USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 815 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 42 LYS NZ :NH3+ -172:sc= -1.66 (180deg=-2.59) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.43 USER MOD Set 2.1: A 25 GLN : amide:sc= -0.637 K(o=-0.74,f=-0.14) USER MOD Set 2.2: A 87 THR OG1 : rot -116:sc= -0.108 USER MOD Set 3.1: A 41 SER OG : rot -38:sc= 2.03 USER MOD Set 3.2: A 71 TYR OH : rot 59:sc= 0.0973 USER MOD Set 4.1: A 13 SER OG : rot -111:sc= 0.027 USER MOD Set 4.2: A 14 SER OG : rot 23:sc= 0.639 USER MOD Set 5.1: A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Set 5.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 177:sc= 0.213 (180deg=0.0822) USER MOD Single : A 4 SER OG : rot 180:sc= -0.258 USER MOD Single : A 7 SER OG : rot 170:sc= -0.574 USER MOD Single : A 11 GLN : amide:sc=-0.00316 K(o=-0.0032,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.23 (180deg=-1.14) USER MOD Single : A 17 SER OG : rot -90:sc= 0.485 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 17:sc= 0.0267 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.524 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.28) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -157:sc= -0.597 (180deg=-1.11) USER MOD Single : A 54 GLN : amide:sc= -0.624 X(o=-0.62,f=-0.21) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 57 LYS NZ :NH3+ -159:sc= -0.0734 (180deg=-0.591) USER MOD Single : A 59 HIS : no HD1:sc= -0.0375 X(o=-0.037,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -175:sc= -0.675 (180deg=-0.801) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0719 USER MOD Single : A 79 ASN : amide:sc= -0.228! C(o=-0.23!,f=-9.7!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -130:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -152:sc= -0.758 (180deg=-3.18!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.287 K(o=-0.29,f=-5.4!) USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= -0.0141 (180deg=-0.321) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.528 21.637 -6.458 1.00 0.00 N ATOM 2 CA ARG A 1 3.360 20.177 -6.706 1.00 0.00 C ATOM 3 C ARG A 1 4.512 19.413 -6.046 1.00 0.00 C ATOM 4 O ARG A 1 4.529 18.183 -6.030 1.00 0.00 O ATOM 5 CB ARG A 1 3.339 19.921 -8.221 1.00 0.00 C ATOM 6 CG ARG A 1 2.997 18.430 -8.521 1.00 0.00 C ATOM 7 CD ARG A 1 1.769 18.331 -9.435 1.00 0.00 C ATOM 8 NE ARG A 1 0.561 18.640 -8.679 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.630 18.705 -9.266 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.734 18.525 -10.553 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.692 18.953 -8.549 1.00 0.00 N ATOM 0 H1 ARG A 1 2.775 22.161 -6.948 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.472 21.824 -5.437 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.454 21.946 -6.816 1.00 0.00 H new ATOM 0 HA ARG A 1 2.420 19.830 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.603 20.571 -8.695 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.309 20.171 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.850 17.944 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.806 17.900 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.871 19.022 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.698 17.328 -9.856 1.00 0.00 H new ATOM 0 HE ARG A 1 0.632 18.810 -7.676 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.099 18.334 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.648 18.575 -11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.606 19.096 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.608 19.004 -8.995 1.00 0.00 H new ATOM 25 N GLU A 2 5.465 20.172 -5.503 1.00 0.00 N ATOM 26 CA GLU A 2 6.644 19.613 -4.828 1.00 0.00 C ATOM 27 C GLU A 2 6.378 18.227 -4.212 1.00 0.00 C ATOM 28 O GLU A 2 5.959 18.133 -3.058 1.00 0.00 O ATOM 29 CB GLU A 2 7.079 20.575 -3.717 1.00 0.00 C ATOM 30 CG GLU A 2 7.153 22.002 -4.277 1.00 0.00 C ATOM 31 CD GLU A 2 8.022 22.879 -3.379 1.00 0.00 C ATOM 32 OE1 GLU A 2 7.532 23.307 -2.348 1.00 0.00 O ATOM 33 OE2 GLU A 2 9.165 23.110 -3.739 1.00 0.00 O ATOM 0 H GLU A 2 5.444 21.192 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 2 7.424 19.491 -5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.372 20.534 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.050 20.277 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.564 21.983 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.151 22.424 -4.349 1.00 0.00 H new ATOM 40 N PRO A 3 6.639 17.156 -4.938 1.00 0.00 N ATOM 41 CA PRO A 3 6.464 15.767 -4.454 1.00 0.00 C ATOM 42 C PRO A 3 7.817 15.179 -4.056 1.00 0.00 C ATOM 43 O PRO A 3 8.785 15.924 -3.894 1.00 0.00 O ATOM 44 CB PRO A 3 5.903 15.076 -5.689 1.00 0.00 C ATOM 45 CG PRO A 3 6.561 15.776 -6.857 1.00 0.00 C ATOM 46 CD PRO A 3 7.131 17.110 -6.320 1.00 0.00 C ATOM 0 HA PRO A 3 5.828 15.668 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.134 14.011 -5.685 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.818 15.167 -5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.355 15.159 -7.279 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.840 15.957 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.220 17.127 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.777 17.962 -6.901 1.00 0.00 H new ATOM 54 N SER A 4 7.905 13.858 -3.909 1.00 0.00 N ATOM 55 CA SER A 4 9.184 13.256 -3.546 1.00 0.00 C ATOM 56 C SER A 4 9.156 11.722 -3.705 1.00 0.00 C ATOM 57 O SER A 4 8.090 11.111 -3.652 1.00 0.00 O ATOM 58 CB SER A 4 9.525 13.638 -2.099 1.00 0.00 C ATOM 59 OG SER A 4 10.130 12.531 -1.439 1.00 0.00 O ATOM 0 H SER A 4 7.133 13.203 -4.031 1.00 0.00 H new ATOM 0 HA SER A 4 9.951 13.636 -4.220 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.201 14.493 -2.088 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.621 13.939 -1.570 1.00 0.00 H new ATOM 0 HG SER A 4 10.348 12.779 -0.516 1.00 0.00 H new ATOM 65 N PRO A 5 10.307 11.098 -3.903 1.00 0.00 N ATOM 66 CA PRO A 5 10.422 9.612 -4.075 1.00 0.00 C ATOM 67 C PRO A 5 9.471 8.819 -3.160 1.00 0.00 C ATOM 68 O PRO A 5 8.852 9.393 -2.264 1.00 0.00 O ATOM 69 CB PRO A 5 11.882 9.337 -3.711 1.00 0.00 C ATOM 70 CG PRO A 5 12.622 10.569 -4.126 1.00 0.00 C ATOM 71 CD PRO A 5 11.634 11.743 -3.997 1.00 0.00 C ATOM 0 HA PRO A 5 10.145 9.298 -5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.994 9.150 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.259 8.456 -4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.496 10.727 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.982 10.477 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.846 12.346 -3.114 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.692 12.408 -4.859 1.00 0.00 H new ATOM 79 N PRO A 6 9.342 7.515 -3.353 1.00 0.00 N ATOM 80 CA PRO A 6 8.444 6.672 -2.508 1.00 0.00 C ATOM 81 C PRO A 6 8.698 6.793 -1.009 1.00 0.00 C ATOM 82 O PRO A 6 9.800 7.105 -0.557 1.00 0.00 O ATOM 83 CB PRO A 6 8.670 5.238 -3.014 1.00 0.00 C ATOM 84 CG PRO A 6 9.161 5.410 -4.405 1.00 0.00 C ATOM 85 CD PRO A 6 10.003 6.693 -4.393 1.00 0.00 C ATOM 0 HA PRO A 6 7.409 6.999 -2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.398 4.709 -2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.748 4.657 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.758 4.553 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.330 5.493 -5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.045 6.490 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.997 7.189 -5.364 1.00 0.00 H new ATOM 93 N SER A 7 7.623 6.578 -0.257 1.00 0.00 N ATOM 94 CA SER A 7 7.639 6.687 1.201 1.00 0.00 C ATOM 95 C SER A 7 6.885 5.514 1.819 1.00 0.00 C ATOM 96 O SER A 7 6.267 5.638 2.877 1.00 0.00 O ATOM 97 CB SER A 7 6.959 8.009 1.575 1.00 0.00 C ATOM 98 OG SER A 7 7.835 8.783 2.384 1.00 0.00 O ATOM 0 H SER A 7 6.713 6.323 -0.641 1.00 0.00 H new ATOM 0 HA SER A 7 8.662 6.667 1.576 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.696 8.562 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.030 7.813 2.111 1.00 0.00 H new ATOM 0 HG SER A 7 7.471 9.687 2.489 1.00 0.00 H new ATOM 104 N ILE A 8 6.916 4.392 1.130 1.00 0.00 N ATOM 105 CA ILE A 8 6.212 3.202 1.573 1.00 0.00 C ATOM 106 C ILE A 8 7.189 2.198 2.150 1.00 0.00 C ATOM 107 O ILE A 8 8.108 1.737 1.473 1.00 0.00 O ATOM 108 CB ILE A 8 5.487 2.588 0.375 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.652 3.668 -0.351 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.588 1.436 0.847 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.290 3.866 0.314 1.00 0.00 C ATOM 0 H ILE A 8 7.425 4.277 0.254 1.00 0.00 H new ATOM 0 HA ILE A 8 5.494 3.470 2.348 1.00 0.00 H new ATOM 0 HB ILE A 8 6.222 2.193 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.198 4.611 -0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.511 3.380 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.073 1.001 -0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.198 0.672 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.853 1.815 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.731 4.632 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.734 2.929 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.432 4.179 1.348 1.00 0.00 H new ATOM 123 N HIS A 9 6.977 1.870 3.413 1.00 0.00 N ATOM 124 CA HIS A 9 7.827 0.916 4.117 1.00 0.00 C ATOM 125 C HIS A 9 7.004 -0.309 4.494 1.00 0.00 C ATOM 126 O HIS A 9 6.053 -0.209 5.270 1.00 0.00 O ATOM 127 CB HIS A 9 8.375 1.579 5.378 1.00 0.00 C ATOM 128 CG HIS A 9 8.957 2.920 5.019 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.002 3.059 4.117 1.00 0.00 N ATOM 130 CD2 HIS A 9 8.635 4.190 5.421 1.00 0.00 C ATOM 131 CE1 HIS A 9 10.265 4.375 4.005 1.00 0.00 C ATOM 132 NE2 HIS A 9 9.461 5.109 4.779 1.00 0.00 N ATOM 0 H HIS A 9 6.219 2.252 3.978 1.00 0.00 H new ATOM 0 HA HIS A 9 8.654 0.608 3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 9 7.581 1.699 6.115 1.00 0.00 H new ATOM 0 HB3 HIS A 9 9.138 0.948 5.833 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.858 4.440 6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.033 4.787 3.367 1.00 0.00 H new ATOM 0 HE2 HIS A 9 9.454 6.124 4.878 1.00 0.00 H new ATOM 140 N GLY A 10 7.361 -1.463 3.936 1.00 0.00 N ATOM 141 CA GLY A 10 6.628 -2.697 4.214 1.00 0.00 C ATOM 142 C GLY A 10 7.282 -3.502 5.324 1.00 0.00 C ATOM 143 O GLY A 10 8.477 -3.379 5.588 1.00 0.00 O ATOM 0 H GLY A 10 8.146 -1.570 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.603 -2.456 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.576 -3.301 3.308 1.00 0.00 H new ATOM 147 N GLN A 11 6.469 -4.331 5.962 1.00 0.00 N ATOM 148 CA GLN A 11 6.925 -5.180 7.053 1.00 0.00 C ATOM 149 C GLN A 11 5.958 -6.361 7.184 1.00 0.00 C ATOM 150 O GLN A 11 4.744 -6.158 7.155 1.00 0.00 O ATOM 151 CB GLN A 11 6.947 -4.370 8.354 1.00 0.00 C ATOM 152 CG GLN A 11 7.532 -5.216 9.489 1.00 0.00 C ATOM 153 CD GLN A 11 7.426 -4.460 10.809 1.00 0.00 C ATOM 154 OE1 GLN A 11 6.675 -3.491 10.915 1.00 0.00 O ATOM 155 NE2 GLN A 11 8.151 -4.842 11.825 1.00 0.00 N ATOM 0 H GLN A 11 5.479 -4.434 5.739 1.00 0.00 H new ATOM 0 HA GLN A 11 7.931 -5.549 6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.542 -3.467 8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.937 -4.051 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.999 -6.164 9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.575 -5.452 9.278 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.773 -5.646 11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.096 -4.337 12.709 1.00 0.00 H new ATOM 164 N PRO A 12 6.436 -7.579 7.304 1.00 0.00 N ATOM 165 CA PRO A 12 5.532 -8.759 7.411 1.00 0.00 C ATOM 166 C PRO A 12 4.814 -8.813 8.756 1.00 0.00 C ATOM 167 O PRO A 12 5.236 -9.524 9.668 1.00 0.00 O ATOM 168 CB PRO A 12 6.475 -9.959 7.226 1.00 0.00 C ATOM 169 CG PRO A 12 7.815 -9.471 7.674 1.00 0.00 C ATOM 170 CD PRO A 12 7.857 -7.973 7.351 1.00 0.00 C ATOM 0 HA PRO A 12 4.730 -8.733 6.673 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.148 -10.813 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.501 -10.284 6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.955 -9.643 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.615 -10.003 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.401 -7.415 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.356 -7.783 6.401 1.00 0.00 H new ATOM 178 N SER A 13 3.720 -8.066 8.864 1.00 0.00 N ATOM 179 CA SER A 13 2.946 -8.049 10.094 1.00 0.00 C ATOM 180 C SER A 13 2.481 -9.461 10.421 1.00 0.00 C ATOM 181 O SER A 13 2.869 -10.419 9.755 1.00 0.00 O ATOM 182 CB SER A 13 1.731 -7.133 9.940 1.00 0.00 C ATOM 183 OG SER A 13 1.074 -7.015 11.196 1.00 0.00 O ATOM 0 H SER A 13 3.354 -7.471 8.121 1.00 0.00 H new ATOM 0 HA SER A 13 3.573 -7.673 10.903 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.043 -6.151 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.047 -7.538 9.195 1.00 0.00 H new ATOM 0 HG SER A 13 0.206 -7.469 11.155 1.00 0.00 H new ATOM 189 N SER A 14 1.651 -9.590 11.446 1.00 0.00 N ATOM 190 CA SER A 14 1.152 -10.902 11.829 1.00 0.00 C ATOM 191 C SER A 14 0.456 -11.569 10.646 1.00 0.00 C ATOM 192 O SER A 14 -0.503 -11.031 10.092 1.00 0.00 O ATOM 193 CB SER A 14 0.165 -10.771 12.990 1.00 0.00 C ATOM 194 OG SER A 14 -0.954 -10.004 12.568 1.00 0.00 O ATOM 0 H SER A 14 1.314 -8.816 12.019 1.00 0.00 H new ATOM 0 HA SER A 14 1.997 -11.515 12.140 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.159 -11.758 13.320 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.648 -10.293 13.842 1.00 0.00 H new ATOM 0 HG SER A 14 -1.027 -10.042 11.591 1.00 0.00 H new ATOM 200 N GLY A 15 0.936 -12.751 10.271 1.00 0.00 N ATOM 201 CA GLY A 15 0.347 -13.495 9.161 1.00 0.00 C ATOM 202 C GLY A 15 0.879 -13.021 7.812 1.00 0.00 C ATOM 203 O GLY A 15 1.991 -12.505 7.711 1.00 0.00 O ATOM 0 H GLY A 15 1.728 -13.213 10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.560 -14.557 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.737 -13.383 9.183 1.00 0.00 H new ATOM 207 N LYS A 16 0.067 -13.219 6.774 1.00 0.00 N ATOM 208 CA LYS A 16 0.442 -12.833 5.416 1.00 0.00 C ATOM 209 C LYS A 16 0.275 -11.334 5.212 1.00 0.00 C ATOM 210 O LYS A 16 0.682 -10.795 4.188 1.00 0.00 O ATOM 211 CB LYS A 16 -0.441 -13.591 4.405 1.00 0.00 C ATOM 212 CG LYS A 16 -0.763 -14.982 4.959 1.00 0.00 C ATOM 213 CD LYS A 16 -1.314 -15.890 3.854 1.00 0.00 C ATOM 214 CE LYS A 16 -2.722 -15.442 3.450 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.581 -15.337 4.665 1.00 0.00 N ATOM 0 H LYS A 16 -0.857 -13.645 6.849 1.00 0.00 H new ATOM 0 HA LYS A 16 1.490 -13.088 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.362 -13.037 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.074 -13.678 3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.136 -15.426 5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.492 -14.898 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.653 -15.861 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.339 -16.923 4.202 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.676 -14.480 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.154 -16.155 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.579 -15.455 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.315 -16.079 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.449 -14.403 5.104 1.00 0.00 H new ATOM 229 N SER A 17 -0.336 -10.669 6.179 1.00 0.00 N ATOM 230 CA SER A 17 -0.557 -9.237 6.068 1.00 0.00 C ATOM 231 C SER A 17 0.767 -8.476 6.047 1.00 0.00 C ATOM 232 O SER A 17 1.713 -8.841 6.745 1.00 0.00 O ATOM 233 CB SER A 17 -1.398 -8.757 7.247 1.00 0.00 C ATOM 234 OG SER A 17 -0.830 -9.239 8.457 1.00 0.00 O ATOM 0 H SER A 17 -0.684 -11.092 7.040 1.00 0.00 H new ATOM 0 HA SER A 17 -1.081 -9.044 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.439 -7.668 7.260 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.423 -9.113 7.146 1.00 0.00 H new ATOM 0 HG SER A 17 -1.214 -10.114 8.673 1.00 0.00 H new ATOM 240 N PHE A 18 0.821 -7.402 5.253 1.00 0.00 N ATOM 241 CA PHE A 18 2.028 -6.569 5.156 1.00 0.00 C ATOM 242 C PHE A 18 1.688 -5.139 5.562 1.00 0.00 C ATOM 243 O PHE A 18 0.756 -4.537 5.028 1.00 0.00 O ATOM 244 CB PHE A 18 2.582 -6.605 3.705 1.00 0.00 C ATOM 245 CG PHE A 18 4.061 -6.944 3.699 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.476 -8.283 3.738 1.00 0.00 C ATOM 247 CD2 PHE A 18 5.011 -5.919 3.648 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.844 -8.590 3.723 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.375 -6.232 3.633 1.00 0.00 C ATOM 250 CZ PHE A 18 6.790 -7.559 3.670 1.00 0.00 C ATOM 0 H PHE A 18 0.046 -7.088 4.669 1.00 0.00 H new ATOM 0 HA PHE A 18 2.795 -6.957 5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.033 -7.343 3.120 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.424 -5.638 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.744 -9.076 3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.693 -4.887 3.620 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.168 -9.620 3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.108 -5.440 3.593 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.844 -7.795 3.658 1.00 0.00 H new ATOM 260 N LYS A 19 2.443 -4.605 6.514 1.00 0.00 N ATOM 261 CA LYS A 19 2.213 -3.247 6.987 1.00 0.00 C ATOM 262 C LYS A 19 2.983 -2.247 6.138 1.00 0.00 C ATOM 263 O LYS A 19 4.174 -2.024 6.357 1.00 0.00 O ATOM 264 CB LYS A 19 2.671 -3.119 8.446 1.00 0.00 C ATOM 265 CG LYS A 19 2.344 -1.699 8.996 1.00 0.00 C ATOM 266 CD LYS A 19 3.580 -1.096 9.677 1.00 0.00 C ATOM 267 CE LYS A 19 3.281 0.342 10.112 1.00 0.00 C ATOM 268 NZ LYS A 19 4.487 0.912 10.777 1.00 0.00 N ATOM 0 H LYS A 19 3.216 -5.089 6.971 1.00 0.00 H new ATOM 0 HA LYS A 19 1.147 -3.035 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.177 -3.875 9.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.743 -3.304 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.017 -1.052 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.520 -1.758 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.860 -1.697 10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.428 -1.110 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.007 0.947 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.432 0.359 10.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.290 1.889 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.728 0.338 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.286 0.908 10.111 1.00 0.00 H new ATOM 282 N LEU A 20 2.301 -1.628 5.177 1.00 0.00 N ATOM 283 CA LEU A 20 2.942 -0.634 4.320 1.00 0.00 C ATOM 284 C LEU A 20 2.702 0.746 4.927 1.00 0.00 C ATOM 285 O LEU A 20 1.620 1.318 4.785 1.00 0.00 O ATOM 286 CB LEU A 20 2.379 -0.684 2.884 1.00 0.00 C ATOM 287 CG LEU A 20 2.066 -2.132 2.455 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.123 -2.105 1.254 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.357 -2.844 2.040 1.00 0.00 C ATOM 0 H LEU A 20 1.315 -1.795 4.973 1.00 0.00 H new ATOM 0 HA LEU A 20 4.009 -0.846 4.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.473 -0.081 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.099 -0.245 2.193 1.00 0.00 H new ATOM 0 HG LEU A 20 1.606 -2.659 3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.898 -3.126 0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.199 -1.596 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.599 -1.574 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.128 -3.866 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.813 -2.313 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.050 -2.861 2.881 1.00 0.00 H new ATOM 301 N SER A 21 3.703 1.258 5.629 1.00 0.00 N ATOM 302 CA SER A 21 3.583 2.552 6.283 1.00 0.00 C ATOM 303 C SER A 21 3.646 3.689 5.273 1.00 0.00 C ATOM 304 O SER A 21 4.658 3.869 4.594 1.00 0.00 O ATOM 305 CB SER A 21 4.712 2.725 7.297 1.00 0.00 C ATOM 306 OG SER A 21 4.471 3.892 8.071 1.00 0.00 O ATOM 0 H SER A 21 4.604 0.798 5.760 1.00 0.00 H new ATOM 0 HA SER A 21 2.617 2.585 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.772 1.851 7.945 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.669 2.807 6.783 1.00 0.00 H new ATOM 0 HG SER A 21 3.532 4.157 7.980 1.00 0.00 H new ATOM 312 N ILE A 22 2.577 4.483 5.196 1.00 0.00 N ATOM 313 CA ILE A 22 2.566 5.618 4.283 1.00 0.00 C ATOM 314 C ILE A 22 3.234 6.785 5.001 1.00 0.00 C ATOM 315 O ILE A 22 2.668 7.341 5.943 1.00 0.00 O ATOM 316 CB ILE A 22 1.115 6.015 3.892 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.150 4.829 4.034 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.080 6.496 2.440 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.489 3.722 3.035 1.00 0.00 C ATOM 0 H ILE A 22 1.725 4.362 5.744 1.00 0.00 H new ATOM 0 HA ILE A 22 3.094 5.356 3.366 1.00 0.00 H new ATOM 0 HB ILE A 22 0.800 6.811 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.200 4.435 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.874 5.167 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.060 6.773 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.732 7.362 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.423 5.696 1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.210 2.895 3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.415 4.113 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.504 3.369 3.214 1.00 0.00 H new ATOM 331 N THR A 23 4.437 7.150 4.576 1.00 0.00 N ATOM 332 CA THR A 23 5.149 8.248 5.229 1.00 0.00 C ATOM 333 C THR A 23 4.754 9.576 4.592 1.00 0.00 C ATOM 334 O THR A 23 4.786 9.725 3.377 1.00 0.00 O ATOM 335 CB THR A 23 6.669 8.010 5.147 1.00 0.00 C ATOM 336 OG1 THR A 23 7.039 7.050 6.126 1.00 0.00 O ATOM 337 CG2 THR A 23 7.435 9.313 5.409 1.00 0.00 C ATOM 0 H THR A 23 4.934 6.715 3.799 1.00 0.00 H new ATOM 0 HA THR A 23 4.873 8.287 6.283 1.00 0.00 H new ATOM 0 HB THR A 23 6.917 7.651 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.005 6.891 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.507 9.124 5.347 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.154 10.057 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.190 9.686 6.403 1.00 0.00 H new ATOM 345 N LYS A 24 4.373 10.526 5.434 1.00 0.00 N ATOM 346 CA LYS A 24 3.953 11.848 4.977 1.00 0.00 C ATOM 347 C LYS A 24 4.896 12.390 3.910 1.00 0.00 C ATOM 348 O LYS A 24 6.009 12.826 4.204 1.00 0.00 O ATOM 349 CB LYS A 24 3.926 12.796 6.183 1.00 0.00 C ATOM 350 CG LYS A 24 2.945 12.252 7.259 1.00 0.00 C ATOM 351 CD LYS A 24 3.508 12.486 8.674 1.00 0.00 C ATOM 352 CE LYS A 24 4.500 11.371 9.025 1.00 0.00 C ATOM 353 NZ LYS A 24 5.071 11.609 10.381 1.00 0.00 N ATOM 0 H LYS A 24 4.345 10.406 6.447 1.00 0.00 H new ATOM 0 HA LYS A 24 2.961 11.772 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.927 12.891 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.617 13.792 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.978 12.746 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.777 11.187 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.003 13.456 8.723 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.696 12.506 9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.998 10.404 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.300 11.337 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.743 10.850 10.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.565 12.524 10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.304 11.620 11.084 1.00 0.00 H new ATOM 367 N GLN A 25 4.419 12.372 2.668 1.00 0.00 N ATOM 368 CA GLN A 25 5.191 12.876 1.532 1.00 0.00 C ATOM 369 C GLN A 25 4.899 14.351 1.318 1.00 0.00 C ATOM 370 O GLN A 25 3.814 14.829 1.648 1.00 0.00 O ATOM 371 CB GLN A 25 4.811 12.114 0.255 1.00 0.00 C ATOM 372 CG GLN A 25 5.404 10.712 0.283 1.00 0.00 C ATOM 373 CD GLN A 25 4.855 9.892 -0.880 1.00 0.00 C ATOM 374 OE1 GLN A 25 3.659 9.603 -0.923 1.00 0.00 O ATOM 375 NE2 GLN A 25 5.658 9.494 -1.827 1.00 0.00 N ATOM 0 H GLN A 25 3.497 12.012 2.421 1.00 0.00 H new ATOM 0 HA GLN A 25 6.250 12.733 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.726 12.056 0.167 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.174 12.653 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.491 10.766 0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.164 10.225 1.228 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.649 9.734 -1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.296 8.943 -2.605 1.00 0.00 H new ATOM 384 N ASP A 26 5.851 15.066 0.738 1.00 0.00 N ATOM 385 CA ASP A 26 5.633 16.473 0.471 1.00 0.00 C ATOM 386 C ASP A 26 4.400 16.610 -0.408 1.00 0.00 C ATOM 387 O ASP A 26 4.446 16.339 -1.609 1.00 0.00 O ATOM 388 CB ASP A 26 6.854 17.074 -0.229 1.00 0.00 C ATOM 389 CG ASP A 26 8.103 16.804 0.603 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.237 15.693 1.087 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.904 17.713 0.748 1.00 0.00 O ATOM 0 H ASP A 26 6.760 14.704 0.450 1.00 0.00 H new ATOM 0 HA ASP A 26 5.482 17.010 1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.966 16.641 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.718 18.147 -0.362 1.00 0.00 H new ATOM 396 N ASP A 27 3.289 17.006 0.202 1.00 0.00 N ATOM 397 CA ASP A 27 2.043 17.145 -0.534 1.00 0.00 C ATOM 398 C ASP A 27 2.223 18.118 -1.686 1.00 0.00 C ATOM 399 O ASP A 27 2.983 19.081 -1.582 1.00 0.00 O ATOM 400 CB ASP A 27 0.933 17.630 0.398 1.00 0.00 C ATOM 401 CG ASP A 27 1.277 19.009 0.952 1.00 0.00 C ATOM 402 OD1 ASP A 27 2.373 19.476 0.689 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.437 19.578 1.628 1.00 0.00 O ATOM 0 H ASP A 27 3.227 17.234 1.194 1.00 0.00 H new ATOM 0 HA ASP A 27 1.762 16.172 -0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.013 17.672 -0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.801 16.923 1.217 1.00 0.00 H new ATOM 408 N GLY A 28 1.537 17.852 -2.790 1.00 0.00 N ATOM 409 CA GLY A 28 1.654 18.706 -3.960 1.00 0.00 C ATOM 410 C GLY A 28 1.623 20.179 -3.559 1.00 0.00 C ATOM 411 O GLY A 28 2.452 20.971 -4.011 1.00 0.00 O ATOM 0 H GLY A 28 0.902 17.061 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.584 18.486 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.839 18.495 -4.653 1.00 0.00 H new ATOM 415 N GLY A 29 0.670 20.537 -2.702 1.00 0.00 N ATOM 416 CA GLY A 29 0.557 21.917 -2.245 1.00 0.00 C ATOM 417 C GLY A 29 -0.643 22.128 -1.317 1.00 0.00 C ATOM 418 O GLY A 29 -1.079 23.262 -1.114 1.00 0.00 O ATOM 0 H GLY A 29 -0.026 19.900 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.471 22.200 -1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.466 22.576 -3.108 1.00 0.00 H new ATOM 422 N ALA A 30 -1.175 21.046 -0.745 1.00 0.00 N ATOM 423 CA ALA A 30 -2.314 21.167 0.162 1.00 0.00 C ATOM 424 C ALA A 30 -2.403 19.936 1.067 1.00 0.00 C ATOM 425 O ALA A 30 -1.913 18.863 0.714 1.00 0.00 O ATOM 426 CB ALA A 30 -3.611 21.327 -0.655 1.00 0.00 C ATOM 0 H ALA A 30 -0.842 20.093 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.179 22.047 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.459 21.417 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.544 22.222 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.748 20.455 -1.294 1.00 0.00 H new ATOM 432 N PRO A 31 -3.028 20.064 2.212 1.00 0.00 N ATOM 433 CA PRO A 31 -3.186 18.926 3.160 1.00 0.00 C ATOM 434 C PRO A 31 -4.045 17.821 2.549 1.00 0.00 C ATOM 435 O PRO A 31 -4.980 18.092 1.796 1.00 0.00 O ATOM 436 CB PRO A 31 -3.847 19.561 4.396 1.00 0.00 C ATOM 437 CG PRO A 31 -4.517 20.799 3.886 1.00 0.00 C ATOM 438 CD PRO A 31 -3.653 21.294 2.727 1.00 0.00 C ATOM 0 HA PRO A 31 -2.241 18.443 3.409 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.568 18.881 4.851 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.107 19.799 5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.532 20.585 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.591 21.554 4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.252 21.789 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.906 22.013 3.062 1.00 0.00 H new ATOM 446 N ILE A 32 -3.703 16.574 2.859 1.00 0.00 N ATOM 447 CA ILE A 32 -4.428 15.428 2.315 1.00 0.00 C ATOM 448 C ILE A 32 -5.561 14.996 3.238 1.00 0.00 C ATOM 449 O ILE A 32 -5.347 14.687 4.411 1.00 0.00 O ATOM 450 CB ILE A 32 -3.450 14.264 2.110 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.479 14.589 0.935 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.235 12.972 1.815 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.040 14.194 1.284 1.00 0.00 C ATOM 0 H ILE A 32 -2.932 16.331 3.481 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.869 15.719 1.362 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.864 14.120 3.018 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.798 14.058 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.522 15.654 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.537 12.147 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.894 12.747 2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.831 13.106 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.384 14.432 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.715 14.745 2.167 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.995 13.124 1.487 1.00 0.00 H new ATOM 465 N LEU A 33 -6.763 14.954 2.680 1.00 0.00 N ATOM 466 CA LEU A 33 -7.932 14.530 3.434 1.00 0.00 C ATOM 467 C LEU A 33 -7.874 13.029 3.686 1.00 0.00 C ATOM 468 O LEU A 33 -8.206 12.556 4.772 1.00 0.00 O ATOM 469 CB LEU A 33 -9.206 14.871 2.656 1.00 0.00 C ATOM 470 CG LEU A 33 -9.191 16.349 2.247 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.387 16.630 1.335 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.273 17.240 3.495 1.00 0.00 C ATOM 0 H LEU A 33 -6.953 15.208 1.710 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.943 15.053 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.281 14.241 1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.083 14.664 3.269 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.264 16.568 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.382 17.680 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.321 16.004 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.311 16.407 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.262 18.288 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.196 17.027 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.420 17.039 4.143 1.00 0.00 H new ATOM 484 N GLU A 34 -7.453 12.288 2.662 1.00 0.00 N ATOM 485 CA GLU A 34 -7.359 10.837 2.762 1.00 0.00 C ATOM 486 C GLU A 34 -6.355 10.277 1.759 1.00 0.00 C ATOM 487 O GLU A 34 -5.859 10.990 0.886 1.00 0.00 O ATOM 488 CB GLU A 34 -8.728 10.207 2.497 1.00 0.00 C ATOM 489 CG GLU A 34 -9.365 10.859 1.270 1.00 0.00 C ATOM 490 CD GLU A 34 -10.691 10.179 0.951 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.631 10.377 1.703 1.00 0.00 O ATOM 492 OE2 GLU A 34 -10.746 9.466 -0.038 1.00 0.00 O ATOM 0 H GLU A 34 -7.173 12.669 1.758 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.022 10.594 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.621 9.134 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.373 10.336 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.526 11.921 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.692 10.782 0.416 1.00 0.00 H new ATOM 499 N TYR A 35 -6.079 8.983 1.893 1.00 0.00 N ATOM 500 CA TYR A 35 -5.150 8.280 1.010 1.00 0.00 C ATOM 501 C TYR A 35 -5.871 7.130 0.309 1.00 0.00 C ATOM 502 O TYR A 35 -6.271 6.159 0.948 1.00 0.00 O ATOM 503 CB TYR A 35 -3.988 7.711 1.842 1.00 0.00 C ATOM 504 CG TYR A 35 -2.877 8.714 1.998 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.118 9.885 2.703 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.614 8.451 1.483 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.089 10.812 2.896 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.576 9.375 1.665 1.00 0.00 C ATOM 509 CZ TYR A 35 -0.813 10.556 2.377 1.00 0.00 C ATOM 510 OH TYR A 35 0.209 11.462 2.575 1.00 0.00 O ATOM 0 H TYR A 35 -6.491 8.392 2.615 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.767 8.977 0.265 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.354 7.416 2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.602 6.811 1.362 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.102 10.081 3.103 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.432 7.534 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.277 11.723 3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.404 9.176 1.257 1.00 0.00 H new ATOM 0 HH TYR A 35 1.027 11.130 2.151 1.00 0.00 H new ATOM 520 N ILE A 36 -6.008 7.228 -1.005 1.00 0.00 N ATOM 521 CA ILE A 36 -6.653 6.173 -1.775 1.00 0.00 C ATOM 522 C ILE A 36 -5.597 5.168 -2.201 1.00 0.00 C ATOM 523 O ILE A 36 -4.680 5.499 -2.953 1.00 0.00 O ATOM 524 CB ILE A 36 -7.322 6.773 -3.007 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.377 7.788 -2.564 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.989 5.658 -3.813 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.881 8.579 -3.774 1.00 0.00 C ATOM 0 H ILE A 36 -5.684 8.021 -1.558 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.411 5.679 -1.168 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.576 7.271 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.209 7.274 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.952 8.468 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.468 6.083 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.236 4.933 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.738 5.162 -3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.632 9.300 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.047 9.107 -4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.323 7.894 -4.498 1.00 0.00 H new ATOM 539 N VAL A 37 -5.718 3.945 -1.695 1.00 0.00 N ATOM 540 CA VAL A 37 -4.749 2.896 -1.996 1.00 0.00 C ATOM 541 C VAL A 37 -5.388 1.813 -2.849 1.00 0.00 C ATOM 542 O VAL A 37 -6.443 1.284 -2.501 1.00 0.00 O ATOM 543 CB VAL A 37 -4.277 2.278 -0.675 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.328 1.102 -0.957 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.586 3.356 0.201 1.00 0.00 C ATOM 0 H VAL A 37 -6.475 3.656 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.910 3.325 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.139 1.898 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.997 0.668 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.851 0.345 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.463 1.459 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.255 2.907 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.726 3.761 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.292 4.159 0.414 1.00 0.00 H new ATOM 555 N LYS A 38 -4.737 1.476 -3.963 1.00 0.00 N ATOM 556 CA LYS A 38 -5.247 0.437 -4.853 1.00 0.00 C ATOM 557 C LYS A 38 -4.182 -0.634 -5.053 1.00 0.00 C ATOM 558 O LYS A 38 -3.041 -0.328 -5.386 1.00 0.00 O ATOM 559 CB LYS A 38 -5.645 1.037 -6.204 1.00 0.00 C ATOM 560 CG LYS A 38 -6.723 2.107 -5.986 1.00 0.00 C ATOM 561 CD LYS A 38 -7.234 2.632 -7.339 1.00 0.00 C ATOM 562 CE LYS A 38 -8.291 1.678 -7.915 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.942 2.313 -9.096 1.00 0.00 N ATOM 0 H LYS A 38 -3.863 1.904 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.131 -0.012 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.774 1.476 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.020 0.256 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.551 1.688 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.315 2.930 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.662 3.627 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.402 2.729 -8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.826 0.736 -8.205 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.038 1.445 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.658 1.668 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.398 3.201 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.225 2.514 -9.822 1.00 0.00 H new ATOM 577 N TYR A 39 -4.553 -1.893 -4.834 1.00 0.00 N ATOM 578 CA TYR A 39 -3.606 -3.004 -4.975 1.00 0.00 C ATOM 579 C TYR A 39 -4.238 -4.163 -5.737 1.00 0.00 C ATOM 580 O TYR A 39 -5.456 -4.330 -5.728 1.00 0.00 O ATOM 581 CB TYR A 39 -3.175 -3.480 -3.584 1.00 0.00 C ATOM 582 CG TYR A 39 -4.385 -3.955 -2.812 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.233 -3.030 -2.189 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.658 -5.326 -2.720 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.353 -3.479 -1.476 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.775 -5.773 -2.006 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.623 -4.849 -1.384 1.00 0.00 C ATOM 588 OH TYR A 39 -7.722 -5.292 -0.674 1.00 0.00 O ATOM 0 H TYR A 39 -5.495 -2.172 -4.560 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.739 -2.655 -5.536 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.449 -4.288 -3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.684 -2.668 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.024 -1.973 -2.258 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.005 -6.039 -3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -7.008 -2.767 -0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.983 -6.830 -1.935 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.763 -6.270 -0.712 1.00 0.00 H new ATOM 598 N ARG A 40 -3.396 -4.966 -6.395 1.00 0.00 N ATOM 599 CA ARG A 40 -3.879 -6.114 -7.160 1.00 0.00 C ATOM 600 C ARG A 40 -2.878 -7.262 -7.135 1.00 0.00 C ATOM 601 O ARG A 40 -1.742 -7.100 -6.694 1.00 0.00 O ATOM 602 CB ARG A 40 -4.131 -5.733 -8.621 1.00 0.00 C ATOM 603 CG ARG A 40 -2.839 -5.227 -9.304 1.00 0.00 C ATOM 604 CD ARG A 40 -2.926 -5.516 -10.808 1.00 0.00 C ATOM 605 NE ARG A 40 -1.827 -4.894 -11.535 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.610 -5.427 -11.531 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.374 -6.497 -10.822 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.340 -4.893 -12.248 1.00 0.00 N ATOM 0 H ARG A 40 -2.384 -4.842 -6.412 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.810 -6.432 -6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.516 -6.597 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.897 -4.959 -8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.716 -4.158 -9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.967 -5.721 -8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.910 -6.593 -10.974 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.875 -5.147 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.995 -4.034 -12.057 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.122 -6.921 -10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.559 -6.909 -10.816 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.149 -4.065 -12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.274 -5.303 -12.244 1.00 0.00 H new ATOM 622 N SER A 41 -3.302 -8.405 -7.657 1.00 0.00 N ATOM 623 CA SER A 41 -2.433 -9.569 -7.742 1.00 0.00 C ATOM 624 C SER A 41 -1.527 -9.441 -8.967 1.00 0.00 C ATOM 625 O SER A 41 -1.980 -9.028 -10.036 1.00 0.00 O ATOM 626 CB SER A 41 -3.282 -10.833 -7.857 1.00 0.00 C ATOM 627 OG SER A 41 -4.082 -10.968 -6.689 1.00 0.00 O ATOM 0 H SER A 41 -4.241 -8.550 -8.027 1.00 0.00 H new ATOM 0 HA SER A 41 -1.818 -9.630 -6.844 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.916 -10.780 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.641 -11.706 -7.976 1.00 0.00 H new ATOM 0 HG SER A 41 -3.568 -10.681 -5.906 1.00 0.00 H new ATOM 633 N LYS A 42 -0.252 -9.785 -8.817 1.00 0.00 N ATOM 634 CA LYS A 42 0.689 -9.689 -9.935 1.00 0.00 C ATOM 635 C LYS A 42 0.301 -10.626 -11.077 1.00 0.00 C ATOM 636 O LYS A 42 0.595 -10.347 -12.239 1.00 0.00 O ATOM 637 CB LYS A 42 2.124 -9.986 -9.465 1.00 0.00 C ATOM 638 CG LYS A 42 2.680 -8.760 -8.729 1.00 0.00 C ATOM 639 CD LYS A 42 4.147 -8.977 -8.360 1.00 0.00 C ATOM 640 CE LYS A 42 4.638 -7.778 -7.547 1.00 0.00 C ATOM 641 NZ LYS A 42 6.024 -8.039 -7.063 1.00 0.00 N ATOM 0 H LYS A 42 0.153 -10.129 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 42 0.647 -8.667 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.131 -10.854 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.756 -10.229 -10.319 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.584 -7.876 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.096 -8.574 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.258 -9.895 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.749 -9.093 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.619 -6.877 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.973 -7.602 -6.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.308 -7.289 -6.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.055 -8.959 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.678 -8.052 -7.872 1.00 0.00 H new ATOM 655 N ASP A 43 -0.349 -11.736 -10.749 1.00 0.00 N ATOM 656 CA ASP A 43 -0.757 -12.695 -11.772 1.00 0.00 C ATOM 657 C ASP A 43 -1.757 -12.076 -12.742 1.00 0.00 C ATOM 658 O ASP A 43 -1.829 -12.466 -13.907 1.00 0.00 O ATOM 659 CB ASP A 43 -1.392 -13.928 -11.134 1.00 0.00 C ATOM 660 CG ASP A 43 -1.816 -14.908 -12.225 1.00 0.00 C ATOM 661 OD1 ASP A 43 -0.958 -15.315 -12.993 1.00 0.00 O ATOM 662 OD2 ASP A 43 -2.991 -15.231 -12.282 1.00 0.00 O ATOM 0 H ASP A 43 -0.603 -11.994 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 43 0.141 -12.984 -12.318 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.683 -14.406 -10.457 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.256 -13.637 -10.537 1.00 0.00 H new ATOM 667 N LYS A 44 -2.560 -11.142 -12.240 1.00 0.00 N ATOM 668 CA LYS A 44 -3.592 -10.502 -13.044 1.00 0.00 C ATOM 669 C LYS A 44 -3.378 -8.999 -13.134 1.00 0.00 C ATOM 670 O LYS A 44 -2.521 -8.424 -12.460 1.00 0.00 O ATOM 671 CB LYS A 44 -4.941 -10.776 -12.398 1.00 0.00 C ATOM 672 CG LYS A 44 -5.216 -12.283 -12.441 1.00 0.00 C ATOM 673 CD LYS A 44 -6.365 -12.636 -11.486 1.00 0.00 C ATOM 674 CE LYS A 44 -5.885 -12.551 -10.026 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.740 -13.422 -9.171 1.00 0.00 N ATOM 0 H LYS A 44 -2.514 -10.812 -11.276 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.550 -10.908 -14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.944 -10.422 -11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.727 -10.234 -12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.471 -12.585 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.318 -12.833 -12.161 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.201 -11.954 -11.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.730 -13.641 -11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.843 -12.864 -9.956 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.932 -11.520 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.416 -13.365 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.728 -13.104 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.673 -14.406 -9.501 1.00 0.00 H new ATOM 689 N GLU A 45 -4.177 -8.386 -13.986 1.00 0.00 N ATOM 690 CA GLU A 45 -4.127 -6.941 -14.214 1.00 0.00 C ATOM 691 C GLU A 45 -5.497 -6.414 -14.658 1.00 0.00 C ATOM 692 O GLU A 45 -5.638 -5.238 -14.993 1.00 0.00 O ATOM 693 CB GLU A 45 -3.100 -6.607 -15.301 1.00 0.00 C ATOM 694 CG GLU A 45 -1.678 -6.892 -14.806 1.00 0.00 C ATOM 695 CD GLU A 45 -0.671 -6.437 -15.857 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.388 -7.214 -16.753 1.00 0.00 O ATOM 697 OE2 GLU A 45 -0.203 -5.316 -15.753 1.00 0.00 O ATOM 0 H GLU A 45 -4.882 -8.869 -14.543 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.841 -6.467 -13.275 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.304 -7.196 -16.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.189 -5.558 -15.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.498 -6.371 -13.866 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.557 -7.957 -14.609 1.00 0.00 H new ATOM 704 N ASP A 46 -6.502 -7.292 -14.671 1.00 0.00 N ATOM 705 CA ASP A 46 -7.850 -6.906 -15.091 1.00 0.00 C ATOM 706 C ASP A 46 -8.686 -6.427 -13.909 1.00 0.00 C ATOM 707 O ASP A 46 -9.844 -6.042 -14.079 1.00 0.00 O ATOM 708 CB ASP A 46 -8.543 -8.097 -15.751 1.00 0.00 C ATOM 709 CG ASP A 46 -9.831 -7.644 -16.431 1.00 0.00 C ATOM 710 OD1 ASP A 46 -9.962 -6.455 -16.674 1.00 0.00 O ATOM 711 OD2 ASP A 46 -10.669 -8.491 -16.692 1.00 0.00 O ATOM 0 H ASP A 46 -6.409 -8.270 -14.397 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.759 -6.084 -15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.878 -8.555 -16.483 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.766 -8.858 -15.003 1.00 0.00 H new ATOM 716 N GLN A 47 -8.105 -6.454 -12.711 1.00 0.00 N ATOM 717 CA GLN A 47 -8.824 -6.021 -11.509 1.00 0.00 C ATOM 718 C GLN A 47 -7.911 -5.238 -10.571 1.00 0.00 C ATOM 719 O GLN A 47 -6.755 -5.605 -10.354 1.00 0.00 O ATOM 720 CB GLN A 47 -9.386 -7.240 -10.769 1.00 0.00 C ATOM 721 CG GLN A 47 -10.560 -7.837 -11.553 1.00 0.00 C ATOM 722 CD GLN A 47 -11.739 -6.868 -11.563 1.00 0.00 C ATOM 723 OE1 GLN A 47 -12.224 -6.468 -10.504 1.00 0.00 O ATOM 724 NE2 GLN A 47 -12.228 -6.463 -12.701 1.00 0.00 N ATOM 0 H GLN A 47 -7.149 -6.767 -12.545 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.639 -5.369 -11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.605 -7.990 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.715 -6.950 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.250 -8.054 -12.575 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.862 -8.783 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.825 -6.796 -13.577 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.014 -5.813 -12.716 1.00 0.00 H new ATOM 733 N TRP A 48 -8.454 -4.160 -10.008 1.00 0.00 N ATOM 734 CA TRP A 48 -7.714 -3.312 -9.072 1.00 0.00 C ATOM 735 C TRP A 48 -8.588 -2.987 -7.862 1.00 0.00 C ATOM 736 O TRP A 48 -9.538 -2.208 -7.952 1.00 0.00 O ATOM 737 CB TRP A 48 -7.262 -2.012 -9.769 1.00 0.00 C ATOM 738 CG TRP A 48 -5.962 -2.221 -10.492 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.831 -2.633 -11.775 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.610 -2.008 -9.991 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.481 -2.692 -12.089 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.689 -2.316 -11.019 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.101 -1.584 -8.751 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.307 -2.202 -10.821 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.721 -1.470 -8.550 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.824 -1.779 -9.580 1.00 0.00 C ATOM 0 H TRP A 48 -9.410 -3.851 -10.185 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.828 -3.850 -8.734 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.027 -1.686 -10.474 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.150 -1.218 -9.031 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.644 -2.876 -12.444 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.117 -2.978 -12.998 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.781 -1.344 -7.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.621 -2.439 -11.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.345 -1.141 -7.593 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.760 -1.690 -9.415 1.00 0.00 H new ATOM 757 N LEU A 49 -8.244 -3.587 -6.726 1.00 0.00 N ATOM 758 CA LEU A 49 -8.982 -3.364 -5.486 1.00 0.00 C ATOM 759 C LEU A 49 -8.696 -1.962 -4.968 1.00 0.00 C ATOM 760 O LEU A 49 -7.693 -1.362 -5.339 1.00 0.00 O ATOM 761 CB LEU A 49 -8.563 -4.390 -4.431 1.00 0.00 C ATOM 762 CG LEU A 49 -8.795 -5.816 -4.953 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.324 -6.824 -3.896 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.291 -6.034 -5.246 1.00 0.00 C ATOM 0 H LEU A 49 -7.458 -4.232 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.048 -3.472 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.511 -4.254 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.133 -4.233 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.231 -5.959 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.487 -7.838 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.262 -6.675 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.888 -6.676 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.445 -7.048 -5.616 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.866 -5.890 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.622 -5.319 -5.999 1.00 0.00 H new ATOM 776 N GLU A 50 -9.579 -1.442 -4.113 1.00 0.00 N ATOM 777 CA GLU A 50 -9.402 -0.097 -3.548 1.00 0.00 C ATOM 778 C GLU A 50 -9.419 -0.139 -2.024 1.00 0.00 C ATOM 779 O GLU A 50 -10.114 -0.958 -1.421 1.00 0.00 O ATOM 780 CB GLU A 50 -10.516 0.832 -4.036 1.00 0.00 C ATOM 781 CG GLU A 50 -11.873 0.162 -3.819 1.00 0.00 C ATOM 782 CD GLU A 50 -12.094 -0.925 -4.866 1.00 0.00 C ATOM 783 OE1 GLU A 50 -12.004 -0.613 -6.043 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.340 -2.054 -4.477 1.00 0.00 O ATOM 0 H GLU A 50 -10.419 -1.926 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.435 0.281 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.476 1.779 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.376 1.060 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.918 -0.270 -2.819 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.668 0.905 -3.881 1.00 0.00 H new ATOM 791 N LYS A 51 -8.647 0.757 -1.408 1.00 0.00 N ATOM 792 CA LYS A 51 -8.566 0.843 0.050 1.00 0.00 C ATOM 793 C LYS A 51 -8.388 2.310 0.446 1.00 0.00 C ATOM 794 O LYS A 51 -7.346 2.909 0.189 1.00 0.00 O ATOM 795 CB LYS A 51 -7.388 -0.046 0.528 1.00 0.00 C ATOM 796 CG LYS A 51 -6.935 0.262 1.988 1.00 0.00 C ATOM 797 CD LYS A 51 -7.605 -0.696 2.993 1.00 0.00 C ATOM 798 CE LYS A 51 -9.113 -0.439 3.059 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.636 -0.926 4.367 1.00 0.00 N ATOM 0 H LYS A 51 -8.066 1.436 -1.899 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.476 0.480 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.682 -1.094 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.541 0.092 -0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.851 0.171 2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.187 1.292 2.240 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.419 -1.729 2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.164 -0.562 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.318 0.626 2.945 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.617 -0.950 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.660 -0.754 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.452 -1.946 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.161 -0.419 5.141 1.00 0.00 H new ATOM 813 N LYS A 52 -9.412 2.879 1.083 1.00 0.00 N ATOM 814 CA LYS A 52 -9.362 4.274 1.515 1.00 0.00 C ATOM 815 C LYS A 52 -8.672 4.373 2.871 1.00 0.00 C ATOM 816 O LYS A 52 -8.839 3.501 3.724 1.00 0.00 O ATOM 817 CB LYS A 52 -10.784 4.837 1.628 1.00 0.00 C ATOM 818 CG LYS A 52 -11.566 4.617 0.322 1.00 0.00 C ATOM 819 CD LYS A 52 -11.045 5.526 -0.798 1.00 0.00 C ATOM 820 CE LYS A 52 -11.895 5.311 -2.052 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.387 6.182 -3.150 1.00 0.00 N ATOM 0 H LYS A 52 -10.282 2.397 1.310 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.801 4.850 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.306 4.355 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.741 5.902 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.482 3.574 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.624 4.815 0.491 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.090 6.570 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.999 5.301 -1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.857 4.265 -2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.939 5.544 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.145 6.344 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.078 7.093 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.583 5.717 -3.618 1.00 0.00 H new ATOM 835 N VAL A 53 -7.877 5.430 3.064 1.00 0.00 N ATOM 836 CA VAL A 53 -7.153 5.619 4.318 1.00 0.00 C ATOM 837 C VAL A 53 -7.230 7.064 4.790 1.00 0.00 C ATOM 838 O VAL A 53 -7.437 7.983 4.001 1.00 0.00 O ATOM 839 CB VAL A 53 -5.698 5.215 4.127 1.00 0.00 C ATOM 840 CG1 VAL A 53 -4.957 5.281 5.460 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.629 3.800 3.571 1.00 0.00 C ATOM 0 H VAL A 53 -7.721 6.162 2.371 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.616 4.992 5.080 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.227 5.903 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.917 4.990 5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.998 6.298 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.427 4.602 6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.586 3.513 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.107 3.112 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.144 3.761 2.611 1.00 0.00 H new ATOM 851 N GLN A 54 -7.059 7.242 6.092 1.00 0.00 N ATOM 852 CA GLN A 54 -7.098 8.566 6.700 1.00 0.00 C ATOM 853 C GLN A 54 -5.778 9.283 6.457 1.00 0.00 C ATOM 854 O GLN A 54 -4.725 8.648 6.402 1.00 0.00 O ATOM 855 CB GLN A 54 -7.340 8.427 8.204 1.00 0.00 C ATOM 856 CG GLN A 54 -7.760 9.774 8.791 1.00 0.00 C ATOM 857 CD GLN A 54 -9.199 10.086 8.400 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.500 11.194 7.956 1.00 0.00 O ATOM 859 NE2 GLN A 54 -10.115 9.167 8.540 1.00 0.00 N ATOM 0 H GLN A 54 -6.891 6.482 6.752 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.906 9.146 6.254 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.114 7.683 8.389 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.434 8.073 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.666 9.752 9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.097 10.560 8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.865 8.249 8.908 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.081 9.367 8.281 1.00 0.00 H new ATOM 868 N GLY A 55 -5.832 10.601 6.303 1.00 0.00 N ATOM 869 CA GLY A 55 -4.619 11.368 6.057 1.00 0.00 C ATOM 870 C GLY A 55 -3.713 11.367 7.284 1.00 0.00 C ATOM 871 O GLY A 55 -2.588 11.868 7.236 1.00 0.00 O ATOM 0 H GLY A 55 -6.689 11.153 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.085 10.947 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.880 12.393 5.794 1.00 0.00 H new ATOM 875 N ASN A 56 -4.210 10.806 8.388 1.00 0.00 N ATOM 876 CA ASN A 56 -3.441 10.748 9.635 1.00 0.00 C ATOM 877 C ASN A 56 -3.041 9.313 9.974 1.00 0.00 C ATOM 878 O ASN A 56 -2.172 9.089 10.816 1.00 0.00 O ATOM 879 CB ASN A 56 -4.279 11.325 10.777 1.00 0.00 C ATOM 880 CG ASN A 56 -4.563 12.798 10.511 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.669 13.542 10.108 1.00 0.00 O ATOM 882 ND2 ASN A 56 -5.767 13.266 10.703 1.00 0.00 N ATOM 0 H ASN A 56 -5.138 10.386 8.445 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.532 11.334 9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.215 10.775 10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.749 11.212 11.723 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.967 14.249 10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.507 12.648 11.037 1.00 0.00 H new ATOM 889 N LYS A 57 -3.681 8.341 9.328 1.00 0.00 N ATOM 890 CA LYS A 57 -3.365 6.938 9.596 1.00 0.00 C ATOM 891 C LYS A 57 -1.908 6.644 9.234 1.00 0.00 C ATOM 892 O LYS A 57 -1.164 6.066 10.026 1.00 0.00 O ATOM 893 CB LYS A 57 -4.313 6.030 8.779 1.00 0.00 C ATOM 894 CG LYS A 57 -5.420 5.460 9.680 1.00 0.00 C ATOM 895 CD LYS A 57 -6.445 4.710 8.828 1.00 0.00 C ATOM 896 CE LYS A 57 -7.561 4.179 9.730 1.00 0.00 C ATOM 897 NZ LYS A 57 -6.985 3.226 10.718 1.00 0.00 N ATOM 0 H LYS A 57 -4.408 8.492 8.628 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.503 6.737 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.757 6.599 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.747 5.215 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.988 4.788 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.908 6.267 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.860 5.374 8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.964 3.886 8.302 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.050 5.005 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.323 3.682 9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.737 2.608 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.254 2.647 10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.560 3.757 11.505 1.00 0.00 H new ATOM 911 N ASP A 58 -1.512 7.058 8.039 1.00 0.00 N ATOM 912 CA ASP A 58 -0.147 6.849 7.585 1.00 0.00 C ATOM 913 C ASP A 58 0.260 5.378 7.697 1.00 0.00 C ATOM 914 O ASP A 58 1.410 5.074 8.012 1.00 0.00 O ATOM 915 CB ASP A 58 0.809 7.710 8.413 1.00 0.00 C ATOM 916 CG ASP A 58 0.611 9.182 8.067 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.495 9.483 6.890 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.584 9.987 8.982 1.00 0.00 O ATOM 0 H ASP A 58 -2.114 7.538 7.370 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.092 7.137 6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.629 7.550 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.840 7.416 8.216 1.00 0.00 H new ATOM 923 N HIS A 59 -0.683 4.466 7.441 1.00 0.00 N ATOM 924 CA HIS A 59 -0.394 3.028 7.524 1.00 0.00 C ATOM 925 C HIS A 59 -1.637 2.209 7.159 1.00 0.00 C ATOM 926 O HIS A 59 -2.767 2.667 7.327 1.00 0.00 O ATOM 927 CB HIS A 59 0.120 2.662 8.953 1.00 0.00 C ATOM 928 CG HIS A 59 -0.923 1.914 9.753 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.873 2.561 10.529 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.169 0.573 9.904 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.637 1.614 11.108 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.250 0.384 10.758 1.00 0.00 N ATOM 0 H HIS A 59 -1.642 4.692 7.178 1.00 0.00 H new ATOM 0 HA HIS A 59 0.390 2.785 6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.020 2.053 8.870 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.400 3.573 9.483 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.607 -0.218 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -3.461 1.824 11.774 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.659 -0.502 11.053 1.00 0.00 H new ATOM 940 N ILE A 60 -1.414 0.987 6.678 1.00 0.00 N ATOM 941 CA ILE A 60 -2.518 0.097 6.309 1.00 0.00 C ATOM 942 C ILE A 60 -2.082 -1.362 6.394 1.00 0.00 C ATOM 943 O ILE A 60 -0.935 -1.702 6.103 1.00 0.00 O ATOM 944 CB ILE A 60 -3.015 0.406 4.872 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.897 1.106 4.100 1.00 0.00 C ATOM 946 CG2 ILE A 60 -4.257 1.302 4.890 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.291 1.225 2.631 1.00 0.00 C ATOM 0 H ILE A 60 -0.485 0.591 6.535 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.334 0.267 7.011 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.283 -0.534 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.715 2.095 4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.968 0.544 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.579 1.499 3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.059 0.801 5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.019 2.244 5.383 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.494 1.724 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.451 0.230 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.209 1.806 2.547 1.00 0.00 H new ATOM 959 N ILE A 61 -3.022 -2.222 6.776 1.00 0.00 N ATOM 960 CA ILE A 61 -2.760 -3.655 6.880 1.00 0.00 C ATOM 961 C ILE A 61 -3.606 -4.393 5.845 1.00 0.00 C ATOM 962 O ILE A 61 -4.835 -4.366 5.912 1.00 0.00 O ATOM 963 CB ILE A 61 -3.130 -4.151 8.279 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.440 -3.277 9.337 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.681 -5.602 8.439 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.925 -3.231 9.100 1.00 0.00 C ATOM 0 H ILE A 61 -3.975 -1.951 7.019 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.702 -3.843 6.700 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.210 -4.089 8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.849 -2.267 9.304 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.645 -3.672 10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.944 -5.957 9.436 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.177 -6.221 7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.601 -5.666 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.457 -2.607 9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.517 -4.240 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.724 -2.814 8.113 1.00 0.00 H new ATOM 978 N LEU A 62 -2.955 -5.039 4.877 1.00 0.00 N ATOM 979 CA LEU A 62 -3.681 -5.766 3.830 1.00 0.00 C ATOM 980 C LEU A 62 -3.656 -7.264 4.112 1.00 0.00 C ATOM 981 O LEU A 62 -2.634 -7.917 3.928 1.00 0.00 O ATOM 982 CB LEU A 62 -3.022 -5.496 2.476 1.00 0.00 C ATOM 983 CG LEU A 62 -2.915 -3.984 2.241 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.116 -3.731 0.959 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.316 -3.365 2.101 1.00 0.00 C ATOM 0 H LEU A 62 -1.939 -5.075 4.794 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.716 -5.425 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.031 -5.949 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.606 -5.956 1.679 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.411 -3.525 3.092 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.036 -2.658 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.118 -4.157 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.624 -4.198 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.225 -2.292 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.832 -3.820 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.885 -3.544 3.013 1.00 0.00 H new ATOM 997 N GLU A 63 -4.783 -7.803 4.560 1.00 0.00 N ATOM 998 CA GLU A 63 -4.873 -9.229 4.874 1.00 0.00 C ATOM 999 C GLU A 63 -5.131 -10.062 3.623 1.00 0.00 C ATOM 1000 O GLU A 63 -5.703 -9.578 2.648 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.997 -9.473 5.882 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.615 -8.875 7.236 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.758 -9.061 8.229 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.728 -9.705 7.868 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.643 -8.562 9.337 1.00 0.00 O ATOM 0 H GLU A 63 -5.645 -7.280 4.714 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.917 -9.534 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.923 -9.024 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.180 -10.543 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.712 -9.356 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.389 -7.815 7.124 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.711 -11.326 3.679 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.895 -12.263 2.568 1.00 0.00 C ATOM 1014 C HIS A 64 -4.003 -11.892 1.388 1.00 0.00 C ATOM 1015 O HIS A 64 -4.494 -11.498 0.330 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.362 -12.267 2.118 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.644 -13.494 1.292 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -6.645 -14.768 1.838 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -6.953 -13.656 -0.035 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -6.951 -15.632 0.854 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.147 -15.006 -0.310 1.00 0.00 N ATOM 0 H HIS A 64 -4.237 -11.728 4.488 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.618 -13.258 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.018 -12.246 2.988 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.575 -11.370 1.536 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -7.033 -12.857 -0.757 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.029 -16.701 0.988 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.387 -15.427 -1.207 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.686 -12.020 1.570 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.734 -11.691 0.500 1.00 0.00 C ATOM 1031 C LEU A 65 -1.108 -12.955 -0.087 1.00 0.00 C ATOM 1032 O LEU A 65 -0.411 -12.889 -1.097 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.635 -10.772 1.040 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.250 -9.508 1.665 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.123 -8.560 2.090 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.163 -8.796 0.653 1.00 0.00 C ATOM 0 H LEU A 65 -2.256 -12.345 2.436 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.280 -11.178 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.043 -11.302 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.043 -10.493 0.234 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.846 -9.794 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.551 -7.661 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.515 -9.057 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.470 -8.286 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.589 -7.904 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.581 -8.510 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.966 -9.468 0.352 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.374 -14.102 0.539 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.838 -15.376 0.055 1.00 0.00 C ATOM 1050 C GLN A 66 0.686 -15.339 -0.061 1.00 0.00 C ATOM 1051 O GLN A 66 1.280 -14.294 -0.328 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.467 -15.705 -1.298 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.937 -16.071 -1.088 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.613 -16.314 -2.433 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.076 -17.033 -3.278 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.765 -15.754 -2.687 1.00 0.00 N ATOM 0 H GLN A 66 -1.953 -14.176 1.376 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.089 -16.153 0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.384 -14.850 -1.969 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.936 -16.533 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.013 -16.964 -0.467 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.447 -15.269 -0.555 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.208 -15.159 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.221 -15.911 -3.585 1.00 0.00 H new ATOM 1065 N TRP A 67 1.312 -16.491 0.173 1.00 0.00 N ATOM 1066 CA TRP A 67 2.770 -16.602 0.133 1.00 0.00 C ATOM 1067 C TRP A 67 3.278 -17.007 -1.255 1.00 0.00 C ATOM 1068 O TRP A 67 4.462 -16.851 -1.556 1.00 0.00 O ATOM 1069 CB TRP A 67 3.209 -17.663 1.136 1.00 0.00 C ATOM 1070 CG TRP A 67 2.675 -17.328 2.492 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.505 -17.786 2.985 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.260 -16.486 3.529 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.337 -17.292 4.268 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.392 -16.484 4.647 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.445 -15.732 3.615 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.690 -15.766 5.807 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.746 -15.004 4.779 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.867 -15.024 5.875 1.00 0.00 C ATOM 0 H TRP A 67 0.831 -17.363 0.393 1.00 0.00 H new ATOM 0 HA TRP A 67 3.187 -15.625 0.377 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.848 -18.643 0.824 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.297 -17.720 1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.813 -18.432 2.464 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.533 -17.499 4.861 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.129 -15.713 2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.012 -15.786 6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.657 -14.427 4.831 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.103 -14.465 6.768 1.00 0.00 H new ATOM 1089 N THR A 68 2.391 -17.555 -2.081 1.00 0.00 N ATOM 1090 CA THR A 68 2.767 -18.017 -3.425 1.00 0.00 C ATOM 1091 C THR A 68 2.236 -17.074 -4.499 1.00 0.00 C ATOM 1092 O THR A 68 2.135 -17.445 -5.669 1.00 0.00 O ATOM 1093 CB THR A 68 2.196 -19.418 -3.657 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.776 -19.351 -3.640 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.678 -20.360 -2.551 1.00 0.00 C ATOM 0 H THR A 68 1.407 -17.692 -1.849 1.00 0.00 H new ATOM 0 HA THR A 68 3.855 -18.036 -3.490 1.00 0.00 H new ATOM 0 HB THR A 68 2.534 -19.796 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.404 -20.245 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.270 -21.357 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.767 -20.407 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.341 -19.988 -1.584 1.00 0.00 H new ATOM 1103 N MET A 69 1.894 -15.857 -4.098 1.00 0.00 N ATOM 1104 CA MET A 69 1.369 -14.865 -5.030 1.00 0.00 C ATOM 1105 C MET A 69 1.823 -13.474 -4.607 1.00 0.00 C ATOM 1106 O MET A 69 1.836 -13.151 -3.420 1.00 0.00 O ATOM 1107 CB MET A 69 -0.162 -14.954 -5.059 1.00 0.00 C ATOM 1108 CG MET A 69 -0.767 -13.688 -5.670 1.00 0.00 C ATOM 1109 SD MET A 69 -2.432 -14.062 -6.271 1.00 0.00 S ATOM 1110 CE MET A 69 -1.966 -14.462 -7.974 1.00 0.00 C ATOM 0 H MET A 69 1.970 -15.532 -3.134 1.00 0.00 H new ATOM 0 HA MET A 69 1.749 -15.061 -6.033 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.469 -15.825 -5.637 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.542 -15.093 -4.047 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.805 -12.892 -4.926 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.143 -13.330 -6.489 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.864 -14.642 -8.564 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.410 -13.629 -8.404 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.343 -15.356 -7.980 1.00 0.00 H new ATOM 1120 N GLY A 70 2.203 -12.658 -5.585 1.00 0.00 N ATOM 1121 CA GLY A 70 2.665 -11.305 -5.303 1.00 0.00 C ATOM 1122 C GLY A 70 1.514 -10.310 -5.343 1.00 0.00 C ATOM 1123 O GLY A 70 0.403 -10.645 -5.755 1.00 0.00 O ATOM 0 H GLY A 70 2.200 -12.909 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.139 -11.277 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.423 -11.018 -6.032 1.00 0.00 H new ATOM 1127 N TYR A 71 1.784 -9.081 -4.909 1.00 0.00 N ATOM 1128 CA TYR A 71 0.762 -8.035 -4.898 1.00 0.00 C ATOM 1129 C TYR A 71 1.397 -6.657 -5.105 1.00 0.00 C ATOM 1130 O TYR A 71 2.392 -6.319 -4.467 1.00 0.00 O ATOM 1131 CB TYR A 71 0.002 -8.062 -3.556 1.00 0.00 C ATOM 1132 CG TYR A 71 -1.158 -9.032 -3.624 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -2.388 -8.605 -4.134 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -1.005 -10.346 -3.162 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -3.467 -9.495 -4.188 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -2.085 -11.234 -3.215 1.00 0.00 C ATOM 1137 CZ TYR A 71 -3.316 -10.809 -3.728 1.00 0.00 C ATOM 1138 OH TYR A 71 -4.383 -11.682 -3.775 1.00 0.00 O ATOM 0 H TYR A 71 2.696 -8.785 -4.562 1.00 0.00 H new ATOM 0 HA TYR A 71 0.065 -8.223 -5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.680 -8.352 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.365 -7.063 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.505 -7.591 -4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.055 -10.673 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.417 -9.168 -4.585 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.969 -12.247 -2.860 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.684 -11.781 -4.702 1.00 0.00 H new ATOM 1148 N GLU A 72 0.791 -5.857 -5.983 1.00 0.00 N ATOM 1149 CA GLU A 72 1.281 -4.501 -6.249 1.00 0.00 C ATOM 1150 C GLU A 72 0.447 -3.510 -5.449 1.00 0.00 C ATOM 1151 O GLU A 72 -0.708 -3.787 -5.137 1.00 0.00 O ATOM 1152 CB GLU A 72 1.187 -4.171 -7.752 1.00 0.00 C ATOM 1153 CG GLU A 72 1.408 -5.437 -8.579 1.00 0.00 C ATOM 1154 CD GLU A 72 1.808 -5.072 -10.008 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.575 -3.937 -10.395 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.339 -5.931 -10.692 1.00 0.00 O ATOM 0 H GLU A 72 -0.035 -6.121 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 72 2.328 -4.435 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.210 -3.744 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.932 -3.420 -8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.186 -6.048 -8.121 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.497 -6.036 -8.590 1.00 0.00 H new ATOM 1163 N VAL A 73 1.028 -2.362 -5.106 1.00 0.00 N ATOM 1164 CA VAL A 73 0.301 -1.352 -4.333 1.00 0.00 C ATOM 1165 C VAL A 73 0.500 0.032 -4.932 1.00 0.00 C ATOM 1166 O VAL A 73 1.611 0.412 -5.292 1.00 0.00 O ATOM 1167 CB VAL A 73 0.775 -1.369 -2.874 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.295 -0.741 -1.976 1.00 0.00 C ATOM 1169 CG2 VAL A 73 1.034 -2.820 -2.447 1.00 0.00 C ATOM 0 H VAL A 73 1.986 -2.108 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.762 -1.590 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 73 1.696 -0.793 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.045 -0.755 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.472 0.289 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.221 -1.310 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.371 -2.840 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.114 -3.396 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.801 -3.256 -3.087 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.591 0.777 -5.039 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.555 2.125 -5.597 1.00 0.00 C ATOM 1181 C GLN A 74 -1.228 3.100 -4.644 1.00 0.00 C ATOM 1182 O GLN A 74 -2.448 3.095 -4.478 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.260 2.131 -6.950 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.276 3.550 -7.522 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.839 3.539 -8.939 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.923 2.483 -9.569 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.226 4.660 -9.485 1.00 0.00 N ATOM 0 H GLN A 74 -1.518 0.470 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 74 0.481 2.435 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.750 1.458 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.280 1.762 -6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.880 4.199 -6.888 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.266 3.960 -7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.156 5.533 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.599 4.663 -10.434 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.411 3.930 -4.014 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.893 4.921 -3.058 1.00 0.00 C ATOM 1198 C ILE A 75 -1.167 6.251 -3.757 1.00 0.00 C ATOM 1199 O ILE A 75 -0.375 6.706 -4.565 1.00 0.00 O ATOM 1200 CB ILE A 75 0.169 5.101 -1.944 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.068 4.092 -0.821 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.125 6.515 -1.355 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.110 2.671 -1.354 1.00 0.00 C ATOM 0 H ILE A 75 0.600 3.938 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.829 4.577 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 75 1.148 4.936 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.630 4.273 -0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.072 4.215 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.882 6.609 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.322 7.243 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.860 6.700 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.060 1.956 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.606 2.491 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.123 2.551 -1.738 1.00 0.00 H new ATOM 1215 N THR A 76 -2.283 6.881 -3.414 1.00 0.00 N ATOM 1216 CA THR A 76 -2.622 8.184 -3.984 1.00 0.00 C ATOM 1217 C THR A 76 -3.152 9.086 -2.877 1.00 0.00 C ATOM 1218 O THR A 76 -4.169 8.792 -2.256 1.00 0.00 O ATOM 1219 CB THR A 76 -3.662 8.043 -5.096 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.285 6.985 -5.967 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.732 9.349 -5.887 1.00 0.00 C ATOM 0 H THR A 76 -2.966 6.517 -2.750 1.00 0.00 H new ATOM 0 HA THR A 76 -1.726 8.624 -4.422 1.00 0.00 H new ATOM 0 HB THR A 76 -4.636 7.824 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.952 6.894 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.472 9.254 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.017 10.163 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.756 9.563 -6.324 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.450 10.182 -2.626 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.852 11.118 -1.579 1.00 0.00 C ATOM 1231 C ALA A 77 -3.803 12.154 -2.174 1.00 0.00 C ATOM 1232 O ALA A 77 -3.489 12.774 -3.189 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.593 11.795 -1.008 1.00 0.00 C ATOM 0 H ALA A 77 -1.603 10.446 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.367 10.595 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.881 12.497 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.930 11.037 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.076 12.331 -1.804 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.976 12.322 -1.564 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.967 13.268 -2.086 1.00 0.00 C ATOM 1241 C ALA A 78 -6.037 14.543 -1.257 1.00 0.00 C ATOM 1242 O ALA A 78 -6.495 14.539 -0.116 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.345 12.608 -2.118 1.00 0.00 C ATOM 0 H ALA A 78 -5.262 11.825 -0.721 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.656 13.543 -3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.078 13.315 -2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.312 11.729 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.629 12.309 -1.109 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.605 15.644 -1.870 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.639 16.956 -1.231 1.00 0.00 C ATOM 1251 C ASN A 79 -6.607 17.844 -1.989 1.00 0.00 C ATOM 1252 O ASN A 79 -7.358 17.370 -2.842 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.238 17.591 -1.227 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.515 17.324 -2.546 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.969 16.521 -3.362 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.403 17.955 -2.807 1.00 0.00 N ATOM 0 H ASN A 79 -5.225 15.651 -2.816 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.966 16.846 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.322 18.666 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.654 17.188 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.913 17.783 -3.685 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.024 18.621 -2.133 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.583 19.131 -1.696 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.469 20.055 -2.385 1.00 0.00 C ATOM 1265 C ARG A 80 -7.336 19.864 -3.894 1.00 0.00 C ATOM 1266 O ARG A 80 -8.297 20.052 -4.641 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.133 21.502 -2.017 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.554 21.781 -0.573 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.111 23.194 -0.191 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.796 24.180 -1.019 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.411 25.452 -1.029 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -6.392 25.827 -0.307 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -8.045 26.323 -1.766 1.00 0.00 N ATOM 0 H ARG A 80 -5.972 19.556 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.494 19.848 -2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.064 21.678 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.644 22.187 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.635 21.684 -0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.103 21.050 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.328 23.379 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -6.032 23.291 -0.316 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.583 23.889 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.893 25.145 0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.094 26.803 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.838 26.028 -2.336 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.748 27.299 -1.772 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.144 19.464 -4.330 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.901 19.223 -5.748 1.00 0.00 C ATOM 1289 C LEU A 81 -6.796 18.075 -6.210 1.00 0.00 C ATOM 1290 O LEU A 81 -7.385 18.114 -7.290 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.428 18.830 -5.977 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.500 20.058 -5.913 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.660 20.939 -7.161 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.819 20.873 -4.659 1.00 0.00 C ATOM 0 H LEU A 81 -5.338 19.301 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.120 20.131 -6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.123 18.103 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.326 18.346 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.468 19.709 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.993 21.798 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.410 20.360 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.691 21.285 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.163 21.742 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.857 21.204 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.665 20.255 -3.774 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.877 17.049 -5.363 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.682 15.858 -5.643 1.00 0.00 C ATOM 1308 C GLY A 82 -6.808 14.617 -5.538 1.00 0.00 C ATOM 1309 O GLY A 82 -7.170 13.639 -4.886 1.00 0.00 O ATOM 0 H GLY A 82 -6.389 17.019 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.511 15.793 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.116 15.926 -6.640 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.645 14.681 -6.170 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.690 13.581 -6.135 1.00 0.00 C ATOM 1315 C TYR A 83 -3.292 14.136 -6.392 1.00 0.00 C ATOM 1316 O TYR A 83 -3.122 14.999 -7.254 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.035 12.534 -7.201 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.532 12.373 -7.298 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.266 13.223 -8.132 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.185 11.375 -6.566 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.654 13.079 -8.233 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.573 11.230 -6.667 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.308 12.082 -7.501 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.676 11.936 -7.601 1.00 0.00 O ATOM 0 H TYR A 83 -5.338 15.486 -6.716 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.729 13.101 -5.157 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.630 12.838 -8.166 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.574 11.579 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.761 13.991 -8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.618 10.717 -5.924 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.220 13.737 -8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.078 10.461 -6.102 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.969 11.197 -7.028 1.00 0.00 H new ATOM 1334 N SER A 84 -2.286 13.648 -5.661 1.00 0.00 N ATOM 1335 CA SER A 84 -0.915 14.135 -5.861 1.00 0.00 C ATOM 1336 C SER A 84 0.056 12.974 -5.982 1.00 0.00 C ATOM 1337 O SER A 84 0.007 12.036 -5.186 1.00 0.00 O ATOM 1338 CB SER A 84 -0.488 15.027 -4.686 1.00 0.00 C ATOM 1339 OG SER A 84 0.468 15.973 -5.147 1.00 0.00 O ATOM 0 H SER A 84 -2.388 12.933 -4.941 1.00 0.00 H new ATOM 0 HA SER A 84 -0.897 14.714 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.354 15.540 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.062 14.420 -3.888 1.00 0.00 H new ATOM 0 HG SER A 84 1.246 15.968 -4.552 1.00 0.00 H new ATOM 1345 N GLU A 85 0.954 13.082 -6.967 1.00 0.00 N ATOM 1346 CA GLU A 85 2.001 12.082 -7.223 1.00 0.00 C ATOM 1347 C GLU A 85 1.765 10.781 -6.433 1.00 0.00 C ATOM 1348 O GLU A 85 2.175 10.691 -5.274 1.00 0.00 O ATOM 1349 CB GLU A 85 3.354 12.703 -6.814 1.00 0.00 C ATOM 1350 CG GLU A 85 4.088 13.242 -8.051 1.00 0.00 C ATOM 1351 CD GLU A 85 4.592 12.082 -8.903 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.696 10.986 -8.376 1.00 0.00 O ATOM 1353 OE2 GLU A 85 4.866 12.305 -10.071 1.00 0.00 O ATOM 0 H GLU A 85 0.977 13.870 -7.614 1.00 0.00 H new ATOM 0 HA GLU A 85 1.989 11.818 -8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.191 13.510 -6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.969 11.955 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.417 13.870 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.925 13.869 -7.743 1.00 0.00 H new ATOM 1360 N PRO A 86 1.123 9.785 -6.999 1.00 0.00 N ATOM 1361 CA PRO A 86 0.865 8.521 -6.259 1.00 0.00 C ATOM 1362 C PRO A 86 2.140 7.701 -6.082 1.00 0.00 C ATOM 1363 O PRO A 86 3.071 7.802 -6.882 1.00 0.00 O ATOM 1364 CB PRO A 86 -0.165 7.788 -7.126 1.00 0.00 C ATOM 1365 CG PRO A 86 0.077 8.285 -8.515 1.00 0.00 C ATOM 1366 CD PRO A 86 0.582 9.729 -8.377 1.00 0.00 C ATOM 0 HA PRO A 86 0.505 8.698 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.035 6.707 -7.065 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.182 8.006 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.812 7.664 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.838 8.248 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.349 9.957 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.223 10.450 -8.520 1.00 0.00 H new ATOM 1374 N THR A 87 2.165 6.876 -5.040 1.00 0.00 N ATOM 1375 CA THR A 87 3.306 6.028 -4.766 1.00 0.00 C ATOM 1376 C THR A 87 3.032 4.636 -5.288 1.00 0.00 C ATOM 1377 O THR A 87 2.188 3.910 -4.762 1.00 0.00 O ATOM 1378 CB THR A 87 3.587 5.974 -3.248 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.820 6.969 -2.592 1.00 0.00 O ATOM 1380 CG2 THR A 87 5.055 6.231 -2.985 1.00 0.00 C ATOM 0 H THR A 87 1.400 6.781 -4.372 1.00 0.00 H new ATOM 0 HA THR A 87 4.183 6.440 -5.265 1.00 0.00 H new ATOM 0 HB THR A 87 3.318 4.987 -2.871 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.420 7.627 -2.182 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.245 6.191 -1.912 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.653 5.471 -3.488 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.326 7.216 -3.365 1.00 0.00 H new ATOM 1388 N VAL A 88 3.767 4.272 -6.310 1.00 0.00 N ATOM 1389 CA VAL A 88 3.630 2.952 -6.908 1.00 0.00 C ATOM 1390 C VAL A 88 4.658 2.018 -6.295 1.00 0.00 C ATOM 1391 O VAL A 88 5.817 1.984 -6.706 1.00 0.00 O ATOM 1392 CB VAL A 88 3.796 3.024 -8.436 1.00 0.00 C ATOM 1393 CG1 VAL A 88 2.646 3.853 -9.019 1.00 0.00 C ATOM 1394 CG2 VAL A 88 5.143 3.683 -8.806 1.00 0.00 C ATOM 0 H VAL A 88 4.469 4.867 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 88 2.631 2.567 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 88 3.781 2.014 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.752 3.912 -10.102 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.695 3.380 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.671 4.858 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.242 3.725 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.177 4.694 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.962 3.096 -8.389 1.00 0.00 H new ATOM 1404 N TYR A 89 4.218 1.260 -5.296 1.00 0.00 N ATOM 1405 CA TYR A 89 5.096 0.318 -4.602 1.00 0.00 C ATOM 1406 C TYR A 89 4.820 -1.098 -5.111 1.00 0.00 C ATOM 1407 O TYR A 89 3.664 -1.513 -5.188 1.00 0.00 O ATOM 1408 CB TYR A 89 4.840 0.394 -3.093 1.00 0.00 C ATOM 1409 CG TYR A 89 5.750 -0.569 -2.350 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.144 -0.465 -2.473 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.200 -1.568 -1.533 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.979 -1.352 -1.787 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.036 -2.457 -0.849 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.426 -2.351 -0.978 1.00 0.00 C ATOM 1415 OH TYR A 89 8.250 -3.232 -0.308 1.00 0.00 O ATOM 0 H TYR A 89 3.260 1.278 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 89 6.138 0.573 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.011 1.411 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.798 0.154 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.573 0.303 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.128 -1.651 -1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.051 -1.266 -1.881 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.609 -3.225 -0.221 1.00 0.00 H new ATOM 0 HH TYR A 89 7.705 -3.861 0.209 1.00 0.00 H new ATOM 1425 N GLU A 90 5.872 -1.831 -5.481 1.00 0.00 N ATOM 1426 CA GLU A 90 5.707 -3.193 -6.007 1.00 0.00 C ATOM 1427 C GLU A 90 6.634 -4.186 -5.307 1.00 0.00 C ATOM 1428 O GLU A 90 7.836 -3.954 -5.179 1.00 0.00 O ATOM 1429 CB GLU A 90 5.995 -3.190 -7.511 1.00 0.00 C ATOM 1430 CG GLU A 90 7.203 -2.294 -7.793 1.00 0.00 C ATOM 1431 CD GLU A 90 7.697 -2.521 -9.218 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.912 -3.667 -9.574 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.845 -1.545 -9.934 1.00 0.00 O ATOM 0 H GLU A 90 6.839 -1.511 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 90 4.681 -3.509 -5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.192 -4.205 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.124 -2.829 -8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.930 -1.248 -7.656 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.001 -2.511 -7.083 1.00 0.00 H new ATOM 1440 N PHE A 91 6.053 -5.298 -4.867 1.00 0.00 N ATOM 1441 CA PHE A 91 6.812 -6.344 -4.192 1.00 0.00 C ATOM 1442 C PHE A 91 5.982 -7.627 -4.113 1.00 0.00 C ATOM 1443 O PHE A 91 4.777 -7.576 -3.868 1.00 0.00 O ATOM 1444 CB PHE A 91 7.201 -5.876 -2.780 1.00 0.00 C ATOM 1445 CG PHE A 91 6.004 -5.965 -1.856 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.963 -5.036 -1.960 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.936 -6.988 -0.898 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.853 -5.130 -1.109 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.827 -7.080 -0.048 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.786 -6.152 -0.154 1.00 0.00 C ATOM 0 H PHE A 91 5.058 -5.498 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 91 7.719 -6.549 -4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.014 -6.491 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.567 -4.850 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.015 -4.247 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.740 -7.705 -0.816 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.049 -4.414 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.776 -7.867 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.930 -6.224 0.501 1.00 0.00 H new ATOM 1460 N SER A 92 6.626 -8.777 -4.319 1.00 0.00 N ATOM 1461 CA SER A 92 5.922 -10.057 -4.261 1.00 0.00 C ATOM 1462 C SER A 92 5.975 -10.632 -2.846 1.00 0.00 C ATOM 1463 O SER A 92 6.684 -10.110 -1.984 1.00 0.00 O ATOM 1464 CB SER A 92 6.541 -11.047 -5.251 1.00 0.00 C ATOM 1465 OG SER A 92 6.940 -10.349 -6.423 1.00 0.00 O ATOM 0 H SER A 92 7.622 -8.848 -4.525 1.00 0.00 H new ATOM 0 HA SER A 92 4.880 -9.890 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.400 -11.543 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.821 -11.825 -5.504 1.00 0.00 H new ATOM 0 HG SER A 92 7.339 -10.979 -7.059 1.00 0.00 H new ATOM 1471 N MET A 93 5.221 -11.710 -2.603 1.00 0.00 N ATOM 1472 CA MET A 93 5.195 -12.338 -1.279 1.00 0.00 C ATOM 1473 C MET A 93 6.161 -13.530 -1.214 1.00 0.00 C ATOM 1474 O MET A 93 6.245 -14.308 -2.163 1.00 0.00 O ATOM 1475 CB MET A 93 3.777 -12.821 -0.972 1.00 0.00 C ATOM 1476 CG MET A 93 2.833 -11.619 -0.917 1.00 0.00 C ATOM 1477 SD MET A 93 3.248 -10.595 0.519 1.00 0.00 S ATOM 1478 CE MET A 93 2.742 -11.761 1.809 1.00 0.00 C ATOM 0 H MET A 93 4.627 -12.161 -3.298 1.00 0.00 H new ATOM 0 HA MET A 93 5.508 -11.598 -0.543 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.446 -13.523 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.760 -13.355 -0.022 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.918 -11.033 -1.832 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.799 -11.957 -0.850 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.440 -11.210 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.904 -12.359 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.577 -12.417 2.054 1.00 0.00 H new ATOM 1488 N PRO A 94 6.876 -13.706 -0.118 1.00 0.00 N ATOM 1489 CA PRO A 94 7.826 -14.850 0.039 1.00 0.00 C ATOM 1490 C PRO A 94 7.072 -16.158 0.276 1.00 0.00 C ATOM 1491 O PRO A 94 5.898 -16.138 0.626 1.00 0.00 O ATOM 1492 CB PRO A 94 8.659 -14.452 1.268 1.00 0.00 C ATOM 1493 CG PRO A 94 7.751 -13.590 2.082 1.00 0.00 C ATOM 1494 CD PRO A 94 6.867 -12.845 1.084 1.00 0.00 C ATOM 0 HA PRO A 94 8.437 -15.025 -0.846 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.980 -15.330 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.560 -13.913 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.149 -14.192 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.322 -12.892 2.694 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.857 -12.710 1.470 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.261 -11.852 0.866 1.00 0.00 H new ATOM 1502 N PRO A 95 7.717 -17.282 0.101 1.00 0.00 N ATOM 1503 CA PRO A 95 7.075 -18.617 0.317 1.00 0.00 C ATOM 1504 C PRO A 95 6.665 -18.820 1.778 1.00 0.00 C ATOM 1505 O PRO A 95 7.317 -18.318 2.694 1.00 0.00 O ATOM 1506 CB PRO A 95 8.163 -19.618 -0.118 1.00 0.00 C ATOM 1507 CG PRO A 95 9.450 -18.867 0.020 1.00 0.00 C ATOM 1508 CD PRO A 95 9.122 -17.414 -0.321 1.00 0.00 C ATOM 0 HA PRO A 95 6.149 -18.734 -0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.155 -20.509 0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.007 -19.951 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.846 -18.952 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.209 -19.265 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.770 -16.718 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.244 -17.212 -1.385 1.00 0.00 H new ATOM 1516 N LYS A 96 5.575 -19.559 1.982 1.00 0.00 N ATOM 1517 CA LYS A 96 5.071 -19.826 3.330 1.00 0.00 C ATOM 1518 C LYS A 96 6.232 -20.125 4.283 1.00 0.00 C ATOM 1519 O LYS A 96 7.112 -20.918 3.950 1.00 0.00 O ATOM 1520 CB LYS A 96 4.127 -21.039 3.285 1.00 0.00 C ATOM 1521 CG LYS A 96 3.579 -21.394 4.692 1.00 0.00 C ATOM 1522 CD LYS A 96 2.328 -20.555 5.011 1.00 0.00 C ATOM 1523 CE LYS A 96 1.075 -21.204 4.406 1.00 0.00 C ATOM 1524 NZ LYS A 96 -0.135 -20.487 4.898 1.00 0.00 N ATOM 0 H LYS A 96 5.025 -19.982 1.234 1.00 0.00 H new ATOM 0 HA LYS A 96 4.536 -18.947 3.689 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.295 -20.827 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.658 -21.898 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.333 -22.455 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.347 -21.213 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.211 -20.462 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.449 -19.546 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.119 -21.163 3.318 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.026 -22.257 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.987 -20.923 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.177 -20.548 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.087 -19.488 4.612 1.00 0.00 H new ATOM 1538 N PRO A 97 6.251 -19.549 5.468 1.00 0.00 N ATOM 1539 CA PRO A 97 7.331 -19.828 6.454 1.00 0.00 C ATOM 1540 C PRO A 97 7.169 -21.210 7.083 1.00 0.00 C ATOM 1541 O PRO A 97 6.070 -21.764 7.104 1.00 0.00 O ATOM 1542 CB PRO A 97 7.155 -18.728 7.503 1.00 0.00 C ATOM 1543 CG PRO A 97 5.699 -18.400 7.466 1.00 0.00 C ATOM 1544 CD PRO A 97 5.268 -18.577 6.006 1.00 0.00 C ATOM 0 HA PRO A 97 8.321 -19.829 5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.459 -19.071 8.492 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.764 -17.855 7.268 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.133 -19.060 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.519 -17.380 7.806 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.248 -18.955 5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.298 -17.633 5.462 1.00 0.00 H new ATOM 1552 N ASN A 98 8.257 -21.753 7.613 1.00 0.00 N ATOM 1553 CA ASN A 98 8.193 -23.057 8.260 1.00 0.00 C ATOM 1554 C ASN A 98 7.564 -22.901 9.644 1.00 0.00 C ATOM 1555 O ASN A 98 6.453 -23.374 9.884 1.00 0.00 O ATOM 1556 CB ASN A 98 9.598 -23.667 8.367 1.00 0.00 C ATOM 1557 CG ASN A 98 10.630 -22.562 8.570 1.00 0.00 C ATOM 1558 OD1 ASN A 98 10.794 -21.701 7.705 1.00 0.00 O ATOM 1559 ND2 ASN A 98 11.341 -22.531 9.664 1.00 0.00 N ATOM 0 H ASN A 98 9.180 -21.320 7.609 1.00 0.00 H new ATOM 0 HA ASN A 98 7.578 -23.731 7.663 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.636 -24.370 9.199 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.829 -24.231 7.463 1.00 0.00 H new ATOM 0 HD21 ASN A 98 12.032 -21.794 9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.205 -23.244 10.381 1.00 0.00 H new ATOM 1566 N ILE A 99 8.272 -22.213 10.534 1.00 0.00 N ATOM 1567 CA ILE A 99 7.773 -21.968 11.885 1.00 0.00 C ATOM 1568 C ILE A 99 8.755 -21.115 12.675 1.00 0.00 C ATOM 1569 O ILE A 99 9.681 -21.625 13.301 1.00 0.00 O ATOM 1570 CB ILE A 99 7.506 -23.286 12.626 1.00 0.00 C ATOM 1571 CG1 ILE A 99 7.124 -22.979 14.082 1.00 0.00 C ATOM 1572 CG2 ILE A 99 8.745 -24.197 12.585 1.00 0.00 C ATOM 1573 CD1 ILE A 99 6.439 -24.200 14.706 1.00 0.00 C ATOM 0 H ILE A 99 9.192 -21.815 10.346 1.00 0.00 H new ATOM 0 HA ILE A 99 6.830 -21.428 11.796 1.00 0.00 H new ATOM 0 HB ILE A 99 6.686 -23.809 12.134 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.014 -22.718 14.654 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.457 -22.118 14.119 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.532 -25.125 13.116 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.997 -24.422 11.549 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.585 -23.691 13.061 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.170 -23.978 15.739 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.539 -24.441 14.140 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.120 -25.050 14.684 1.00 0.00 H new ATOM 1585 N ILE A 100 8.530 -19.810 12.632 1.00 0.00 N ATOM 1586 CA ILE A 100 9.377 -18.863 13.333 1.00 0.00 C ATOM 1587 C ILE A 100 8.838 -17.445 13.142 1.00 0.00 C ATOM 1588 O ILE A 100 8.054 -17.189 12.228 1.00 0.00 O ATOM 1589 CB ILE A 100 10.810 -18.969 12.804 1.00 0.00 C ATOM 1590 CG1 ILE A 100 11.651 -17.814 13.347 1.00 0.00 C ATOM 1591 CG2 ILE A 100 10.794 -18.920 11.276 1.00 0.00 C ATOM 1592 CD1 ILE A 100 13.130 -18.086 13.069 1.00 0.00 C ATOM 0 H ILE A 100 7.762 -19.383 12.114 1.00 0.00 H new ATOM 0 HA ILE A 100 9.377 -19.093 14.399 1.00 0.00 H new ATOM 0 HB ILE A 100 11.246 -19.912 13.133 1.00 0.00 H new ATOM 0 HG12 ILE A 100 11.348 -16.878 12.878 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.486 -17.702 14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 100 11.814 -18.995 10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 100 10.203 -19.751 10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 100 10.354 -17.979 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 100 13.730 -17.263 13.456 1.00 0.00 H new ATOM 0 HD12 ILE A 100 13.428 -19.013 13.558 1.00 0.00 H new ATOM 0 HD13 ILE A 100 13.288 -18.176 11.994 1.00 0.00 H new ATOM 1604 N LYS A 101 9.258 -16.529 14.006 1.00 0.00 N ATOM 1605 CA LYS A 101 8.799 -15.147 13.909 1.00 0.00 C ATOM 1606 C LYS A 101 8.996 -14.628 12.488 1.00 0.00 C ATOM 1607 O LYS A 101 10.125 -14.475 12.025 1.00 0.00 O ATOM 1608 CB LYS A 101 9.577 -14.268 14.902 1.00 0.00 C ATOM 1609 CG LYS A 101 8.987 -12.846 14.948 1.00 0.00 C ATOM 1610 CD LYS A 101 7.766 -12.803 15.877 1.00 0.00 C ATOM 1611 CE LYS A 101 7.262 -11.364 16.001 1.00 0.00 C ATOM 1612 NZ LYS A 101 8.245 -10.557 16.780 1.00 0.00 N ATOM 0 H LYS A 101 9.906 -16.713 14.772 1.00 0.00 H new ATOM 0 HA LYS A 101 7.738 -15.108 14.154 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.541 -14.714 15.896 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.626 -14.223 14.610 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.743 -12.143 15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.700 -12.532 13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.976 -13.443 15.484 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.031 -13.191 16.860 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.123 -10.930 15.011 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.291 -11.349 16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.786 -9.690 17.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.587 -11.114 17.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.048 -10.304 16.169 1.00 0.00 H new ATOM 1626 N ASP A 102 7.883 -14.353 11.808 1.00 0.00 N ATOM 1627 CA ASP A 102 7.919 -13.844 10.435 1.00 0.00 C ATOM 1628 C ASP A 102 6.649 -13.049 10.141 1.00 0.00 C ATOM 1629 O ASP A 102 5.982 -12.664 11.087 1.00 0.00 O ATOM 1630 CB ASP A 102 8.034 -15.007 9.439 1.00 0.00 C ATOM 1631 CG ASP A 102 9.460 -15.554 9.412 1.00 0.00 C ATOM 1632 OD1 ASP A 102 10.369 -14.811 9.741 1.00 0.00 O ATOM 1633 OD2 ASP A 102 9.620 -16.712 9.065 1.00 0.00 O ATOM 0 H ASP A 102 6.943 -14.474 12.186 1.00 0.00 H new ATOM 0 HA ASP A 102 8.788 -13.194 10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.340 -15.800 9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.750 -14.669 8.443 1.00 0.00 H new TER 1638 ASP A 102