 0.886 -4.949 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.226 0.218 -3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.632 -1.534 -4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.902 -0.910 -5.820 1.00 0.00 H new ATOM 288 N PHE A 23 2.679 2.352 -1.866 1.00 0.00 N ATOM 289 CA PHE A 23 2.523 2.562 -0.432 1.00 0.00 C ATOM 290 C PHE A 23 1.212 3.279 -0.126 1.00 0.00 C ATOM 291 O PHE A 23 0.609 3.071 0.926 1.00 0.00 O ATOM 292 CB PHE A 23 3.699 3.372 0.117 1.00 0.00 C ATOM 293 CG PHE A 23 5.017 2.659 0.018 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.129 1.328 0.389 1.00 0.00 C ATOM 295 CD2 PHE A 23 6.144 3.319 -0.445 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.340 0.668 0.298 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.358 2.665 -0.537 1.00 0.00 C ATOM 298 CZ PHE A 23 7.456 1.337 -0.165 1.00 0.00 C ATOM 0 H PHE A 23 3.193 3.090 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 23 2.505 1.586 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.764 4.316 -0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.505 3.617 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.260 0.801 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.073 4.356 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.413 -0.370 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.229 3.191 -0.899 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.404 0.824 -0.236 1.00 0.00 H new ATOM 308 N LEU A 24 0.776 4.124 -1.055 1.00 0.00 N ATOM 309 CA LEU A 24 -0.463 4.872 -0.887 1.00 0.00 C ATOM 310 C LEU A 24 -1.675 3.952 -0.998 1.00 0.00 C ATOM 311 O LEU A 24 -1.679 3.009 -1.788 1.00 0.00 O ATOM 312 CB LEU A 24 -0.556 5.984 -1.932 1.00 0.00 C ATOM 313 CG LEU A 24 0.378 7.172 -1.700 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.488 8.019 -2.958 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.111 8.014 -0.530 1.00 0.00 C ATOM 0 H LEU A 24 1.263 4.307 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.457 5.316 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.341 5.559 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.583 6.349 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 24 1.369 6.788 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.157 8.860 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.884 7.412 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.498 8.394 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.566 8.855 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.112 8.388 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.137 7.403 0.372 1.00 0.00 H new ATOM 327 N ASP A 25 -2.701 4.236 -0.202 1.00 0.00 N ATOM 328 CA ASP A 25 -3.919 3.435 -0.211 1.00 0.00 C ATOM 329 C ASP A 25 -4.852 3.882 -1.335 1.00 0.00 C ATOM 330 O ASP A 25 -4.965 5.074 -1.620 1.00 0.00 O ATOM 331 CB ASP A 25 -4.635 3.544 1.137 1.00 0.00 C ATOM 332 CG ASP A 25 -5.224 2.222 1.588 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.464 1.382 2.111 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.447 2.028 1.418 1.00 0.00 O ATOM 0 H ASP A 25 -2.713 5.015 0.457 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.642 2.395 -0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.933 3.901 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.430 4.287 1.064 1.00 0.00 H new ATOM 339 N PRO A 26 -5.537 2.928 -1.992 1.00 0.00 N ATOM 340 CA PRO A 26 -6.461 3.238 -3.089 1.00 0.00 C ATOM 341 C PRO A 26 -7.723 3.941 -2.603 1.00 0.00 C ATOM 342 O PRO A 26 -8.351 4.694 -3.346 1.00 0.00 O ATOM 343 CB PRO A 26 -6.804 1.862 -3.664 1.00 0.00 C ATOM 344 CG PRO A 26 -6.598 0.916 -2.533 1.00 0.00 C ATOM 345 CD PRO A 26 -5.465 1.480 -1.722 1.00 0.00 C ATOM 0 HA PRO A 26 -6.017 3.920 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.832 1.829 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.161 1.615 -4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.502 0.826 -1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.357 -0.082 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.584 1.263 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.506 1.062 -2.027 1.00 0.00 H new ATOM 353 N ILE A 27 -8.090 3.691 -1.350 1.00 0.00 N ATOM 354 CA ILE A 27 -9.279 4.301 -0.766 1.00 0.00 C ATOM 355 C ILE A 27 -8.906 5.426 0.193 1.00 0.00 C ATOM 356 O ILE A 27 -9.352 6.563 0.035 1.00 0.00 O ATOM 357 CB ILE A 27 -10.131 3.262 -0.012 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.347 2.019 -0.878 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.466 3.867 0.397 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.995 0.871 -0.137 1.00 0.00 C ATOM 0 H ILE A 27 -7.581 3.071 -0.720 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.862 4.709 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.597 2.964 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.968 2.285 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.386 1.690 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.056 3.121 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.293 4.724 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.007 4.191 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.117 0.024 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.364 0.577 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.971 1.183 0.234 1.00 0.00 H new ATOM 372 N MET A 28 -8.090 5.101 1.190 1.00 0.00 N ATOM 373 CA MET A 28 -7.659 6.085 2.176 1.00 0.00 C ATOM 374 C MET A 28 -6.795 7.165 1.533 1.00 0.00 C ATOM 375 O MET A 28 -6.759 8.303 2.000 1.00 0.00 O ATOM 376 CB MET A 28 -6.882 5.400 3.303 1.00 0.00 C ATOM 377 CG MET A 28 -7.760 4.947 4.458 1.00 0.00 C ATOM 378 SD MET A 28 -7.876 6.180 5.768 1.00 0.00 S ATOM 379 CE MET A 28 -9.407 6.997 5.329 1.00 0.00 C ATOM 0 H MET A 28 -7.714 4.164 1.337 1.00 0.00 H new ATOM 0 HA MET A 28 -8.549 6.559 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.355 4.536 2.897 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.125 6.087 3.681 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.759 4.725 4.084 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.361 4.020 4.871 1.00 0.00 H new ATOM 0 HE1 MET A 28 -9.764 7.580 6.178 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.236 7.659 4.480 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.154 6.250 5.062 1.00 0.00 H new ATOM 389 N SER A 29 -6.100 6.803 0.458 1.00 0.00 N ATOM 390 CA SER A 29 -5.238 7.745 -0.245 1.00 0.00 C ATOM 391 C SER A 29 -4.122 8.245 0.667 1.00 0.00 C ATOM 392 O SER A 29 -3.663 9.380 0.537 1.00 0.00 O ATOM 393 CB SER A 29 -6.055 8.929 -0.767 1.00 0.00 C ATOM 394 OG SER A 29 -5.239 9.831 -1.494 1.00 0.00 O ATOM 0 H SER A 29 -6.118 5.866 0.056 1.00 0.00 H new ATOM 0 HA SER A 29 -4.788 7.224 -1.090 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.860 8.566 -1.406 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.522 9.449 0.069 1.00 0.00 H new ATOM 0 HG SER A 29 -4.399 9.975 -1.010 1.00 0.00 H new ATOM 400 N THR A 30 -3.691 7.391 1.590 1.00 0.00 N ATOM 401 CA THR A 30 -2.631 7.747 2.525 1.00 0.00 C ATOM 402 C THR A 30 -1.583 6.641 2.605 1.00 0.00 C ATOM 403 O THR A 30 -1.708 5.604 1.953 1.00 0.00 O ATOM 404 CB THR A 30 -3.214 8.014 3.913 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.994 6.914 4.350 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.088 9.247 3.968 1.00 0.00 C ATOM 0 H THR A 30 -4.060 6.448 1.710 1.00 0.00 H new ATOM 0 HA THR A 30 -2.149 8.654 2.161 1.00 0.00 H new ATOM 0 HB THR A 30 -2.353 8.170 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.357 7.103 5.240 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.469 9.378 4.981 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.502 10.121 3.685 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.924 9.132 3.278 1.00 0.00 H new ATOM 414 N LEU A 31 -0.549 6.869 3.409 1.00 0.00 N ATOM 415 CA LEU A 31 0.520 5.892 3.576 1.00 0.00 C ATOM 416 C LEU A 31 -0.010 4.608 4.207 1.00 0.00 C ATOM 417 O LEU A 31 -0.756 4.647 5.185 1.00 0.00 O ATOM 418 CB LEU A 31 1.641 6.475 4.439 1.00 0.00 C ATOM 419 CG LEU A 31 2.966 5.712 4.382 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.775 6.139 3.167 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.761 5.932 5.660 1.00 0.00 C ATOM 0 H LEU A 31 -0.429 7.722 3.955 1.00 0.00 H new ATOM 0 HA LEU A 31 0.918 5.652 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.819 7.505 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.302 6.507 5.474 1.00 0.00 H new ATOM 0 HG LEU A 31 2.749 4.648 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.714 5.586 3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.207 5.930 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.984 7.207 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.701 5.382 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.969 6.995 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.184 5.576 6.513 1.00 0.00 H new ATOM 433 N MET A 32 0.382 3.471 3.641 1.00 0.00 N ATOM 434 CA MET A 32 -0.054 2.175 4.148 1.00 0.00 C ATOM 435 C MET A 32 0.980 1.588 5.104 1.00 0.00 C ATOM 436 O MET A 32 2.183 1.657 4.851 1.00 0.00 O ATOM 437 CB MET A 32 -0.302 1.207 2.990 1.00 0.00 C ATOM 438 CG MET A 32 -1.569 1.510 2.206 1.00 0.00 C ATOM 439 SD MET A 32 -2.003 0.193 1.054 1.00 0.00 S ATOM 440 CE MET A 32 -0.708 0.372 -0.169 1.00 0.00 C ATOM 0 H MET A 32 1.000 3.421 2.831 1.00 0.00 H new ATOM 0 HA MET A 32 -0.985 2.322 4.695 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.551 1.238 2.312 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.361 0.192 3.382 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.394 1.666 2.901 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.437 2.441 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.870 -0.340 -0.978 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.723 1.386 -0.570 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.260 0.180 0.295 1.00 0.00 H new ATOM 450 N CYS A 33 0.502 1.010 6.201 1.00 0.00 N ATOM 451 CA CYS A 33 1.385 0.410 7.194 1.00 0.00 C ATOM 452 C CYS A 33 1.283 -1.112 7.163 1.00 0.00 C ATOM 453 O CYS A 33 2.287 -1.814 7.284 1.00 0.00 O ATOM 454 CB CYS A 33 1.039 0.926 8.592 1.00 0.00 C ATOM 455 SG CYS A 33 2.305 0.585 9.839 1.00 0.00 S ATOM 0 H CYS A 33 -0.491 0.944 6.425 1.00 0.00 H new ATOM 0 HA CYS A 33 2.409 0.694 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.876 2.002 8.540 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.099 0.476 8.911 1.00 0.00 H new ATOM 0 HG CYS A 33 2.194 -0.645 10.245 1.00 0.00 H new ATOM 461 N ASP A 34 0.065 -1.615 6.997 1.00 0.00 N ATOM 462 CA ASP A 34 -0.169 -3.054 6.948 1.00 0.00 C ATOM 463 C ASP A 34 -1.085 -3.416 5.782 1.00 0.00 C ATOM 464 O ASP A 34 -2.267 -3.705 5.976 1.00 0.00 O ATOM 465 CB ASP A 34 -0.781 -3.537 8.264 1.00 0.00 C ATOM 466 CG ASP A 34 0.179 -3.406 9.431 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.636 -2.275 9.698 1.00 0.00 O ATOM 468 OD2 ASP A 34 0.472 -4.434 10.077 1.00 0.00 O ATOM 0 H ASP A 34 -0.776 -1.048 6.894 1.00 0.00 H new ATOM 0 HA ASP A 34 0.791 -3.549 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.684 -2.963 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.082 -4.579 8.160 1.00 0.00 H new ATOM 473 N PRO A 35 -0.551 -3.403 4.549 1.00 0.00 N ATOM 474 CA PRO A 35 -1.327 -3.731 3.348 1.00 0.00 C ATOM 475 C PRO A 35 -1.691 -5.210 3.280 1.00 0.00 C ATOM 476 O PRO A 35 -0.829 -6.079 3.408 1.00 0.00 O ATOM 477 CB PRO A 35 -0.384 -3.359 2.203 1.00 0.00 C ATOM 478 CG PRO A 35 0.982 -3.469 2.786 1.00 0.00 C ATOM 479 CD PRO A 35 0.850 -3.068 4.229 1.00 0.00 C ATOM 0 HA PRO A 35 -2.280 -3.202 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.507 -4.032 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.580 -2.350 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.363 -4.486 2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.683 -2.819 2.263 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.549 -3.613 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.052 -2.006 4.371 1.00 0.00 H new ATOM 487 N VAL A 36 -2.974 -5.489 3.076 1.00 0.00 N ATOM 488 CA VAL A 36 -3.455 -6.862 2.989 1.00 0.00 C ATOM 489 C VAL A 36 -3.982 -7.171 1.592 1.00 0.00 C ATOM 490 O VAL A 36 -4.786 -6.420 1.040 1.00 0.00 O ATOM 491 CB VAL A 36 -4.569 -7.135 4.016 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.003 -7.147 5.428 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.678 -6.102 3.887 1.00 0.00 C ATOM 0 H VAL A 36 -3.700 -4.781 2.968 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.605 -7.508 3.207 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.994 -8.118 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.805 -7.341 6.140 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.247 -7.928 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.550 -6.180 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.457 -6.311 4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.270 -5.107 4.064 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.103 -6.147 2.884 1.00 0.00 H new ATOM 503 N VAL A 37 -3.523 -8.282 1.024 1.00 0.00 N ATOM 504 CA VAL A 37 -3.948 -8.690 -0.309 1.00 0.00 C ATOM 505 C VAL A 37 -5.336 -9.322 -0.273 1.00 0.00 C ATOM 506 O VAL A 37 -5.571 -10.284 0.459 1.00 0.00 O ATOM 507 CB VAL A 37 -2.957 -9.691 -0.934 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.322 -9.971 -2.385 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.530 -9.172 -0.828 1.00 0.00 C ATOM 0 H VAL A 37 -2.857 -8.915 1.467 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.977 -7.789 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.020 -10.627 -0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.611 -10.680 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.326 -10.392 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.291 -9.042 -2.954 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.846 -9.894 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.449 -8.221 -1.354 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.272 -9.029 0.221 1.00 0.00 H new ATOM 519 N LEU A 38 -6.249 -8.776 -1.068 1.00 0.00 N ATOM 520 CA LEU A 38 -7.613 -9.288 -1.127 1.00 0.00 C ATOM 521 C LEU A 38 -7.713 -10.458 -2.107 1.00 0.00 C ATOM 522 O LEU A 38 -7.313 -10.340 -3.265 1.00 0.00 O ATOM 523 CB LEU A 38 -8.578 -8.176 -1.543 1.00 0.00 C ATOM 524 CG LEU A 38 -8.531 -6.920 -0.671 1.00 0.00 C ATOM 525 CD1 LEU A 38 -9.321 -5.793 -1.318 1.00 0.00 C ATOM 526 CD2 LEU A 38 -9.067 -7.218 0.721 1.00 0.00 C ATOM 0 H LEU A 38 -6.070 -7.980 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.886 -9.644 -0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.361 -7.893 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.593 -8.572 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.492 -6.603 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.277 -4.907 -0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.894 -5.563 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.360 -6.100 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.026 -6.314 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.099 -7.560 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.460 -7.995 1.186 1.00 0.00 H new ATOM 538 N PRO A 39 -8.247 -11.609 -1.657 1.00 0.00 N ATOM 539 CA PRO A 39 -8.390 -12.795 -2.508 1.00 0.00 C ATOM 540 C PRO A 39 -9.492 -12.644 -3.554 1.00 0.00 C ATOM 541 O PRO A 39 -9.654 -13.503 -4.421 1.00 0.00 O ATOM 542 CB PRO A 39 -8.749 -13.899 -1.512 1.00 0.00 C ATOM 543 CG PRO A 39 -9.421 -13.187 -0.389 1.00 0.00 C ATOM 544 CD PRO A 39 -8.750 -11.845 -0.289 1.00 0.00 C ATOM 0 HA PRO A 39 -7.485 -12.991 -3.083 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.409 -14.641 -1.963 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.860 -14.429 -1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.488 -13.076 -0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.320 -13.744 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.449 -11.069 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.940 -11.854 0.440 1.00 0.00 H new ATOM 552 N SER A 40 -10.250 -11.553 -3.470 1.00 0.00 N ATOM 553 CA SER A 40 -11.336 -11.307 -4.413 1.00 0.00 C ATOM 554 C SER A 40 -10.981 -10.174 -5.375 1.00 0.00 C ATOM 555 O SER A 40 -10.600 -10.417 -6.520 1.00 0.00 O ATOM 556 CB SER A 40 -12.626 -10.974 -3.659 1.00 0.00 C ATOM 557 OG SER A 40 -13.610 -11.973 -3.867 1.00 0.00 O ATOM 0 H SER A 40 -10.132 -10.829 -2.762 1.00 0.00 H new ATOM 0 HA SER A 40 -11.490 -12.214 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.415 -10.883 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.007 -10.009 -3.992 1.00 0.00 H new ATOM 0 HG SER A 40 -14.424 -11.738 -3.374 1.00 0.00 H new ATOM 563 N SER A 41 -11.115 -8.938 -4.903 1.00 0.00 N ATOM 564 CA SER A 41 -10.815 -7.769 -5.723 1.00 0.00 C ATOM 565 C SER A 41 -9.352 -7.759 -6.160 1.00 0.00 C ATOM 566 O SER A 41 -9.003 -7.145 -7.169 1.00 0.00 O ATOM 567 CB SER A 41 -11.135 -6.487 -4.953 1.00 0.00 C ATOM 568 OG SER A 41 -10.523 -6.494 -3.675 1.00 0.00 O ATOM 0 H SER A 41 -11.429 -8.720 -3.957 1.00 0.00 H new ATOM 0 HA SER A 41 -11.438 -7.819 -6.616 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.790 -5.623 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.215 -6.385 -4.842 1.00 0.00 H new ATOM 0 HG SER A 41 -9.606 -6.831 -3.753 1.00 0.00 H new ATOM 574 N ARG A 42 -8.500 -8.435 -5.397 1.00 0.00 N ATOM 575 CA ARG A 42 -7.077 -8.495 -5.710 1.00 0.00 C ATOM 576 C ARG A 42 -6.456 -7.102 -5.676 1.00 0.00 C ATOM 577 O ARG A 42 -5.555 -6.793 -6.454 1.00 0.00 O ATOM 578 CB ARG A 42 -6.859 -9.131 -7.085 1.00 0.00 C ATOM 579 CG ARG A 42 -6.880 -10.652 -7.062 1.00 0.00 C ATOM 580 CD ARG A 42 -7.987 -11.213 -7.942 1.00 0.00 C ATOM 581 NE ARG A 42 -8.706 -12.304 -7.289 1.00 0.00 N ATOM 582 CZ ARG A 42 -9.455 -13.193 -7.938 1.00 0.00 C ATOM 583 NH1 ARG A 42 -9.587 -13.122 -9.257 1.00 0.00 N ATOM 584 NH2 ARG A 42 -10.073 -14.155 -7.267 1.00 0.00 N ATOM 0 H ARG A 42 -8.770 -8.949 -4.558 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.590 -9.111 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.631 -8.775 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.902 -8.795 -7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.917 -11.034 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.018 -10.999 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.688 -10.417 -8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.559 -11.570 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.630 -12.390 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.113 -12.384 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.162 -13.806 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.975 -14.214 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.647 -14.836 -7.764 1.00 0.00 H new ATOM 598 N VAL A 43 -6.948 -6.266 -4.767 1.00 0.00 N ATOM 599 CA VAL A 43 -6.445 -4.905 -4.627 1.00 0.00 C ATOM 600 C VAL A 43 -5.773 -4.706 -3.272 1.00 0.00 C ATOM 601 O VAL A 43 -6.429 -4.736 -2.232 1.00 0.00 O ATOM 602 CB VAL A 43 -7.575 -3.870 -4.783 1.00 0.00 C ATOM 603 CG1 VAL A 43 -7.009 -2.458 -4.816 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.389 -4.155 -6.036 1.00 0.00 C ATOM 0 H VAL A 43 -7.695 -6.508 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.713 -4.754 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.236 -3.950 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.823 -1.742 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.474 -2.259 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.323 -2.360 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.183 -3.414 -6.130 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.740 -4.105 -6.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.828 -5.150 -5.966 1.00 0.00 H new ATOM 614 N THR A 44 -4.459 -4.505 -3.294 1.00 0.00 N ATOM 615 CA THR A 44 -3.697 -4.303 -2.067 1.00 0.00 C ATOM 616 C THR A 44 -4.200 -3.081 -1.306 1.00 0.00 C ATOM 617 O THR A 44 -4.014 -1.945 -1.741 1.00 0.00 O ATOM 618 CB THR A 44 -2.210 -4.142 -2.387 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.871 -4.851 -3.565 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.302 -4.630 -1.279 1.00 0.00 C ATOM 0 H THR A 44 -3.901 -4.478 -4.147 1.00 0.00 H new ATOM 0 HA THR A 44 -3.834 -5.181 -1.436 1.00 0.00 H new ATOM 0 HB THR A 44 -2.057 -3.070 -2.513 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.916 -4.734 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.262 -4.487 -1.571 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.504 -4.066 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.485 -5.689 -1.098 1.00 0.00 H new ATOM 628 N VAL A 45 -4.836 -3.323 -0.164 1.00 0.00 N ATOM 629 CA VAL A 45 -5.365 -2.244 0.661 1.00 0.00 C ATOM 630 C VAL A 45 -4.976 -2.430 2.123 1.00 0.00 C ATOM 631 O VAL A 45 -4.697 -3.546 2.563 1.00 0.00 O ATOM 632 CB VAL A 45 -6.900 -2.157 0.559 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.323 -1.797 -0.857 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.540 -3.465 0.998 1.00 0.00 C ATOM 0 H VAL A 45 -4.997 -4.258 0.211 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.930 -1.318 0.285 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.245 -1.368 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.410 -1.740 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.896 -0.832 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.966 -2.560 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.624 -3.384 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.189 -4.275 0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.266 -3.675 2.032 1.00 0.00 H new ATOM 644 N ASP A 46 -4.959 -1.332 2.871 1.00 0.00 N ATOM 645 CA ASP A 46 -4.604 -1.378 4.286 1.00 0.00 C ATOM 646 C ASP A 46 -5.549 -2.299 5.053 1.00 0.00 C ATOM 647 O ASP A 46 -6.745 -2.354 4.768 1.00 0.00 O ATOM 648 CB ASP A 46 -4.639 0.029 4.887 1.00 0.00 C ATOM 649 CG ASP A 46 -3.258 0.534 5.260 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.372 -0.304 5.524 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.066 1.768 5.285 1.00 0.00 O ATOM 0 H ASP A 46 -5.186 -0.401 2.523 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.592 -1.775 4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.093 0.715 4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.274 0.027 5.773 1.00 0.00 H new ATOM 656 N ARG A 47 -5.002 -3.021 6.026 1.00 0.00 N ATOM 657 CA ARG A 47 -5.797 -3.939 6.834 1.00 0.00 C ATOM 658 C ARG A 47 -6.921 -3.200 7.551 1.00 0.00 C ATOM 659 O ARG A 47 -7.980 -3.769 7.817 1.00 0.00 O ATOM 660 CB ARG A 47 -4.908 -4.655 7.854 1.00 0.00 C ATOM 661 CG ARG A 47 -5.337 -6.085 8.137 1.00 0.00 C ATOM 662 CD ARG A 47 -6.173 -6.178 9.405 1.00 0.00 C ATOM 663 NE ARG A 47 -5.636 -7.161 10.342 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.605 -8.470 10.107 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.080 -8.959 8.968 1.00 0.00 N ATOM 666 NH2 ARG A 47 -5.097 -9.295 11.014 1.00 0.00 N ATOM 0 H ARG A 47 -4.013 -2.988 6.274 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.241 -4.678 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.881 -4.658 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.913 -4.091 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.911 -6.467 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.455 -6.718 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.211 -5.201 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.197 -6.446 9.145 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.263 -6.824 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.472 -8.330 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.053 -9.964 8.794 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.730 -8.925 11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.073 -10.299 10.834 1.00 0.00 H new ATOM 680 N SER A 48 -6.686 -1.929 7.859 1.00 0.00 N ATOM 681 CA SER A 48 -7.680 -1.113 8.545 1.00 0.00 C ATOM 682 C SER A 48 -8.701 -0.555 7.558 1.00 0.00 C ATOM 683 O SER A 48 -9.867 -0.360 7.899 1.00 0.00 O ATOM 684 CB SER A 48 -7.001 0.033 9.297 1.00 0.00 C ATOM 685 OG SER A 48 -6.513 1.015 8.398 1.00 0.00 O ATOM 0 H SER A 48 -5.816 -1.442 7.644 1.00 0.00 H new ATOM 0 HA SER A 48 -8.202 -1.748 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.710 0.489 9.989 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.178 -0.358 9.895 1.00 0.00 H new ATOM 0 HG SER A 48 -6.085 1.737 8.903 1.00 0.00 H new ATOM 691 N THR A 49 -8.253 -0.300 6.332 1.00 0.00 N ATOM 692 CA THR A 49 -9.129 0.235 5.297 1.00 0.00 C ATOM 693 C THR A 49 -10.238 -0.754 4.958 1.00 0.00 C ATOM 694 O THR A 49 -11.387 -0.366 4.749 1.00 0.00 O ATOM 695 CB THR A 49 -8.325 0.568 4.039 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.197 1.362 4.360 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.128 1.313 2.994 1.00 0.00 C ATOM 0 H THR A 49 -7.290 -0.455 6.032 1.00 0.00 H new ATOM 0 HA THR A 49 -9.585 1.148 5.680 1.00 0.00 H new ATOM 0 HB THR A 49 -8.026 -0.395 3.625 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.085 2.060 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.498 1.518 2.129 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.979 0.705 2.688 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.486 2.254 3.413 1.00 0.00 H new ATOM 705 N ILE A 50 -9.885 -2.032 4.909 1.00 0.00 N ATOM 706 CA ILE A 50 -10.850 -3.080 4.599 1.00 0.00 C ATOM 707 C ILE A 50 -11.701 -3.419 5.820 1.00 0.00 C ATOM 708 O ILE A 50 -12.849 -3.842 5.688 1.00 0.00 O ATOM 709 CB ILE A 50 -10.150 -4.357 4.090 1.00 0.00 C ATOM 710 CG1 ILE A 50 -11.184 -5.421 3.712 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.186 -4.895 5.141 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.996 -5.063 2.486 1.00 0.00 C ATOM 0 H ILE A 50 -8.937 -2.368 5.080 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.496 -2.697 3.809 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.577 -4.103 3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.673 -6.367 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.859 -5.575 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.702 -5.796 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.430 -4.141 5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.736 -5.133 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.708 -5.861 2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.535 -4.133 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.330 -4.937 1.632 1.00 0.00 H new ATOM 724 N ALA A 51 -11.133 -3.229 7.006 1.00 0.00 N ATOM 725 CA ALA A 51 -11.842 -3.515 8.246 1.00 0.00 C ATOM 726 C ALA A 51 -13.088 -2.645 8.375 1.00 0.00 C ATOM 727 O ALA A 51 -14.165 -3.133 8.716 1.00 0.00 O ATOM 728 CB ALA A 51 -10.924 -3.307 9.441 1.00 0.00 C ATOM 0 H ALA A 51 -10.184 -2.878 7.134 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.157 -4.558 8.224 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.468 -3.525 10.360 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.066 -3.974 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.579 -2.273 9.460 1.00 0.00 H new ATOM 734 N ARG A 52 -12.933 -1.355 8.097 1.00 0.00 N ATOM 735 CA ARG A 52 -14.047 -0.418 8.179 1.00 0.00 C ATOM 736 C ARG A 52 -15.154 -0.810 7.207 1.00 0.00 C ATOM 737 O ARG A 52 -16.339 -0.628 7.491 1.00 0.00 O ATOM 738 CB ARG A 52 -13.569 1.005 7.882 1.00 0.00 C ATOM 739 CG ARG A 52 -14.636 2.064 8.105 1.00 0.00 C ATOM 740 CD ARG A 52 -14.628 3.106 6.999 1.00 0.00 C ATOM 741 NE ARG A 52 -15.979 3.532 6.638 1.00 0.00 N ATOM 742 CZ ARG A 52 -16.695 4.402 7.346 1.00 0.00 C ATOM 743 NH1 ARG A 52 -16.195 4.943 8.450 1.00 0.00 N ATOM 744 NH2 ARG A 52 -17.917 4.733 6.948 1.00 0.00 N ATOM 0 H ARG A 52 -12.048 -0.935 7.813 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.447 -0.452 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.709 1.229 8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.228 1.057 6.848 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -15.616 1.590 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.471 2.551 9.066 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.049 3.972 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.130 2.698 6.120 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.397 3.140 5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.256 4.693 8.761 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.749 5.609 8.988 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.306 4.321 6.100 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.467 5.400 7.490 1.00 0.00 H new ATOM 758 N HIS A 53 -14.760 -1.350 6.058 1.00 0.00 N ATOM 759 CA HIS A 53 -15.716 -1.771 5.042 1.00 0.00 C ATOM 760 C HIS A 53 -16.374 -3.093 5.426 1.00 0.00 C ATOM 761 O HIS A 53 -17.485 -3.393 4.993 1.00 0.00 O ATOM 762 CB HIS A 53 -15.022 -1.912 3.687 1.00 0.00 C ATOM 763 CG HIS A 53 -15.971 -2.099 2.545 1.00 0.00 C ATOM 764 ND1 HIS A 53 -16.919 -1.170 2.176 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.109 -3.139 1.684 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.590 -1.664 1.125 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.136 -2.856 0.788 1.00 0.00 N ATOM 0 H HIS A 53 -13.784 -1.506 5.808 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.490 -1.007 4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.417 -1.024 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.339 -2.761 3.724 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.517 -4.042 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.397 -1.153 0.620 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -17.469 -3.448 0.027 1.00 0.00 H new ATOM 775 N LEU A 54 -15.679 -3.880 6.243 1.00 0.00 N ATOM 776 CA LEU A 54 -16.196 -5.170 6.686 1.00 0.00 C ATOM 777 C LEU A 54 -16.893 -5.047 8.039 1.00 0.00 C ATOM 778 O LEU A 54 -16.898 -5.988 8.832 1.00 0.00 O ATOM 779 CB LEU A 54 -15.062 -6.193 6.777 1.00 0.00 C ATOM 780 CG LEU A 54 -14.403 -6.553 5.443 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.362 -7.644 5.640 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.453 -6.990 4.432 1.00 0.00 C ATOM 0 H LEU A 54 -14.757 -3.646 6.611 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.927 -5.509 5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.297 -5.805 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.452 -7.105 7.230 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.901 -5.667 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.904 -7.887 4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.595 -7.294 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.840 -8.534 6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.968 -7.242 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.983 -7.863 4.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.162 -6.178 4.269 1.00 0.00 H new ATOM 794 N LEU A 55 -17.484 -3.883 8.295 1.00 0.00 N ATOM 795 CA LEU A 55 -18.183 -3.641 9.551 1.00 0.00 C ATOM 796 C LEU A 55 -19.681 -3.883 9.392 1.00 0.00 C ATOM 797 O LEU A 55 -20.270 -4.690 10.111 1.00 0.00 O ATOM 798 CB LEU A 55 -17.934 -2.211 10.033 1.00 0.00 C ATOM 799 CG LEU A 55 -16.464 -1.848 10.254 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.340 -0.433 10.797 1.00 0.00 C ATOM 801 CD2 LEU A 55 -15.808 -2.843 11.199 1.00 0.00 C ATOM 0 H LEU A 55 -17.492 -3.094 7.649 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.795 -4.338 10.294 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.357 -1.520 9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.474 -2.060 10.968 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.949 -1.893 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.288 -0.192 10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.774 0.269 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.869 -0.360 11.747 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.763 -2.571 11.346 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.325 -2.829 12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -15.866 -3.844 10.771 1.00 0.00 H new ATOM 813 N SER A 56 -20.290 -3.176 8.446 1.00 0.00 N ATOM 814 CA SER A 56 -21.720 -3.312 8.191 1.00 0.00 C ATOM 815 C SER A 56 -21.985 -4.370 7.125 1.00 0.00 C ATOM 816 O SER A 56 -22.977 -5.097 7.191 1.00 0.00 O ATOM 817 CB SER A 56 -22.311 -1.971 7.752 1.00 0.00 C ATOM 818 OG SER A 56 -22.279 -1.029 8.810 1.00 0.00 O ATOM 0 H SER A 56 -19.816 -2.503 7.843 1.00 0.00 H new ATOM 0 HA SER A 56 -22.200 -3.627 9.118 1.00 0.00 H new ATOM 0 HB2 SER A 56 -21.751 -1.585 6.900 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.339 -2.114 7.420 1.00 0.00 H new ATOM 0 HG SER A 56 -22.661 -0.180 8.504 1.00 0.00 H new ATOM 824 N ASP A 57 -21.092 -4.452 6.145 1.00 0.00 N ATOM 825 CA ASP A 57 -21.229 -5.422 5.065 1.00 0.00 C ATOM 826 C ASP A 57 -19.927 -6.187 4.855 1.00 0.00 C ATOM 827 O ASP A 57 -18.951 -5.641 4.341 1.00 0.00 O ATOM 828 CB ASP A 57 -21.637 -4.720 3.768 1.00 0.00 C ATOM 829 CG ASP A 57 -23.073 -4.234 3.801 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.921 -4.928 4.401 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.350 -3.160 3.227 1.00 0.00 O ATOM 0 H ASP A 57 -20.265 -3.858 6.076 1.00 0.00 H new ATOM 0 HA ASP A 57 -22.007 -6.133 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.974 -3.873 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.507 -5.406 2.931 1.00 0.00 H new ATOM 836 N GLN A 58 -19.919 -7.454 5.255 1.00 0.00 N ATOM 837 CA GLN A 58 -18.737 -8.294 5.110 1.00 0.00 C ATOM 838 C GLN A 58 -18.495 -8.647 3.646 1.00 0.00 C ATOM 839 O GLN A 58 -18.774 -9.764 3.211 1.00 0.00 O ATOM 840 CB GLN A 58 -18.890 -9.573 5.936 1.00 0.00 C ATOM 841 CG GLN A 58 -18.592 -9.382 7.415 1.00 0.00 C ATOM 842 CD GLN A 58 -19.820 -9.557 8.286 1.00 0.00 C ATOM 843 OE1 GLN A 58 -20.694 -10.373 7.991 1.00 0.00 O ATOM 844 NE2 GLN A 58 -19.893 -8.790 9.368 1.00 0.00 N ATOM 0 H GLN A 58 -20.719 -7.921 5.682 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.877 -7.733 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.907 -9.948 5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -18.223 -10.336 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -17.828 -10.096 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -18.179 -8.386 7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -19.146 -8.127 9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -20.696 -8.864 9.992 1.00 0.00 H new ATOM 853 N THR A 59 -17.972 -7.686 2.890 1.00 0.00 N ATOM 854 CA THR A 59 -17.691 -7.896 1.474 1.00 0.00 C ATOM 855 C THR A 59 -16.556 -6.993 1.006 1.00 0.00 C ATOM 856 O THR A 59 -15.991 -6.230 1.792 1.00 0.00 O ATOM 857 CB THR A 59 -18.946 -7.633 0.641 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.646 -6.503 1.131 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.908 -8.799 0.625 1.00 0.00 C ATOM 0 H THR A 59 -17.735 -6.756 3.234 1.00 0.00 H new ATOM 0 HA THR A 59 -17.384 -8.933 1.338 1.00 0.00 H new ATOM 0 HB THR A 59 -18.588 -7.465 -0.375 1.00 0.00 H new ATOM 0 HG1 THR A 59 -20.520 -6.444 0.692 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.776 -8.546 0.016 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.412 -9.674 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 59 -20.230 -9.019 1.643 1.00 0.00 H new ATOM 867 N ASP A 60 -16.225 -7.082 -0.278 1.00 0.00 N ATOM 868 CA ASP A 60 -15.156 -6.272 -0.850 1.00 0.00 C ATOM 869 C ASP A 60 -15.695 -4.932 -1.347 1.00 0.00 C ATOM 870 O ASP A 60 -16.818 -4.852 -1.844 1.00 0.00 O ATOM 871 CB ASP A 60 -14.476 -7.024 -1.997 1.00 0.00 C ATOM 872 CG ASP A 60 -13.063 -7.450 -1.650 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.400 -6.733 -0.872 1.00 0.00 O ATOM 874 OD2 ASP A 60 -12.618 -8.502 -2.158 1.00 0.00 O ATOM 0 H ASP A 60 -16.682 -7.707 -0.942 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.421 -6.078 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.066 -7.904 -2.251 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.454 -6.388 -2.882 1.00 0.00 H new ATOM 879 N PRO A 61 -14.899 -3.856 -1.221 1.00 0.00 N ATOM 880 CA PRO A 61 -15.305 -2.519 -1.659 1.00 0.00 C ATOM 881 C PRO A 61 -15.231 -2.348 -3.175 1.00 0.00 C ATOM 882 O PRO A 61 -15.738 -1.369 -3.722 1.00 0.00 O ATOM 883 CB PRO A 61 -14.294 -1.607 -0.968 1.00 0.00 C ATOM 884 CG PRO A 61 -13.068 -2.442 -0.831 1.00 0.00 C ATOM 885 CD PRO A 61 -13.543 -3.858 -0.638 1.00 0.00 C ATOM 0 HA PRO A 61 -16.343 -2.305 -1.406 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -14.100 -0.711 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.659 -1.275 0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.440 -2.360 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.467 -2.114 0.017 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.891 -4.571 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.561 -4.134 0.416 1.00 0.00 H new ATOM 893 N PHE A 62 -14.594 -3.302 -3.850 1.00 0.00 N ATOM 894 CA PHE A 62 -14.457 -3.246 -5.301 1.00 0.00 C ATOM 895 C PHE A 62 -15.251 -4.362 -5.974 1.00 0.00 C ATOM 896 O PHE A 62 -16.011 -4.117 -6.911 1.00 0.00 O ATOM 897 CB PHE A 62 -12.982 -3.346 -5.699 1.00 0.00 C ATOM 898 CG PHE A 62 -12.069 -2.514 -4.844 1.00 0.00 C ATOM 899 CD1 PHE A 62 -12.129 -1.131 -4.888 1.00 0.00 C ATOM 900 CD2 PHE A 62 -11.152 -3.115 -3.998 1.00 0.00 C ATOM 901 CE1 PHE A 62 -11.290 -0.362 -4.102 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.311 -2.353 -3.210 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.380 -0.975 -3.262 1.00 0.00 C ATOM 0 H PHE A 62 -14.166 -4.120 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.857 -2.290 -5.638 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.669 -4.389 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.873 -3.037 -6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.839 -0.648 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.094 -4.193 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.346 0.716 -4.145 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.601 -2.835 -2.554 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.724 -0.377 -2.647 1.00 0.00 H new ATOM 913 N ASN A 63 -15.067 -5.587 -5.493 1.00 0.00 N ATOM 914 CA ASN A 63 -15.762 -6.741 -6.054 1.00 0.00 C ATOM 915 C ASN A 63 -17.164 -6.880 -5.467 1.00 0.00 C ATOM 916 O ASN A 63 -18.069 -7.402 -6.120 1.00 0.00 O ATOM 917 CB ASN A 63 -14.961 -8.019 -5.798 1.00 0.00 C ATOM 918 CG ASN A 63 -15.185 -9.064 -6.872 1.00 0.00 C ATOM 919 OD1 ASN A 63 -16.251 -9.124 -7.486 1.00 0.00 O ATOM 920 ND2 ASN A 63 -14.177 -9.899 -7.105 1.00 0.00 N ATOM 0 H ASN A 63 -14.443 -5.807 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.855 -6.585 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.900 -7.776 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.240 -8.432 -4.829 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -14.270 -10.625 -7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.311 -9.814 -6.573 1.00 0.00 H new ATOM 927 N ARG A 64 -17.339 -6.416 -4.234 1.00 0.00 N ATOM 928 CA ARG A 64 -18.634 -6.495 -3.565 1.00 0.00 C ATOM 929 C ARG A 64 -19.035 -7.950 -3.333 1.00 0.00 C ATOM 930 O ARG A 64 -20.220 -8.284 -3.327 1.00 0.00 O ATOM 931 CB ARG A 64 -19.706 -5.778 -4.392 1.00 0.00 C ATOM 932 CG ARG A 64 -20.314 -4.575 -3.687 1.00 0.00 C ATOM 933 CD ARG A 64 -21.092 -4.988 -2.446 1.00 0.00 C ATOM 934 NE ARG A 64 -20.564 -4.361 -1.236 1.00 0.00 N ATOM 935 CZ ARG A 64 -20.830 -3.108 -0.873 1.00 0.00 C ATOM 936 NH1 ARG A 64 -21.618 -2.346 -1.621 1.00 0.00 N ATOM 937 NH2 ARG A 64 -20.307 -2.617 0.242 1.00 0.00 N ATOM 0 H ARG A 64 -16.602 -5.982 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.548 -6.002 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.268 -5.453 -5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.499 -6.485 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.524 -3.879 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.976 -4.046 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -22.140 -4.716 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.055 -6.072 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.956 -4.916 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -22.024 -2.720 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -21.818 -1.387 -1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -19.701 -3.199 0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.510 -1.657 0.521 1.00 0.00 H new ATOM 951 N SER A 65 -18.040 -8.809 -3.142 1.00 0.00 N ATOM 952 CA SER A 65 -18.285 -10.227 -2.909 1.00 0.00 C ATOM 953 C SER A 65 -18.039 -10.585 -1.444 1.00 0.00 C ATOM 954 O SER A 65 -17.441 -9.807 -0.701 1.00 0.00 O ATOM 955 CB SER A 65 -17.389 -11.075 -3.814 1.00 0.00 C ATOM 956 OG SER A 65 -18.111 -11.560 -4.934 1.00 0.00 O ATOM 0 H SER A 65 -17.054 -8.547 -3.144 1.00 0.00 H new ATOM 0 HA SER A 65 -19.328 -10.437 -3.146 1.00 0.00 H new ATOM 0 HB2 SER A 65 -16.541 -10.480 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.983 -11.913 -3.248 1.00 0.00 H new ATOM 0 HG SER A 65 -17.517 -12.098 -5.498 1.00 0.00 H new ATOM 962 N PRO A 66 -18.495 -11.772 -1.010 1.00 0.00 N ATOM 963 CA PRO A 66 -18.317 -12.227 0.373 1.00 0.00 C ATOM 964 C PRO A 66 -16.847 -12.287 0.774 1.00 0.00 C ATOM 965 O PRO A 66 -16.087 -13.113 0.268 1.00 0.00 O ATOM 966 CB PRO A 66 -18.934 -13.633 0.383 1.00 0.00 C ATOM 967 CG PRO A 66 -19.019 -14.035 -1.050 1.00 0.00 C ATOM 968 CD PRO A 66 -19.215 -12.764 -1.824 1.00 0.00 C ATOM 0 HA PRO A 66 -18.783 -11.545 1.085 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.317 -14.329 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.919 -13.627 0.849 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -18.111 -14.548 -1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.848 -14.724 -1.214 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -18.804 -12.836 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -20.270 -12.512 -1.928 1.00 0.00 H new ATOM 976 N LEU A 67 -16.453 -11.405 1.686 1.00 0.00 N ATOM 977 CA LEU A 67 -15.073 -11.354 2.156 1.00 0.00 C ATOM 978 C LEU A 67 -15.021 -11.132 3.664 1.00 0.00 C ATOM 979 O LEU A 67 -15.879 -10.458 4.233 1.00 0.00 O ATOM 980 CB LEU A 67 -14.312 -10.239 1.436 1.00 0.00 C ATOM 981 CG LEU A 67 -12.873 -10.022 1.911 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.931 -11.001 1.227 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.438 -8.589 1.647 1.00 0.00 C ATOM 0 H LEU A 67 -17.070 -10.715 2.115 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.601 -12.311 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.296 -10.462 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.863 -9.307 1.559 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.833 -10.203 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.913 -10.831 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -12.231 -12.021 1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.973 -10.853 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.413 -8.451 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.494 -8.383 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.095 -7.905 2.183 1.00 0.00 H new ATOM 995 N THR A 68 -14.006 -11.704 4.304 1.00 0.00 N ATOM 996 CA THR A 68 -13.839 -11.568 5.747 1.00 0.00 C ATOM 997 C THR A 68 -12.424 -11.113 6.088 1.00 0.00 C ATOM 998 O THR A 68 -11.609 -10.866 5.198 1.00 0.00 O ATOM 999 CB THR A 68 -14.142 -12.895 6.444 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.721 -13.988 5.646 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.612 -13.089 6.749 1.00 0.00 C ATOM 0 H THR A 68 -13.287 -12.265 3.847 1.00 0.00 H new ATOM 0 HA THR A 68 -14.541 -10.812 6.100 1.00 0.00 H new ATOM 0 HB THR A 68 -13.594 -12.859 7.385 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.922 -14.828 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.757 -14.050 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.956 -12.288 7.404 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.182 -13.069 5.820 1.00 0.00 H new ATOM 1009 N MET A 69 -12.137 -11.001 7.380 1.00 0.00 N ATOM 1010 CA MET A 69 -10.820 -10.575 7.837 1.00 0.00 C ATOM 1011 C MET A 69 -9.821 -11.726 7.780 1.00 0.00 C ATOM 1012 O MET A 69 -8.618 -11.510 7.628 1.00 0.00 O ATOM 1013 CB MET A 69 -10.905 -10.028 9.263 1.00 0.00 C ATOM 1014 CG MET A 69 -10.021 -8.815 9.502 1.00 0.00 C ATOM 1015 SD MET A 69 -10.904 -7.257 9.287 1.00 0.00 S ATOM 1016 CE MET A 69 -10.076 -6.596 7.843 1.00 0.00 C ATOM 0 H MET A 69 -12.799 -11.200 8.130 1.00 0.00 H new ATOM 0 HA MET A 69 -10.472 -9.785 7.171 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.939 -9.762 9.480 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.625 -10.815 9.963 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.614 -8.861 10.512 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.175 -8.846 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.806 -6.112 7.194 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.328 -5.867 8.154 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.589 -7.406 7.300 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.326 -12.950 7.903 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.475 -14.134 7.866 1.00 0.00 C ATOM 1028 C ASP A 70 -9.117 -14.504 6.429 1.00 0.00 C ATOM 1029 O ASP A 70 -8.023 -15.002 6.160 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.174 -15.311 8.551 1.00 0.00 C ATOM 1031 CG ASP A 70 -9.645 -15.563 9.949 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -8.432 -15.827 10.086 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -10.444 -15.497 10.907 1.00 0.00 O ATOM 0 H ASP A 70 -11.319 -13.147 8.029 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.554 -13.906 8.402 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.245 -15.115 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -10.042 -16.209 7.948 1.00 0.00 H new ATOM 1038 N GLN A 71 -10.046 -14.261 5.509 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.827 -14.571 4.101 1.00 0.00 C ATOM 1040 C GLN A 71 -8.663 -13.761 3.537 1.00 0.00 C ATOM 1041 O GLN A 71 -7.873 -14.266 2.740 1.00 0.00 O ATOM 1042 CB GLN A 71 -11.096 -14.296 3.293 1.00 0.00 C ATOM 1043 CG GLN A 71 -12.081 -15.452 3.299 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.857 -15.565 2.001 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -13.288 -14.427 1.469 1.00 0.00 O flip ATOM 1046 NE2 GLN A 71 -13.065 -16.661 1.482 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.957 -13.851 5.714 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.578 -15.629 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.587 -13.409 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.820 -14.070 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.542 -16.382 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.780 -15.324 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.715 -17.510 1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.587 -16.720 0.608 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.563 -12.505 3.957 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.494 -11.628 3.491 1.00 0.00 C ATOM 1057 C ILE A 72 -6.158 -12.011 4.119 1.00 0.00 C ATOM 1058 O ILE A 72 -6.114 -12.578 5.210 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.796 -10.152 3.814 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -7.979 -9.964 5.321 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -9.033 -9.687 3.061 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.404 -8.664 5.842 1.00 0.00 C ATOM 0 H ILE A 72 -9.207 -12.071 4.618 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.433 -11.750 2.409 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.950 -9.544 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.042 -10.002 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.506 -10.796 5.843 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.233 -8.642 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.866 -9.788 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.888 -10.296 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.570 -8.598 6.917 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.334 -8.631 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.894 -7.825 5.347 1.00 0.00 H new ATOM 1074 N ARG A 73 -5.071 -11.698 3.421 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.733 -12.010 3.911 1.00 0.00 C ATOM 1076 C ARG A 73 -2.839 -10.772 3.882 1.00 0.00 C ATOM 1077 O ARG A 73 -2.993 -9.904 3.023 1.00 0.00 O ATOM 1078 CB ARG A 73 -3.105 -13.124 3.071 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.810 -14.463 3.213 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.078 -15.378 4.181 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.503 -16.769 4.047 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.094 -17.579 3.072 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.251 -17.141 2.146 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.529 -18.831 3.024 1.00 0.00 N ATOM 0 H ARG A 73 -5.090 -11.229 2.515 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.823 -12.348 4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.115 -12.827 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.060 -13.240 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.830 -14.303 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.879 -14.944 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.005 -15.308 4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.255 -15.042 5.202 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.151 -17.142 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.913 -16.179 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.941 -17.766 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.177 -19.173 3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.216 -19.451 2.277 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.887 -10.675 4.827 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.967 -9.537 4.907 1.00 0.00 C ATOM 1100 C PRO A 74 0.103 -9.579 3.820 1.00 0.00 C ATOM 1101 O PRO A 74 0.803 -10.580 3.663 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.333 -9.695 6.288 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.382 -11.160 6.557 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.633 -11.666 5.891 1.00 0.00 C ATOM 0 HA PRO A 74 -1.479 -8.586 4.763 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.692 -9.324 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.883 -9.134 7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.501 -11.659 6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.403 -11.359 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.492 -12.666 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.465 -11.723 6.592 1.00 0.00 H new ATOM 1112 N ASN A 75 0.223 -8.487 3.074 1.00 0.00 N ATOM 1113 CA ASN A 75 1.208 -8.400 2.001 1.00 0.00 C ATOM 1114 C ASN A 75 2.610 -8.200 2.567 1.00 0.00 C ATOM 1115 O ASN A 75 3.063 -7.070 2.748 1.00 0.00 O ATOM 1116 CB ASN A 75 0.860 -7.252 1.053 1.00 0.00 C ATOM 1117 CG ASN A 75 1.285 -7.532 -0.375 1.00 0.00 C ATOM 1118 OD1 ASN A 75 1.581 -8.672 -0.735 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.318 -6.491 -1.199 1.00 0.00 N ATOM 0 H ASN A 75 -0.348 -7.650 3.192 1.00 0.00 H new ATOM 0 HA ASN A 75 1.189 -9.338 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.215 -7.075 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.343 -6.339 1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.597 -6.619 -2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 75 1.065 -5.563 -0.859 1.00 0.00 H new ATOM 1126 N THR A 76 3.294 -9.306 2.843 1.00 0.00 N ATOM 1127 CA THR A 76 4.646 -9.255 3.389 1.00 0.00 C ATOM 1128 C THR A 76 5.600 -8.572 2.414 1.00 0.00 C ATOM 1129 O THR A 76 6.485 -7.819 2.821 1.00 0.00 O ATOM 1130 CB THR A 76 5.143 -10.666 3.704 1.00 0.00 C ATOM 1131 OG1 THR A 76 4.058 -11.524 4.013 1.00 0.00 O ATOM 1132 CG2 THR A 76 6.111 -10.713 4.867 1.00 0.00 C ATOM 0 H THR A 76 2.934 -10.249 2.697 1.00 0.00 H new ATOM 0 HA THR A 76 4.619 -8.673 4.310 1.00 0.00 H new ATOM 0 HB THR A 76 5.663 -10.996 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.397 -12.422 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.425 -11.743 5.038 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.984 -10.101 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.623 -10.329 5.763 1.00 0.00 H new ATOM 1140 N GLU A 77 5.417 -8.842 1.127 1.00 0.00 N ATOM 1141 CA GLU A 77 6.262 -8.254 0.094 1.00 0.00 C ATOM 1142 C GLU A 77 6.174 -6.731 0.117 1.00 0.00 C ATOM 1143 O GLU A 77 7.141 -6.038 -0.200 1.00 0.00 O ATOM 1144 CB GLU A 77 5.859 -8.779 -1.285 1.00 0.00 C ATOM 1145 CG GLU A 77 6.589 -10.049 -1.689 1.00 0.00 C ATOM 1146 CD GLU A 77 5.676 -11.056 -2.363 1.00 0.00 C ATOM 1147 OE1 GLU A 77 4.477 -11.095 -2.018 1.00 0.00 O ATOM 1148 OE2 GLU A 77 6.162 -11.806 -3.236 1.00 0.00 O ATOM 0 H GLU A 77 4.691 -9.465 0.773 1.00 0.00 H new ATOM 0 HA GLU A 77 7.293 -8.542 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.786 -8.969 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.052 -8.006 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.406 -9.795 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.036 -10.504 -0.805 1.00 0.00 H new ATOM 1155 N LEU A 78 5.008 -6.217 0.494 1.00 0.00 N ATOM 1156 CA LEU A 78 4.793 -4.776 0.560 1.00 0.00 C ATOM 1157 C LEU A 78 5.155 -4.233 1.938 1.00 0.00 C ATOM 1158 O LEU A 78 5.719 -3.145 2.061 1.00 0.00 O ATOM 1159 CB LEU A 78 3.337 -4.440 0.233 1.00 0.00 C ATOM 1160 CG LEU A 78 3.054 -2.958 -0.012 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.896 -2.439 -1.168 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.574 -2.738 -0.289 1.00 0.00 C ATOM 0 H LEU A 78 4.197 -6.777 0.758 1.00 0.00 H new ATOM 0 HA LEU A 78 5.442 -4.304 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.041 -5.002 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.708 -4.783 1.054 1.00 0.00 H new ATOM 0 HG LEU A 78 3.323 -2.402 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.682 -1.382 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.953 -2.563 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.657 -2.999 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.390 -1.678 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.281 -3.305 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.990 -3.073 0.568 1.00 0.00 H new ATOM 1174 N LYS A 79 4.826 -4.999 2.973 1.00 0.00 N ATOM 1175 CA LYS A 79 5.113 -4.598 4.347 1.00 0.00 C ATOM 1176 C LYS A 79 6.603 -4.330 4.539 1.00 0.00 C ATOM 1177 O LYS A 79 6.993 -3.484 5.342 1.00 0.00 O ATOM 1178 CB LYS A 79 4.648 -5.681 5.322 1.00 0.00 C ATOM 1179 CG LYS A 79 4.628 -5.228 6.772 1.00 0.00 C ATOM 1180 CD LYS A 79 4.573 -6.411 7.725 1.00 0.00 C ATOM 1181 CE LYS A 79 5.311 -6.118 9.022 1.00 0.00 C ATOM 1182 NZ LYS A 79 6.671 -6.722 9.036 1.00 0.00 N ATOM 0 H LYS A 79 4.360 -5.902 2.887 1.00 0.00 H new ATOM 0 HA LYS A 79 4.569 -3.676 4.550 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.647 -6.008 5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.304 -6.547 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.517 -4.633 6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.766 -4.583 6.941 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.533 -6.655 7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.012 -7.286 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.391 -5.040 9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.734 -6.503 9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.141 -6.499 9.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.594 -7.754 8.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.231 -6.336 8.249 1.00 0.00 H new ATOM 1196 N GLU A 80 7.430 -5.059 3.797 1.00 0.00 N ATOM 1197 CA GLU A 80 8.877 -4.901 3.886 1.00 0.00 C ATOM 1198 C GLU A 80 9.338 -3.654 3.138 1.00 0.00 C ATOM 1199 O GLU A 80 10.331 -3.029 3.507 1.00 0.00 O ATOM 1200 CB GLU A 80 9.581 -6.137 3.321 1.00 0.00 C ATOM 1201 CG GLU A 80 9.418 -7.378 4.183 1.00 0.00 C ATOM 1202 CD GLU A 80 10.735 -8.080 4.454 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.683 -7.407 4.911 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.818 -9.302 4.210 1.00 0.00 O ATOM 0 H GLU A 80 7.123 -5.765 3.128 1.00 0.00 H new ATOM 0 HA GLU A 80 9.140 -4.789 4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.191 -6.343 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.643 -5.920 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.958 -7.099 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.736 -8.071 3.690 1.00 0.00 H new ATOM 1211 N LYS A 81 8.608 -3.297 2.087 1.00 0.00 N ATOM 1212 CA LYS A 81 8.942 -2.124 1.287 1.00 0.00 C ATOM 1213 C LYS A 81 8.672 -0.839 2.064 1.00 0.00 C ATOM 1214 O LYS A 81 9.366 0.162 1.887 1.00 0.00 O ATOM 1215 CB LYS A 81 8.143 -2.123 -0.017 1.00 0.00 C ATOM 1216 CG LYS A 81 8.511 -3.259 -0.957 1.00 0.00 C ATOM 1217 CD LYS A 81 7.619 -3.276 -2.189 1.00 0.00 C ATOM 1218 CE LYS A 81 8.337 -2.715 -3.405 1.00 0.00 C ATOM 1219 NZ LYS A 81 9.099 -3.767 -4.134 1.00 0.00 N ATOM 0 H LYS A 81 7.781 -3.803 1.769 1.00 0.00 H new ATOM 0 HA LYS A 81 10.005 -2.168 1.052 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.080 -2.187 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.300 -1.174 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.552 -3.157 -1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.425 -4.210 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.299 -4.298 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.719 -2.693 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.610 -2.261 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.019 -1.924 -3.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.574 -3.344 -4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.810 -4.183 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.445 -4.509 -4.456 1.00 0.00 H new ATOM 1233 N ILE A 82 7.659 -0.876 2.924 1.00 0.00 N ATOM 1234 CA ILE A 82 7.297 0.286 3.727 1.00 0.00 C ATOM 1235 C ILE A 82 8.316 0.524 4.837 1.00 0.00 C ATOM 1236 O ILE A 82 8.558 1.663 5.237 1.00 0.00 O ATOM 1237 CB ILE A 82 5.899 0.124 4.355 1.00 0.00 C ATOM 1238 CG1 ILE A 82 4.878 -0.268 3.285 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.477 1.409 5.051 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.610 -0.870 3.852 1.00 0.00 C ATOM 0 H ILE A 82 7.075 -1.697 3.082 1.00 0.00 H new ATOM 0 HA ILE A 82 7.287 1.144 3.055 1.00 0.00 H new ATOM 0 HB ILE A 82 5.942 -0.671 5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.621 0.614 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.336 -0.983 2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.488 1.278 5.489 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.193 1.649 5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.448 2.223 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.932 -1.124 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.855 -1.771 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.129 -0.149 4.513 1.00 0.00 H new ATOM 1252 N GLN A 83 8.911 -0.557 5.330 1.00 0.00 N ATOM 1253 CA GLN A 83 9.904 -0.464 6.394 1.00 0.00 C ATOM 1254 C GLN A 83 11.229 0.066 5.858 1.00 0.00 C ATOM 1255 O GLN A 83 11.983 0.722 6.578 1.00 0.00 O ATOM 1256 CB GLN A 83 10.114 -1.834 7.043 1.00 0.00 C ATOM 1257 CG GLN A 83 8.821 -2.514 7.461 1.00 0.00 C ATOM 1258 CD GLN A 83 8.472 -2.261 8.914 1.00 0.00 C ATOM 1259 OE1 GLN A 83 8.994 -1.336 9.538 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.585 -3.084 9.462 1.00 0.00 N ATOM 0 H GLN A 83 8.723 -1.507 5.010 1.00 0.00 H new ATOM 0 HA GLN A 83 9.532 0.234 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.645 -2.480 6.344 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.753 -1.718 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.007 -2.159 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.909 -3.588 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.178 -3.837 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.311 -2.963 10.437 1.00 0.00 H new ATOM 1269 N ARG A 84 11.509 -0.221 4.591 1.00 0.00 N ATOM 1270 CA ARG A 84 12.746 0.227 3.961 1.00 0.00 C ATOM 1271 C ARG A 84 12.664 1.705 3.591 1.00 0.00 C ATOM 1272 O ARG A 84 13.653 2.432 3.675 1.00 0.00 O ATOM 1273 CB ARG A 84 13.037 -0.607 2.712 1.00 0.00 C ATOM 1274 CG ARG A 84 13.480 -2.029 3.019 1.00 0.00 C ATOM 1275 CD ARG A 84 14.965 -2.093 3.338 1.00 0.00 C ATOM 1276 NE ARG A 84 15.464 -3.466 3.349 1.00 0.00 N ATOM 1277 CZ ARG A 84 16.729 -3.794 3.606 1.00 0.00 C ATOM 1278 NH1 ARG A 84 17.624 -2.852 3.875 1.00 0.00 N ATOM 1279 NH2 ARG A 84 17.098 -5.067 3.595 1.00 0.00 N ATOM 0 H ARG A 84 10.896 -0.762 3.980 1.00 0.00 H new ATOM 0 HA ARG A 84 13.558 0.094 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.142 -0.640 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.812 -0.112 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.908 -2.415 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.262 -2.671 2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.519 -1.512 2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.147 -1.633 4.309 1.00 0.00 H new ATOM 0 HE ARG A 84 14.805 -4.218 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.344 -1.871 3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.591 -3.109 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.413 -5.795 3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.067 -5.319 3.792 1.00 0.00 H new ATOM 1293 N TRP A 85 11.478 2.141 3.179 1.00 0.00 N ATOM 1294 CA TRP A 85 11.268 3.532 2.794 1.00 0.00 C ATOM 1295 C TRP A 85 11.170 4.430 4.022 1.00 0.00 C ATOM 1296 O TRP A 85 11.745 5.518 4.056 1.00 0.00 O ATOM 1297 CB TRP A 85 9.999 3.663 1.948 1.00 0.00 C ATOM 1298 CG TRP A 85 9.736 5.062 1.482 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.352 5.713 0.452 1.00 0.00 C ATOM 1300 CD2 TRP A 85 8.788 5.985 2.031 1.00 0.00 C ATOM 1301 NE1 TRP A 85 9.844 6.983 0.325 1.00 0.00 N ATOM 1302 CE2 TRP A 85 8.883 7.174 1.283 1.00 0.00 C ATOM 1303 CE3 TRP A 85 7.867 5.921 3.081 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.093 8.288 1.553 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.083 7.029 3.347 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.200 8.198 2.586 1.00 0.00 C ATOM 0 H TRP A 85 10.649 1.552 3.103 1.00 0.00 H new ATOM 0 HA TRP A 85 12.126 3.852 2.202 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.081 3.008 1.080 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.146 3.316 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.126 5.291 -0.172 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.135 7.672 -0.369 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.770 5.023 3.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.182 9.191 0.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.368 6.992 4.156 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.573 9.046 2.819 1.00 0.00 H new ATOM 1317 N LEU A 86 10.434 3.969 5.029 1.00 0.00 N ATOM 1318 CA LEU A 86 10.257 4.732 6.261 1.00 0.00 C ATOM 1319 C LEU A 86 11.603 5.044 6.911 1.00 0.00 C ATOM 1320 O LEU A 86 11.755 6.062 7.585 1.00 0.00 O ATOM 1321 CB LEU A 86 9.372 3.960 7.241 1.00 0.00 C ATOM 1322 CG LEU A 86 7.867 4.133 7.028 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.092 3.114 7.849 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.439 5.547 7.388 1.00 0.00 C ATOM 0 H LEU A 86 9.950 3.071 5.016 1.00 0.00 H new ATOM 0 HA LEU A 86 9.771 5.674 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.614 2.900 7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.619 4.275 8.255 1.00 0.00 H new ATOM 0 HG LEU A 86 7.645 3.964 5.974 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.023 3.252 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.379 2.107 7.545 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.318 3.251 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.366 5.653 7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.674 5.743 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.970 6.260 6.757 1.00 0.00 H new ATOM 1336 N ALA A 87 12.574 4.161 6.706 1.00 0.00 N ATOM 1337 CA ALA A 87 13.904 4.343 7.274 1.00 0.00 C ATOM 1338 C ALA A 87 14.831 5.055 6.294 1.00 0.00 C ATOM 1339 O ALA A 87 15.766 5.745 6.699 1.00 0.00 O ATOM 1340 CB ALA A 87 14.492 3.000 7.678 1.00 0.00 C ATOM 0 H ALA A 87 12.465 3.312 6.151 1.00 0.00 H new ATOM 0 HA ALA A 87 13.809 4.969 8.161 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.485 3.150 8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.848 2.530 8.422 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.564 2.356 6.802 1.00 0.00 H new ATOM 1346 N GLU A 88 14.567 4.882 5.002 1.00 0.00 N ATOM 1347 CA GLU A 88 15.381 5.507 3.966 1.00 0.00 C ATOM 1348 C GLU A 88 14.960 6.956 3.739 1.00 0.00 C ATOM 1349 O GLU A 88 15.779 7.798 3.369 1.00 0.00 O ATOM 1350 CB GLU A 88 15.270 4.721 2.659 1.00 0.00 C ATOM 1351 CG GLU A 88 16.084 3.437 2.650 1.00 0.00 C ATOM 1352 CD GLU A 88 17.385 3.576 1.885 1.00 0.00 C ATOM 1353 OE1 GLU A 88 17.366 4.163 0.782 1.00 0.00 O ATOM 1354 OE2 GLU A 88 18.424 3.099 2.389 1.00 0.00 O ATOM 0 H GLU A 88 13.797 4.315 4.648 1.00 0.00 H new ATOM 0 HA GLU A 88 16.418 5.499 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.223 4.479 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.597 5.355 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.300 3.141 3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.490 2.638 2.207 1.00 0.00 H new ATOM 1361 N ARG A 89 13.681 7.240 3.960 1.00 0.00 N ATOM 1362 CA ARG A 89 13.156 8.589 3.777 1.00 0.00 C ATOM 1363 C ARG A 89 13.762 9.555 4.790 1.00 0.00 C ATOM 1364 O ARG A 89 13.881 10.751 4.526 1.00 0.00 O ATOM 1365 CB ARG A 89 11.630 8.587 3.900 1.00 0.00 C ATOM 1366 CG ARG A 89 11.127 8.228 5.289 1.00 0.00 C ATOM 1367 CD ARG A 89 9.834 8.956 5.617 1.00 0.00 C ATOM 1368 NE ARG A 89 9.767 9.344 7.024 1.00 0.00 N ATOM 1369 CZ ARG A 89 8.944 10.277 7.497 1.00 0.00 C ATOM 1370 NH1 ARG A 89 8.118 10.920 6.680 1.00 0.00 N ATOM 1371 NH2 ARG A 89 8.946 10.570 8.790 1.00 0.00 N ATOM 0 H ARG A 89 12.989 6.556 4.266 1.00 0.00 H new ATOM 0 HA ARG A 89 13.431 8.925 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.252 9.573 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.218 7.880 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.966 7.152 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.886 8.481 6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.749 9.845 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.986 8.315 5.377 1.00 0.00 H new ATOM 0 HE ARG A 89 10.387 8.872 7.682 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.112 10.700 5.684 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.490 11.634 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.579 10.080 9.423 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.315 11.285 9.152 1.00 0.00 H new ATOM 1385 N LYS A 90 14.144 9.029 5.950 1.00 0.00 N ATOM 1386 CA LYS A 90 14.736 9.847 7.002 1.00 0.00 C ATOM 1387 C LYS A 90 16.255 9.892 6.866 1.00 0.00 C ATOM 1388 O LYS A 90 16.984 9.628 7.823 1.00 0.00 O ATOM 1389 CB LYS A 90 14.348 9.300 8.377 1.00 0.00 C ATOM 1390 CG LYS A 90 12.870 9.460 8.700 1.00 0.00 C ATOM 1391 CD LYS A 90 12.656 9.853 10.152 1.00 0.00 C ATOM 1392 CE LYS A 90 12.661 8.638 11.065 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.067 8.941 12.396 1.00 0.00 N ATOM 0 H LYS A 90 14.054 8.040 6.185 1.00 0.00 H new ATOM 0 HA LYS A 90 14.352 10.862 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.610 8.243 8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.936 9.809 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.434 10.218 8.049 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.348 8.525 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.439 10.545 10.462 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.707 10.380 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.103 7.828 10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.684 8.286 11.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.089 8.087 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.614 9.696 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.082 9.252 12.274 1.00 0.00 H new ATOM 1407 N GLN A 91 16.726 10.230 5.670 1.00 0.00 N ATOM 1408 CA GLN A 91 18.159 10.311 5.408 1.00 0.00 C ATOM 1409 C GLN A 91 18.626 11.763 5.388 1.00 0.00 C ATOM 1410 O GLN A 91 18.280 12.525 4.485 1.00 0.00 O ATOM 1411 CB GLN A 91 18.494 9.631 4.077 1.00 0.00 C ATOM 1412 CG GLN A 91 19.473 8.478 4.213 1.00 0.00 C ATOM 1413 CD GLN A 91 19.294 7.432 3.130 1.00 0.00 C ATOM 1414 OE1 GLN A 91 19.140 6.244 3.417 1.00 0.00 O ATOM 1415 NE2 GLN A 91 19.316 7.868 1.876 1.00 0.00 N ATOM 0 H GLN A 91 16.137 10.452 4.867 1.00 0.00 H new ATOM 0 HA GLN A 91 18.682 9.793 6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.573 9.263 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.911 10.372 3.395 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.492 8.864 4.175 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.345 8.011 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.446 8.861 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 91 19.203 7.210 1.105 1.00 0.00 H new ATOM 1424 N GLN A 92 19.414 12.140 6.389 1.00 0.00 N ATOM 1425 CA GLN A 92 19.930 13.501 6.487 1.00 0.00 C ATOM 1426 C GLN A 92 21.442 13.527 6.288 1.00 0.00 C ATOM 1427 O GLN A 92 22.205 13.264 7.218 1.00 0.00 O ATOM 1428 CB GLN A 92 19.572 14.108 7.844 1.00 0.00 C ATOM 1429 CG GLN A 92 19.457 15.623 7.822 1.00 0.00 C ATOM 1430 CD GLN A 92 18.163 16.121 8.437 1.00 0.00 C ATOM 1431 OE1 GLN A 92 18.172 16.949 9.347 1.00 0.00 O ATOM 1432 NE2 GLN A 92 17.039 15.616 7.939 1.00 0.00 N ATOM 0 H GLN A 92 19.710 11.522 7.145 1.00 0.00 H new ATOM 0 HA GLN A 92 19.468 14.095 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 92 18.626 13.685 8.184 1.00 0.00 H new ATOM 0 HB3 GLN A 92 20.330 13.820 8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 92 20.300 16.055 8.361 1.00 0.00 H new ATOM 0 HG3 GLN A 92 19.523 15.973 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.078 14.931 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 92 16.137 15.913 8.312 1.00 0.00 H new ATOM 1441 N SER A 93 21.869 13.847 5.071 1.00 0.00 N ATOM 1442 CA SER A 93 23.290 13.908 4.750 1.00 0.00 C ATOM 1443 C SER A 93 23.864 15.281 5.085 1.00 0.00 C ATOM 1444 O SER A 93 24.699 15.414 5.981 1.00 0.00 O ATOM 1445 CB SER A 93 23.514 13.597 3.269 1.00 0.00 C ATOM 1446 OG SER A 93 23.771 12.218 3.071 1.00 0.00 O ATOM 0 H SER A 93 21.251 14.068 4.290 1.00 0.00 H new ATOM 0 HA SER A 93 23.806 13.161 5.353 1.00 0.00 H new ATOM 0 HB2 SER A 93 22.636 13.893 2.695 1.00 0.00 H new ATOM 0 HB3 SER A 93 24.352 14.184 2.894 1.00 0.00 H new ATOM 0 HG SER A 93 23.909 12.045 2.116 1.00 0.00 H new ATOM 1452 N GLY A 94 23.411 16.299 4.362 1.00 0.00 N ATOM 1453 CA GLY A 94 23.889 17.649 4.596 1.00 0.00 C ATOM 1454 C GLY A 94 24.899 18.098 3.555 1.00 0.00 C ATOM 1455 O GLY A 94 24.517 18.563 2.482 1.00 0.00 O ATOM 0 H GLY A 94 22.720 16.213 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 94 23.042 18.336 4.596 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.343 17.704 5.585 1.00 0.00 H new ATOM 1459 N PRO A 95 26.206 17.969 3.843 1.00 0.00 N ATOM 1460 CA PRO A 95 27.263 18.371 2.909 1.00 0.00 C ATOM 1461 C PRO A 95 27.089 17.737 1.534 1.00 0.00 C ATOM 1462 O PRO A 95 27.284 18.390 0.508 1.00 0.00 O ATOM 1463 CB PRO A 95 28.543 17.862 3.575 1.00 0.00 C ATOM 1464 CG PRO A 95 28.213 17.785 5.025 1.00 0.00 C ATOM 1465 CD PRO A 95 26.756 17.424 5.099 1.00 0.00 C ATOM 0 HA PRO A 95 27.261 19.446 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 95 28.832 16.887 3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 95 29.379 18.538 3.395 1.00 0.00 H new ATOM 0 HG2 PRO A 95 28.827 17.036 5.526 1.00 0.00 H new ATOM 0 HG3 PRO A 95 28.405 18.737 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 95 26.612 16.346 5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 95 26.276 17.865 5.973 1.00 0.00 H new ATOM 1473 N SER A 96 26.723 16.459 1.518 1.00 0.00 N ATOM 1474 CA SER A 96 26.523 15.735 0.268 1.00 0.00 C ATOM 1475 C SER A 96 25.358 16.322 -0.522 1.00 0.00 C ATOM 1476 O SER A 96 24.764 17.324 -0.120 1.00 0.00 O ATOM 1477 CB SER A 96 26.270 14.253 0.548 1.00 0.00 C ATOM 1478 OG SER A 96 27.481 13.518 0.548 1.00 0.00 O ATOM 0 H SER A 96 26.559 15.903 2.357 1.00 0.00 H new ATOM 0 HA SER A 96 27.429 15.835 -0.329 1.00 0.00 H new ATOM 0 HB2 SER A 96 25.774 14.142 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 96 25.595 13.848 -0.206 1.00 0.00 H new ATOM 0 HG SER A 96 27.291 12.574 0.731 1.00 0.00 H new ATOM 1484 N SER A 97 25.036 15.693 -1.647 1.00 0.00 N ATOM 1485 CA SER A 97 23.940 16.152 -2.493 1.00 0.00 C ATOM 1486 C SER A 97 24.197 17.570 -2.994 1.00 0.00 C ATOM 1487 O SER A 97 25.056 18.278 -2.469 1.00 0.00 O ATOM 1488 CB SER A 97 22.618 16.100 -1.725 1.00 0.00 C ATOM 1489 OG SER A 97 22.127 14.774 -1.644 1.00 0.00 O ATOM 0 H SER A 97 25.518 14.864 -1.994 1.00 0.00 H new ATOM 0 HA SER A 97 23.876 15.488 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.761 16.500 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 97 21.882 16.734 -2.219 1.00 0.00 H new ATOM 0 HG SER A 97 21.282 14.768 -1.147 1.00 0.00 H new ATOM 1495 N GLY A 98 23.445 17.978 -4.011 1.00 0.00 N ATOM 1496 CA GLY A 98 23.607 19.309 -4.565 1.00 0.00 C ATOM 1497 C GLY A 98 22.516 19.663 -5.556 1.00 0.00 C ATOM 1498 O GLY A 98 21.676 18.787 -5.852 1.00 0.00 O ATOM 1499 OXT GLY A 98 22.502 20.815 -6.037 1.00 0.00 O ATOM 0 H GLY A 98 22.727 17.411 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 98 23.608 20.038 -3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 98 24.577 19.378 -5.057 1.00 0.00 H new TER 1503 GLY A 98