USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 786 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 56 LYS NZ :NH3+ 179:sc= 0.544 (180deg=-0.197) USER MOD Set 1.2: A 64 HIS : no HE2:sc= -3.88! C(o=-3.3!,f=-7.8!) USER MOD Set 2.1: A 50 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 70 TYR OH : rot 50:sc= 0.72 USER MOD Set 3.1: A 15 MET CE :methyl -165:sc= -0.12 (180deg=-0.257) USER MOD Set 3.2: A 18 MET CE :methyl 169:sc= 0 (180deg=-0.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.675 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -73:sc= 0.00346 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -2.42 K(o=-2.4,f=-4.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.36 K(o=-1.4,f=-0.11) USER MOD Single : A 20 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.59) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -140:sc= 0.0186 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.165 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0857 USER MOD Single : A 72 ASN : amide:sc= -0.956 K(o=-0.96,f=-2.9!) USER MOD Single : A 78 SER OG : rot -13:sc= 0.652! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.939 USER MOD Single : A 89 SER OG : rot 51:sc= -0.175 USER MOD Single : A 90 THR OG1 : rot 33:sc= 1.03 USER MOD Single : A 96 GLN : amide:sc= 0.676 K(o=0.68,f=-0.034) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.806 -22.369 -5.622 1.00 0.00 N ATOM 2 CA GLY A 1 -20.344 -21.152 -4.980 1.00 0.00 C ATOM 3 C GLY A 1 -19.679 -21.418 -3.644 1.00 0.00 C ATOM 4 O GLY A 1 -20.004 -20.778 -2.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.253 -22.134 -6.531 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.998 -23.003 -5.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.499 -22.844 -5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.640 -20.643 -5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.189 -20.479 -4.834 1.00 0.00 H new ATOM 8 N SER A 2 -18.748 -22.367 -3.626 1.00 0.00 N ATOM 9 CA SER A 2 -18.041 -22.720 -2.400 1.00 0.00 C ATOM 10 C SER A 2 -16.575 -22.305 -2.481 1.00 0.00 C ATOM 11 O SER A 2 -15.716 -23.092 -2.879 1.00 0.00 O ATOM 12 CB SER A 2 -18.143 -24.224 -2.143 1.00 0.00 C ATOM 13 OG SER A 2 -17.638 -24.965 -3.240 1.00 0.00 O ATOM 0 H SER A 2 -18.466 -22.905 -4.446 1.00 0.00 H new ATOM 0 HA SER A 2 -18.508 -22.185 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.588 -24.480 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.183 -24.496 -1.965 1.00 0.00 H new ATOM 0 HG SER A 2 -16.772 -24.596 -3.513 1.00 0.00 H new ATOM 19 N SER A 3 -16.296 -21.062 -2.100 1.00 0.00 N ATOM 20 CA SER A 3 -14.935 -20.540 -2.132 1.00 0.00 C ATOM 21 C SER A 3 -14.015 -21.365 -1.237 1.00 0.00 C ATOM 22 O SER A 3 -12.900 -21.709 -1.623 1.00 0.00 O ATOM 23 CB SER A 3 -14.918 -19.076 -1.689 1.00 0.00 C ATOM 24 OG SER A 3 -15.427 -18.229 -2.706 1.00 0.00 O ATOM 0 H SER A 3 -16.995 -20.398 -1.766 1.00 0.00 H new ATOM 0 HA SER A 3 -14.570 -20.607 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.513 -18.960 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.899 -18.780 -1.441 1.00 0.00 H new ATOM 0 HG SER A 3 -15.407 -17.299 -2.398 1.00 0.00 H new ATOM 30 N GLY A 4 -14.493 -21.678 -0.036 1.00 0.00 N ATOM 31 CA GLY A 4 -13.702 -22.459 0.897 1.00 0.00 C ATOM 32 C GLY A 4 -12.759 -21.602 1.717 1.00 0.00 C ATOM 33 O GLY A 4 -12.182 -20.641 1.209 1.00 0.00 O ATOM 0 H GLY A 4 -15.414 -21.405 0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.368 -23.003 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.126 -23.203 0.346 1.00 0.00 H new ATOM 37 N SER A 5 -12.604 -21.949 2.991 1.00 0.00 N ATOM 38 CA SER A 5 -11.728 -21.201 3.886 1.00 0.00 C ATOM 39 C SER A 5 -10.440 -21.972 4.155 1.00 0.00 C ATOM 40 O SER A 5 -9.341 -21.449 3.973 1.00 0.00 O ATOM 41 CB SER A 5 -12.445 -20.905 5.205 1.00 0.00 C ATOM 42 OG SER A 5 -11.978 -19.696 5.778 1.00 0.00 O ATOM 0 H SER A 5 -13.073 -22.743 3.427 1.00 0.00 H new ATOM 0 HA SER A 5 -11.472 -20.259 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.519 -20.838 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.285 -21.727 5.902 1.00 0.00 H new ATOM 0 HG SER A 5 -11.079 -19.833 6.144 1.00 0.00 H new ATOM 48 N SER A 6 -10.584 -23.219 4.592 1.00 0.00 N ATOM 49 CA SER A 6 -9.433 -24.063 4.891 1.00 0.00 C ATOM 50 C SER A 6 -8.436 -23.325 5.780 1.00 0.00 C ATOM 51 O SER A 6 -7.229 -23.366 5.544 1.00 0.00 O ATOM 52 CB SER A 6 -8.749 -24.506 3.596 1.00 0.00 C ATOM 53 OG SER A 6 -9.337 -25.692 3.089 1.00 0.00 O ATOM 0 H SER A 6 -11.487 -23.667 4.747 1.00 0.00 H new ATOM 0 HA SER A 6 -9.788 -24.944 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.823 -23.713 2.852 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.688 -24.672 3.780 1.00 0.00 H new ATOM 0 HG SER A 6 -8.884 -25.954 2.260 1.00 0.00 H new ATOM 59 N GLY A 7 -8.951 -22.651 6.803 1.00 0.00 N ATOM 60 CA GLY A 7 -8.093 -21.913 7.712 1.00 0.00 C ATOM 61 C GLY A 7 -7.976 -20.449 7.339 1.00 0.00 C ATOM 62 O GLY A 7 -8.979 -19.745 7.235 1.00 0.00 O ATOM 0 H GLY A 7 -9.947 -22.603 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.486 -21.996 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.101 -22.364 7.717 1.00 0.00 H new ATOM 66 N GLY A 8 -6.745 -19.988 7.138 1.00 0.00 N ATOM 67 CA GLY A 8 -6.522 -18.600 6.778 1.00 0.00 C ATOM 68 C GLY A 8 -5.113 -18.138 7.095 1.00 0.00 C ATOM 69 O GLY A 8 -4.444 -18.706 7.959 1.00 0.00 O ATOM 0 H GLY A 8 -5.898 -20.551 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.713 -18.469 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.236 -17.971 7.310 1.00 0.00 H new ATOM 73 N THR A 9 -4.659 -17.104 6.393 1.00 0.00 N ATOM 74 CA THR A 9 -3.321 -16.567 6.602 1.00 0.00 C ATOM 75 C THR A 9 -3.356 -15.333 7.497 1.00 0.00 C ATOM 76 O THR A 9 -4.301 -14.547 7.446 1.00 0.00 O ATOM 77 CB THR A 9 -2.648 -16.199 5.266 1.00 0.00 C ATOM 78 OG1 THR A 9 -2.753 -17.293 4.347 1.00 0.00 O ATOM 79 CG2 THR A 9 -1.184 -15.845 5.476 1.00 0.00 C ATOM 0 H THR A 9 -5.199 -16.622 5.675 1.00 0.00 H new ATOM 0 HA THR A 9 -2.740 -17.350 7.090 1.00 0.00 H new ATOM 0 HB THR A 9 -3.160 -15.329 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.324 -17.051 3.500 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.731 -15.589 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.109 -14.994 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.662 -16.699 5.908 1.00 0.00 H new ATOM 87 N GLN A 10 -2.320 -15.171 8.314 1.00 0.00 N ATOM 88 CA GLN A 10 -2.234 -14.032 9.220 1.00 0.00 C ATOM 89 C GLN A 10 -2.861 -12.790 8.595 1.00 0.00 C ATOM 90 O GLN A 10 -3.841 -12.250 9.109 1.00 0.00 O ATOM 91 CB GLN A 10 -0.775 -13.753 9.585 1.00 0.00 C ATOM 92 CG GLN A 10 -0.227 -14.683 10.655 1.00 0.00 C ATOM 93 CD GLN A 10 -0.585 -14.234 12.058 1.00 0.00 C ATOM 94 OE1 GLN A 10 0.008 -13.296 12.592 1.00 0.00 O ATOM 95 NE2 GLN A 10 -1.559 -14.903 12.664 1.00 0.00 N ATOM 0 H GLN A 10 -1.529 -15.813 8.367 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.787 -14.278 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.161 -13.843 8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.686 -12.723 9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.614 -15.689 10.490 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.858 -14.739 10.561 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.023 -15.674 12.184 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.843 -14.646 13.609 1.00 0.00 H new ATOM 104 N LEU A 11 -2.289 -12.342 7.482 1.00 0.00 N ATOM 105 CA LEU A 11 -2.792 -11.162 6.786 1.00 0.00 C ATOM 106 C LEU A 11 -4.280 -11.302 6.483 1.00 0.00 C ATOM 107 O LEU A 11 -5.044 -10.348 6.628 1.00 0.00 O ATOM 108 CB LEU A 11 -2.014 -10.943 5.487 1.00 0.00 C ATOM 109 CG LEU A 11 -2.277 -9.623 4.762 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.719 -8.455 5.561 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.674 -9.652 3.365 1.00 0.00 C ATOM 0 H LEU A 11 -1.478 -12.777 7.043 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.652 -10.299 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.949 -11.006 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.246 -11.761 4.805 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.355 -9.491 4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.915 -7.524 5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.197 -8.422 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.644 -8.581 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.871 -8.704 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.598 -9.808 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.121 -10.465 2.793 1.00 0.00 H new ATOM 123 N GLU A 12 -4.685 -12.497 6.065 1.00 0.00 N ATOM 124 CA GLU A 12 -6.082 -12.760 5.743 1.00 0.00 C ATOM 125 C GLU A 12 -6.966 -12.584 6.975 1.00 0.00 C ATOM 126 O GLU A 12 -8.049 -12.004 6.898 1.00 0.00 O ATOM 127 CB GLU A 12 -6.243 -14.176 5.186 1.00 0.00 C ATOM 128 CG GLU A 12 -6.128 -14.250 3.672 1.00 0.00 C ATOM 129 CD GLU A 12 -7.421 -13.880 2.971 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.307 -14.753 2.863 1.00 0.00 O ATOM 131 OE2 GLU A 12 -7.546 -12.718 2.530 1.00 0.00 O ATOM 0 H GLU A 12 -4.065 -13.298 5.942 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.395 -12.041 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.486 -14.821 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.214 -14.568 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.334 -13.582 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.838 -15.260 3.382 1.00 0.00 H new ATOM 138 N LYS A 13 -6.496 -13.089 8.110 1.00 0.00 N ATOM 139 CA LYS A 13 -7.241 -12.988 9.360 1.00 0.00 C ATOM 140 C LYS A 13 -7.542 -11.532 9.698 1.00 0.00 C ATOM 141 O LYS A 13 -8.701 -11.148 9.859 1.00 0.00 O ATOM 142 CB LYS A 13 -6.453 -13.636 10.501 1.00 0.00 C ATOM 143 CG LYS A 13 -6.556 -15.151 10.527 1.00 0.00 C ATOM 144 CD LYS A 13 -5.320 -15.783 11.145 1.00 0.00 C ATOM 145 CE LYS A 13 -5.333 -15.665 12.662 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.007 -16.828 13.303 1.00 0.00 N ATOM 0 H LYS A 13 -5.602 -13.573 8.191 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.186 -13.516 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.404 -13.353 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.812 -13.239 11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.439 -15.447 11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.688 -15.525 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.267 -16.834 10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.427 -15.300 10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.309 -15.591 13.029 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.843 -14.746 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.995 -16.710 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.991 -16.884 12.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.506 -17.703 13.049 1.00 0.00 H new ATOM 160 N LEU A 14 -6.492 -10.725 9.803 1.00 0.00 N ATOM 161 CA LEU A 14 -6.643 -9.309 10.120 1.00 0.00 C ATOM 162 C LEU A 14 -7.453 -8.593 9.044 1.00 0.00 C ATOM 163 O LEU A 14 -8.488 -7.992 9.329 1.00 0.00 O ATOM 164 CB LEU A 14 -5.271 -8.649 10.266 1.00 0.00 C ATOM 165 CG LEU A 14 -5.276 -7.161 10.616 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.206 -6.966 12.123 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.120 -6.447 9.930 1.00 0.00 C ATOM 0 H LEU A 14 -5.526 -11.027 9.673 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.180 -9.229 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.714 -9.181 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.726 -8.780 9.331 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.209 -6.727 10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.211 -5.900 12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.067 -7.442 12.592 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.290 -7.416 12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.140 -5.389 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.177 -6.884 10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.215 -6.556 8.850 1.00 0.00 H new ATOM 179 N MET A 15 -6.975 -8.665 7.806 1.00 0.00 N ATOM 180 CA MET A 15 -7.657 -8.027 6.686 1.00 0.00 C ATOM 181 C MET A 15 -9.147 -8.355 6.698 1.00 0.00 C ATOM 182 O MET A 15 -9.988 -7.464 6.586 1.00 0.00 O ATOM 183 CB MET A 15 -7.035 -8.472 5.361 1.00 0.00 C ATOM 184 CG MET A 15 -5.696 -7.816 5.067 1.00 0.00 C ATOM 185 SD MET A 15 -4.812 -7.340 6.565 1.00 0.00 S ATOM 186 CE MET A 15 -4.723 -5.563 6.355 1.00 0.00 C ATOM 0 H MET A 15 -6.119 -9.158 7.553 1.00 0.00 H new ATOM 0 HA MET A 15 -7.540 -6.948 6.789 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.905 -9.554 5.376 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.727 -8.245 4.550 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.079 -8.503 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.856 -6.933 4.448 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.987 -5.151 7.046 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.428 -5.332 5.331 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.699 -5.123 6.560 1.00 0.00 H new ATOM 196 N GLU A 16 -9.464 -9.639 6.833 1.00 0.00 N ATOM 197 CA GLU A 16 -10.853 -10.083 6.857 1.00 0.00 C ATOM 198 C GLU A 16 -11.667 -9.268 7.858 1.00 0.00 C ATOM 199 O GLU A 16 -12.799 -8.876 7.579 1.00 0.00 O ATOM 200 CB GLU A 16 -10.930 -11.570 7.212 1.00 0.00 C ATOM 201 CG GLU A 16 -12.322 -12.029 7.612 1.00 0.00 C ATOM 202 CD GLU A 16 -13.341 -11.833 6.507 1.00 0.00 C ATOM 203 OE1 GLU A 16 -13.288 -12.586 5.512 1.00 0.00 O ATOM 204 OE2 GLU A 16 -14.191 -10.927 6.636 1.00 0.00 O ATOM 0 H GLU A 16 -8.779 -10.389 6.927 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.274 -9.931 5.863 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.595 -12.157 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.240 -11.776 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.288 -13.083 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.641 -11.479 8.497 1.00 0.00 H new ATOM 211 N ASN A 17 -11.082 -9.017 9.024 1.00 0.00 N ATOM 212 CA ASN A 17 -11.753 -8.250 10.067 1.00 0.00 C ATOM 213 C ASN A 17 -11.993 -6.812 9.615 1.00 0.00 C ATOM 214 O ASN A 17 -13.055 -6.243 9.863 1.00 0.00 O ATOM 215 CB ASN A 17 -10.922 -8.260 11.352 1.00 0.00 C ATOM 216 CG ASN A 17 -10.837 -9.641 11.974 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.857 -10.266 12.266 1.00 0.00 O ATOM 218 ND2 ASN A 17 -9.617 -10.122 12.181 1.00 0.00 N ATOM 0 H ASN A 17 -10.144 -9.334 9.271 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.718 -8.717 10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.917 -7.900 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.360 -7.567 12.070 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.497 -11.045 12.598 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.800 -9.568 11.923 1.00 0.00 H new ATOM 225 N MET A 18 -10.998 -6.233 8.951 1.00 0.00 N ATOM 226 CA MET A 18 -11.103 -4.862 8.463 1.00 0.00 C ATOM 227 C MET A 18 -12.128 -4.762 7.338 1.00 0.00 C ATOM 228 O MET A 18 -13.080 -3.986 7.420 1.00 0.00 O ATOM 229 CB MET A 18 -9.740 -4.368 7.972 1.00 0.00 C ATOM 230 CG MET A 18 -9.776 -2.962 7.395 1.00 0.00 C ATOM 231 SD MET A 18 -8.182 -2.445 6.728 1.00 0.00 S ATOM 232 CE MET A 18 -8.137 -3.375 5.198 1.00 0.00 C ATOM 0 H MET A 18 -10.111 -6.690 8.739 1.00 0.00 H new ATOM 0 HA MET A 18 -11.434 -4.233 9.289 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.033 -4.394 8.801 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.366 -5.054 7.212 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.528 -2.916 6.607 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.085 -2.262 8.172 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.312 -3.020 4.580 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.995 -4.433 5.419 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.076 -3.239 4.662 1.00 0.00 H new ATOM 242 N ARG A 19 -11.927 -5.552 6.288 1.00 0.00 N ATOM 243 CA ARG A 19 -12.834 -5.551 5.146 1.00 0.00 C ATOM 244 C ARG A 19 -14.287 -5.487 5.606 1.00 0.00 C ATOM 245 O ARG A 19 -15.148 -4.956 4.905 1.00 0.00 O ATOM 246 CB ARG A 19 -12.613 -6.800 4.291 1.00 0.00 C ATOM 247 CG ARG A 19 -11.278 -6.812 3.564 1.00 0.00 C ATOM 248 CD ARG A 19 -10.920 -8.209 3.081 1.00 0.00 C ATOM 249 NE ARG A 19 -9.593 -8.254 2.474 1.00 0.00 N ATOM 250 CZ ARG A 19 -8.975 -9.382 2.141 1.00 0.00 C ATOM 251 NH1 ARG A 19 -9.561 -10.552 2.356 1.00 0.00 N ATOM 252 NH2 ARG A 19 -7.767 -9.342 1.592 1.00 0.00 N ATOM 0 H ARG A 19 -11.144 -6.201 6.204 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.622 -4.666 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.678 -7.682 4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.417 -6.875 3.559 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.319 -6.131 2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.497 -6.444 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.959 -8.904 3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.662 -8.543 2.356 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.114 -7.371 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.489 -10.588 2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.084 -11.416 2.099 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.312 -8.444 1.425 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.294 -10.209 1.337 1.00 0.00 H new ATOM 266 N ASN A 20 -14.553 -6.031 6.789 1.00 0.00 N ATOM 267 CA ASN A 20 -15.902 -6.037 7.343 1.00 0.00 C ATOM 268 C ASN A 20 -16.354 -4.622 7.689 1.00 0.00 C ATOM 269 O ASN A 20 -17.223 -4.057 7.024 1.00 0.00 O ATOM 270 CB ASN A 20 -15.961 -6.922 8.590 1.00 0.00 C ATOM 271 CG ASN A 20 -15.979 -8.400 8.249 1.00 0.00 C ATOM 272 OD1 ASN A 20 -16.674 -8.827 7.327 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.214 -9.188 8.995 1.00 0.00 N ATOM 0 H ASN A 20 -13.852 -6.474 7.383 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.576 -6.441 6.587 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.101 -6.709 9.225 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.852 -6.674 9.167 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.186 -10.191 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.654 -8.790 9.749 1.00 0.00 H new ATOM 280 N ASP A 21 -15.758 -4.054 8.731 1.00 0.00 N ATOM 281 CA ASP A 21 -16.098 -2.704 9.165 1.00 0.00 C ATOM 282 C ASP A 21 -15.805 -1.690 8.064 1.00 0.00 C ATOM 283 O ASP A 21 -16.358 -0.590 8.056 1.00 0.00 O ATOM 284 CB ASP A 21 -15.319 -2.341 10.430 1.00 0.00 C ATOM 285 CG ASP A 21 -16.081 -1.382 11.324 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.323 -1.499 11.396 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.437 -0.517 11.952 1.00 0.00 O ATOM 0 H ASP A 21 -15.036 -4.508 9.291 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.165 -2.677 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.092 -3.250 10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.366 -1.893 10.150 1.00 0.00 H new ATOM 292 N ILE A 22 -14.931 -2.067 7.136 1.00 0.00 N ATOM 293 CA ILE A 22 -14.565 -1.191 6.031 1.00 0.00 C ATOM 294 C ILE A 22 -15.582 -1.280 4.898 1.00 0.00 C ATOM 295 O ILE A 22 -15.849 -0.295 4.211 1.00 0.00 O ATOM 296 CB ILE A 22 -13.168 -1.533 5.480 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.088 -0.801 6.278 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.079 -1.174 4.004 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.128 0.702 6.113 1.00 0.00 C ATOM 0 H ILE A 22 -14.464 -2.974 7.128 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.552 -0.175 6.425 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.005 -2.606 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.200 -1.045 7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.109 -1.166 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -12.086 -1.421 3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.828 -1.737 3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.259 -0.106 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.334 1.155 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.985 0.957 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.093 1.079 6.450 1.00 0.00 H new ATOM 311 N ALA A 23 -16.148 -2.468 4.711 1.00 0.00 N ATOM 312 CA ALA A 23 -17.139 -2.685 3.664 1.00 0.00 C ATOM 313 C ALA A 23 -18.539 -2.323 4.150 1.00 0.00 C ATOM 314 O ALA A 23 -19.449 -2.112 3.348 1.00 0.00 O ATOM 315 CB ALA A 23 -17.100 -4.131 3.193 1.00 0.00 C ATOM 0 H ALA A 23 -15.937 -3.294 5.271 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.894 -2.034 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.845 -4.279 2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.110 -4.359 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.317 -4.793 4.031 1.00 0.00 H new ATOM 321 N SER A 24 -18.704 -2.255 5.467 1.00 0.00 N ATOM 322 CA SER A 24 -19.994 -1.923 6.059 1.00 0.00 C ATOM 323 C SER A 24 -20.033 -0.460 6.492 1.00 0.00 C ATOM 324 O SER A 24 -21.090 0.173 6.488 1.00 0.00 O ATOM 325 CB SER A 24 -20.277 -2.829 7.259 1.00 0.00 C ATOM 326 OG SER A 24 -21.670 -2.971 7.474 1.00 0.00 O ATOM 0 H SER A 24 -17.960 -2.425 6.144 1.00 0.00 H new ATOM 0 HA SER A 24 -20.764 -2.081 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.830 -3.809 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.809 -2.413 8.151 1.00 0.00 H new ATOM 0 HG SER A 24 -21.824 -3.556 8.245 1.00 0.00 H new ATOM 332 N HIS A 25 -18.874 0.071 6.865 1.00 0.00 N ATOM 333 CA HIS A 25 -18.774 1.460 7.301 1.00 0.00 C ATOM 334 C HIS A 25 -17.582 2.151 6.644 1.00 0.00 C ATOM 335 O HIS A 25 -16.726 2.733 7.311 1.00 0.00 O ATOM 336 CB HIS A 25 -18.644 1.531 8.823 1.00 0.00 C ATOM 337 CG HIS A 25 -19.956 1.449 9.540 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.511 2.514 10.217 1.00 0.00 N ATOM 339 CD2 HIS A 25 -20.825 0.421 9.682 1.00 0.00 C ATOM 340 CE1 HIS A 25 -21.664 2.145 10.746 1.00 0.00 C ATOM 341 NE2 HIS A 25 -21.878 0.879 10.436 1.00 0.00 N ATOM 0 H HIS A 25 -17.990 -0.439 6.874 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.684 1.977 6.997 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.002 0.718 9.163 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.149 2.463 9.094 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.712 -0.574 9.278 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.320 2.772 11.332 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -22.693 0.331 10.712 1.00 0.00 H new ATOM 349 N PRO A 26 -17.523 2.085 5.306 1.00 0.00 N ATOM 350 CA PRO A 26 -16.441 2.698 4.530 1.00 0.00 C ATOM 351 C PRO A 26 -16.168 4.137 4.954 1.00 0.00 C ATOM 352 O PRO A 26 -17.072 4.880 5.337 1.00 0.00 O ATOM 353 CB PRO A 26 -16.967 2.655 3.093 1.00 0.00 C ATOM 354 CG PRO A 26 -17.921 1.512 3.073 1.00 0.00 C ATOM 355 CD PRO A 26 -18.509 1.407 4.447 1.00 0.00 C ATOM 0 HA PRO A 26 -15.494 2.176 4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.462 3.588 2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.157 2.507 2.379 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.702 1.675 2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.410 0.588 2.801 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.485 1.889 4.502 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.649 0.367 4.743 1.00 0.00 H new ATOM 363 N PRO A 27 -14.891 4.543 4.884 1.00 0.00 N ATOM 364 CA PRO A 27 -14.469 5.897 5.256 1.00 0.00 C ATOM 365 C PRO A 27 -14.960 6.949 4.268 1.00 0.00 C ATOM 366 O PRO A 27 -15.336 6.629 3.140 1.00 0.00 O ATOM 367 CB PRO A 27 -12.941 5.812 5.231 1.00 0.00 C ATOM 368 CG PRO A 27 -12.639 4.701 4.285 1.00 0.00 C ATOM 369 CD PRO A 27 -13.761 3.712 4.436 1.00 0.00 C ATOM 0 HA PRO A 27 -14.877 6.200 6.220 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.498 6.749 4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.540 5.607 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.577 5.067 3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.679 4.240 4.518 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.981 3.208 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.519 2.937 5.164 1.00 0.00 H new ATOM 377 N VAL A 28 -14.954 8.207 4.698 1.00 0.00 N ATOM 378 CA VAL A 28 -15.398 9.307 3.850 1.00 0.00 C ATOM 379 C VAL A 28 -14.306 9.720 2.869 1.00 0.00 C ATOM 380 O VAL A 28 -13.200 10.080 3.273 1.00 0.00 O ATOM 381 CB VAL A 28 -15.809 10.531 4.688 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.301 11.655 3.788 1.00 0.00 C ATOM 383 CG2 VAL A 28 -16.874 10.147 5.705 1.00 0.00 C ATOM 0 H VAL A 28 -14.647 8.490 5.629 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.265 8.949 3.295 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.933 10.889 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.587 12.511 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.505 11.947 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.164 11.312 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.153 11.024 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -17.752 9.763 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.481 9.378 6.370 1.00 0.00 H new ATOM 393 N GLU A 29 -14.624 9.665 1.580 1.00 0.00 N ATOM 394 CA GLU A 29 -13.669 10.034 0.542 1.00 0.00 C ATOM 395 C GLU A 29 -13.300 11.511 0.641 1.00 0.00 C ATOM 396 O GLU A 29 -14.122 12.386 0.375 1.00 0.00 O ATOM 397 CB GLU A 29 -14.245 9.733 -0.843 1.00 0.00 C ATOM 398 CG GLU A 29 -15.315 10.718 -1.284 1.00 0.00 C ATOM 399 CD GLU A 29 -16.182 10.175 -2.403 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.644 9.020 -2.288 1.00 0.00 O ATOM 401 OE2 GLU A 29 -16.399 10.904 -3.394 1.00 0.00 O ATOM 0 H GLU A 29 -15.535 9.369 1.230 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.766 9.441 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.435 9.738 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.667 8.728 -0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.945 10.970 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.840 11.642 -1.613 1.00 0.00 H new ATOM 408 N GLY A 30 -12.056 11.780 1.027 1.00 0.00 N ATOM 409 CA GLY A 30 -11.600 13.152 1.156 1.00 0.00 C ATOM 410 C GLY A 30 -11.761 13.686 2.565 1.00 0.00 C ATOM 411 O GLY A 30 -11.938 14.888 2.764 1.00 0.00 O ATOM 0 H GLY A 30 -11.356 11.073 1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.551 13.212 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.158 13.784 0.465 1.00 0.00 H new ATOM 415 N SER A 31 -11.701 12.792 3.547 1.00 0.00 N ATOM 416 CA SER A 31 -11.847 13.180 4.945 1.00 0.00 C ATOM 417 C SER A 31 -10.516 13.065 5.682 1.00 0.00 C ATOM 418 O SER A 31 -10.175 13.914 6.506 1.00 0.00 O ATOM 419 CB SER A 31 -12.900 12.307 5.631 1.00 0.00 C ATOM 420 OG SER A 31 -12.764 12.357 7.040 1.00 0.00 O ATOM 0 H SER A 31 -11.552 11.794 3.400 1.00 0.00 H new ATOM 0 HA SER A 31 -12.171 14.220 4.976 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.897 12.643 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.801 11.277 5.289 1.00 0.00 H new ATOM 0 HG SER A 31 -13.449 11.792 7.455 1.00 0.00 H new ATOM 426 N TYR A 32 -9.769 12.008 5.380 1.00 0.00 N ATOM 427 CA TYR A 32 -8.477 11.780 6.016 1.00 0.00 C ATOM 428 C TYR A 32 -7.353 12.432 5.215 1.00 0.00 C ATOM 429 O TYR A 32 -7.226 12.213 4.011 1.00 0.00 O ATOM 430 CB TYR A 32 -8.213 10.280 6.157 1.00 0.00 C ATOM 431 CG TYR A 32 -6.760 9.941 6.399 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.842 9.941 5.356 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.304 9.620 7.672 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.514 9.632 5.573 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.977 9.311 7.899 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.086 9.317 6.846 1.00 0.00 C ATOM 437 OH TYR A 32 -2.763 9.009 7.066 1.00 0.00 O ATOM 0 H TYR A 32 -10.036 11.297 4.700 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.503 12.233 7.007 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.810 9.890 6.981 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.550 9.774 5.252 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.173 10.187 4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.999 9.612 8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.814 9.637 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.639 9.066 8.895 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.701 8.268 7.704 1.00 0.00 H new ATOM 447 N ALA A 33 -6.540 13.234 5.895 1.00 0.00 N ATOM 448 CA ALA A 33 -5.426 13.916 5.250 1.00 0.00 C ATOM 449 C ALA A 33 -4.123 13.149 5.448 1.00 0.00 C ATOM 450 O ALA A 33 -3.596 13.048 6.557 1.00 0.00 O ATOM 451 CB ALA A 33 -5.293 15.334 5.787 1.00 0.00 C ATOM 0 H ALA A 33 -6.632 13.427 6.892 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.631 13.962 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.457 15.832 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.211 15.886 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.115 15.301 6.862 1.00 0.00 H new ATOM 457 N PRO A 34 -3.590 12.593 4.350 1.00 0.00 N ATOM 458 CA PRO A 34 -2.342 11.824 4.379 1.00 0.00 C ATOM 459 C PRO A 34 -1.125 12.704 4.644 1.00 0.00 C ATOM 460 O PRO A 34 -1.026 13.816 4.124 1.00 0.00 O ATOM 461 CB PRO A 34 -2.267 11.217 2.976 1.00 0.00 C ATOM 462 CG PRO A 34 -3.063 12.141 2.120 1.00 0.00 C ATOM 463 CD PRO A 34 -4.163 12.672 2.997 1.00 0.00 C ATOM 0 HA PRO A 34 -2.338 11.084 5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.236 11.146 2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.679 10.208 2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.442 12.952 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.471 11.618 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.429 13.695 2.733 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.070 12.074 2.910 1.00 0.00 H new ATOM 471 N ARG A 35 -0.201 12.200 5.455 1.00 0.00 N ATOM 472 CA ARG A 35 1.009 12.941 5.789 1.00 0.00 C ATOM 473 C ARG A 35 2.250 12.076 5.588 1.00 0.00 C ATOM 474 O ARG A 35 2.205 10.858 5.768 1.00 0.00 O ATOM 475 CB ARG A 35 0.948 13.434 7.236 1.00 0.00 C ATOM 476 CG ARG A 35 -0.420 13.957 7.644 1.00 0.00 C ATOM 477 CD ARG A 35 -0.307 15.065 8.679 1.00 0.00 C ATOM 478 NE ARG A 35 -1.569 15.294 9.376 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.860 16.420 10.020 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.982 17.413 10.055 1.00 0.00 N ATOM 481 NH2 ARG A 35 -3.031 16.553 10.630 1.00 0.00 N ATOM 0 H ARG A 35 -0.267 11.281 5.893 1.00 0.00 H new ATOM 0 HA ARG A 35 1.074 13.800 5.121 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.229 12.617 7.901 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.686 14.225 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.945 14.331 6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.017 13.140 8.048 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.465 14.807 9.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.010 15.986 8.190 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.266 14.549 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.081 17.314 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.208 18.276 10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.709 15.791 10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.253 17.417 11.124 1.00 0.00 H new ATOM 495 N ARG A 36 3.355 12.712 5.213 1.00 0.00 N ATOM 496 CA ARG A 36 4.607 12.000 4.986 1.00 0.00 C ATOM 497 C ARG A 36 5.027 11.227 6.232 1.00 0.00 C ATOM 498 O ARG A 36 5.451 11.815 7.226 1.00 0.00 O ATOM 499 CB ARG A 36 5.710 12.981 4.585 1.00 0.00 C ATOM 500 CG ARG A 36 7.084 12.341 4.475 1.00 0.00 C ATOM 501 CD ARG A 36 7.948 13.050 3.444 1.00 0.00 C ATOM 502 NE ARG A 36 8.724 14.137 4.036 1.00 0.00 N ATOM 503 CZ ARG A 36 9.890 13.959 4.648 1.00 0.00 C ATOM 504 NH1 ARG A 36 10.410 12.743 4.749 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.537 14.997 5.161 1.00 0.00 N ATOM 0 H ARG A 36 3.409 13.719 5.060 1.00 0.00 H new ATOM 0 HA ARG A 36 4.450 11.289 4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.452 13.433 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.752 13.787 5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.578 12.368 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.977 11.291 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.625 12.331 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.314 13.447 2.651 1.00 0.00 H new ATOM 0 HE ARG A 36 8.350 15.084 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.915 11.942 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.305 12.609 5.219 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.140 15.933 5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.432 14.859 5.631 1.00 0.00 H new ATOM 519 N GLY A 37 4.905 9.905 6.172 1.00 0.00 N ATOM 520 CA GLY A 37 5.276 9.073 7.302 1.00 0.00 C ATOM 521 C GLY A 37 4.085 8.702 8.163 1.00 0.00 C ATOM 522 O GLY A 37 4.237 8.415 9.350 1.00 0.00 O ATOM 0 H GLY A 37 4.556 9.395 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.755 8.164 6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.011 9.599 7.911 1.00 0.00 H new ATOM 526 N GLU A 38 2.898 8.710 7.565 1.00 0.00 N ATOM 527 CA GLU A 38 1.677 8.374 8.288 1.00 0.00 C ATOM 528 C GLU A 38 1.003 7.149 7.678 1.00 0.00 C ATOM 529 O GLU A 38 0.924 7.014 6.457 1.00 0.00 O ATOM 530 CB GLU A 38 0.710 9.560 8.279 1.00 0.00 C ATOM 531 CG GLU A 38 0.909 10.517 9.442 1.00 0.00 C ATOM 532 CD GLU A 38 0.477 9.921 10.768 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.735 9.944 11.063 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.354 9.430 11.510 1.00 0.00 O ATOM 0 H GLU A 38 2.756 8.945 6.583 1.00 0.00 H new ATOM 0 HA GLU A 38 1.947 8.143 9.318 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.829 10.108 7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.313 9.184 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.960 10.799 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.344 11.430 9.257 1.00 0.00 H new ATOM 541 N PHE A 39 0.520 6.257 8.537 1.00 0.00 N ATOM 542 CA PHE A 39 -0.146 5.042 8.083 1.00 0.00 C ATOM 543 C PHE A 39 -1.611 5.315 7.753 1.00 0.00 C ATOM 544 O PHE A 39 -2.224 6.227 8.309 1.00 0.00 O ATOM 545 CB PHE A 39 -0.048 3.952 9.153 1.00 0.00 C ATOM 546 CG PHE A 39 1.315 3.327 9.248 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.714 2.360 8.340 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.197 3.708 10.247 1.00 0.00 C ATOM 549 CE1 PHE A 39 2.967 1.784 8.427 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.452 3.135 10.338 1.00 0.00 C ATOM 551 CZ PHE A 39 3.837 2.172 9.426 1.00 0.00 C ATOM 0 H PHE A 39 0.577 6.353 9.551 1.00 0.00 H new ATOM 0 HA PHE A 39 0.355 4.700 7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.312 4.379 10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.781 3.175 8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.038 2.053 7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.901 4.461 10.962 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.266 1.030 7.713 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.130 3.440 11.121 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.817 1.723 9.494 1.00 0.00 H new ATOM 561 N CYS A 40 -2.164 4.519 6.844 1.00 0.00 N ATOM 562 CA CYS A 40 -3.556 4.675 6.438 1.00 0.00 C ATOM 563 C CYS A 40 -3.970 3.564 5.479 1.00 0.00 C ATOM 564 O CYS A 40 -3.137 2.778 5.026 1.00 0.00 O ATOM 565 CB CYS A 40 -3.767 6.039 5.778 1.00 0.00 C ATOM 566 SG CYS A 40 -2.653 6.369 4.393 1.00 0.00 S ATOM 0 H CYS A 40 -1.670 3.760 6.375 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.178 4.611 7.331 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.796 6.105 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.636 6.818 6.529 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.910 7.544 3.900 1.00 0.00 H new ATOM 572 N ILE A 41 -5.262 3.502 5.176 1.00 0.00 N ATOM 573 CA ILE A 41 -5.787 2.486 4.271 1.00 0.00 C ATOM 574 C ILE A 41 -6.032 3.062 2.881 1.00 0.00 C ATOM 575 O ILE A 41 -6.632 4.126 2.735 1.00 0.00 O ATOM 576 CB ILE A 41 -7.100 1.882 4.804 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.145 2.981 5.009 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.849 1.132 6.103 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.506 2.453 5.408 1.00 0.00 C ATOM 0 H ILE A 41 -5.965 4.143 5.544 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.035 1.700 4.208 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.483 1.175 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.791 3.669 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.243 3.555 4.088 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.786 0.711 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.134 0.328 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.446 1.819 6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.196 3.287 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.881 1.788 4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.423 1.904 6.346 1.00 0.00 H new ATOM 591 N ALA A 42 -5.565 2.349 1.861 1.00 0.00 N ATOM 592 CA ALA A 42 -5.737 2.787 0.481 1.00 0.00 C ATOM 593 C ALA A 42 -6.674 1.853 -0.278 1.00 0.00 C ATOM 594 O ALA A 42 -6.667 0.641 -0.065 1.00 0.00 O ATOM 595 CB ALA A 42 -4.389 2.868 -0.219 1.00 0.00 C ATOM 0 H ALA A 42 -5.065 1.466 1.964 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.187 3.780 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.533 3.196 -1.248 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.750 3.580 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.917 1.886 -0.214 1.00 0.00 H new ATOM 601 N LYS A 43 -7.481 2.426 -1.165 1.00 0.00 N ATOM 602 CA LYS A 43 -8.424 1.646 -1.957 1.00 0.00 C ATOM 603 C LYS A 43 -7.762 1.116 -3.226 1.00 0.00 C ATOM 604 O LYS A 43 -7.169 1.876 -3.992 1.00 0.00 O ATOM 605 CB LYS A 43 -9.642 2.497 -2.323 1.00 0.00 C ATOM 606 CG LYS A 43 -10.923 1.695 -2.473 1.00 0.00 C ATOM 607 CD LYS A 43 -12.149 2.591 -2.444 1.00 0.00 C ATOM 608 CE LYS A 43 -13.374 1.844 -1.938 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.639 2.445 -2.444 1.00 0.00 N ATOM 0 H LYS A 43 -7.501 3.428 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.749 0.797 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.787 3.257 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.440 3.022 -3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.898 1.141 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.989 0.960 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.957 3.452 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.344 2.975 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.318 0.801 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.379 1.851 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.450 1.907 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.706 3.433 -2.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.646 2.415 -3.484 1.00 0.00 H new ATOM 623 N PHE A 44 -7.869 -0.191 -3.442 1.00 0.00 N ATOM 624 CA PHE A 44 -7.281 -0.821 -4.618 1.00 0.00 C ATOM 625 C PHE A 44 -8.232 -0.744 -5.809 1.00 0.00 C ATOM 626 O PHE A 44 -9.448 -0.654 -5.642 1.00 0.00 O ATOM 627 CB PHE A 44 -6.935 -2.282 -4.321 1.00 0.00 C ATOM 628 CG PHE A 44 -5.862 -2.837 -5.213 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.646 -2.187 -5.344 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.070 -4.011 -5.920 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.657 -2.696 -6.164 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.084 -4.525 -6.742 1.00 0.00 C ATOM 633 CZ PHE A 44 -3.876 -3.866 -6.864 1.00 0.00 C ATOM 0 H PHE A 44 -8.357 -0.834 -2.818 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.367 -0.282 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.613 -2.367 -3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.834 -2.889 -4.427 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.469 -1.272 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.013 -4.530 -5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.713 -2.179 -6.257 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.258 -5.440 -7.288 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.104 -4.265 -7.506 1.00 0.00 H new ATOM 643 N VAL A 45 -7.668 -0.781 -7.012 1.00 0.00 N ATOM 644 CA VAL A 45 -8.464 -0.716 -8.232 1.00 0.00 C ATOM 645 C VAL A 45 -9.689 -1.619 -8.138 1.00 0.00 C ATOM 646 O VAL A 45 -10.677 -1.417 -8.843 1.00 0.00 O ATOM 647 CB VAL A 45 -7.635 -1.120 -9.466 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.416 -0.222 -9.608 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.223 -2.582 -9.374 1.00 0.00 C ATOM 0 H VAL A 45 -6.663 -0.856 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.787 0.319 -8.344 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.253 -0.995 -10.355 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.843 -0.523 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.738 0.813 -9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.792 -0.312 -8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.638 -2.851 -10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.622 -2.735 -8.478 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.114 -3.209 -9.325 1.00 0.00 H new ATOM 659 N ASP A 46 -9.616 -2.615 -7.262 1.00 0.00 N ATOM 660 CA ASP A 46 -10.720 -3.549 -7.073 1.00 0.00 C ATOM 661 C ASP A 46 -11.559 -3.161 -5.860 1.00 0.00 C ATOM 662 O ASP A 46 -12.157 -4.016 -5.207 1.00 0.00 O ATOM 663 CB ASP A 46 -10.188 -4.973 -6.907 1.00 0.00 C ATOM 664 CG ASP A 46 -11.280 -6.017 -7.028 1.00 0.00 C ATOM 665 OD1 ASP A 46 -12.149 -5.868 -7.913 1.00 0.00 O ATOM 666 OD2 ASP A 46 -11.266 -6.985 -6.239 1.00 0.00 O ATOM 0 H ASP A 46 -8.804 -2.796 -6.672 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.354 -3.507 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.424 -5.162 -7.661 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.706 -5.067 -5.934 1.00 0.00 H new ATOM 671 N GLY A 47 -11.598 -1.866 -5.563 1.00 0.00 N ATOM 672 CA GLY A 47 -12.365 -1.388 -4.428 1.00 0.00 C ATOM 673 C GLY A 47 -12.028 -2.126 -3.147 1.00 0.00 C ATOM 674 O GLY A 47 -12.874 -2.272 -2.267 1.00 0.00 O ATOM 0 H GLY A 47 -11.112 -1.139 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.178 -0.323 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.428 -1.500 -4.639 1.00 0.00 H new ATOM 678 N GLU A 48 -10.788 -2.594 -3.045 1.00 0.00 N ATOM 679 CA GLU A 48 -10.342 -3.323 -1.864 1.00 0.00 C ATOM 680 C GLU A 48 -9.413 -2.463 -1.011 1.00 0.00 C ATOM 681 O GLU A 48 -8.383 -1.986 -1.486 1.00 0.00 O ATOM 682 CB GLU A 48 -9.628 -4.613 -2.273 1.00 0.00 C ATOM 683 CG GLU A 48 -10.567 -5.691 -2.787 1.00 0.00 C ATOM 684 CD GLU A 48 -9.845 -6.767 -3.575 1.00 0.00 C ATOM 685 OE1 GLU A 48 -8.943 -6.419 -4.366 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.181 -7.957 -3.400 1.00 0.00 O ATOM 0 H GLU A 48 -10.075 -2.481 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.221 -3.575 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.895 -4.383 -3.046 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.077 -5.001 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.084 -6.149 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.329 -5.233 -3.418 1.00 0.00 H new ATOM 693 N TRP A 49 -9.786 -2.270 0.249 1.00 0.00 N ATOM 694 CA TRP A 49 -8.987 -1.468 1.168 1.00 0.00 C ATOM 695 C TRP A 49 -7.783 -2.255 1.673 1.00 0.00 C ATOM 696 O TRP A 49 -7.896 -3.437 2.000 1.00 0.00 O ATOM 697 CB TRP A 49 -9.842 -1.004 2.348 1.00 0.00 C ATOM 698 CG TRP A 49 -10.838 0.053 1.981 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.144 -0.138 1.628 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.609 1.466 1.929 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.740 1.071 1.360 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.820 2.070 1.538 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.500 2.279 2.176 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.949 3.448 1.389 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.630 3.646 2.027 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.847 4.220 1.637 1.00 0.00 C ATOM 0 H TRP A 49 -10.636 -2.658 0.657 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.624 -0.594 0.627 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.370 -1.862 2.764 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.189 -0.621 3.132 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.636 -1.098 1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.710 1.203 1.075 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.558 1.846 2.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.886 3.892 1.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.779 4.283 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.917 5.292 1.530 1.00 0.00 H new ATOM 717 N TYR A 50 -6.633 -1.594 1.736 1.00 0.00 N ATOM 718 CA TYR A 50 -5.408 -2.234 2.201 1.00 0.00 C ATOM 719 C TYR A 50 -4.554 -1.258 3.004 1.00 0.00 C ATOM 720 O TYR A 50 -4.656 -0.043 2.835 1.00 0.00 O ATOM 721 CB TYR A 50 -4.607 -2.773 1.014 1.00 0.00 C ATOM 722 CG TYR A 50 -5.301 -3.894 0.274 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.382 -5.168 0.822 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.876 -3.680 -0.973 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.014 -6.196 0.150 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.511 -4.701 -1.652 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.577 -5.958 -1.087 1.00 0.00 C ATOM 728 OH TYR A 50 -7.209 -6.979 -1.759 1.00 0.00 O ATOM 0 H TYR A 50 -6.523 -0.615 1.471 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.686 -3.064 2.850 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.410 -1.957 0.319 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.640 -3.128 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.943 -5.358 1.790 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.825 -2.698 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.067 -7.181 0.590 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.953 -4.517 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.592 -7.608 -1.113 1.00 0.00 H new ATOM 738 N ARG A 51 -3.712 -1.799 3.877 1.00 0.00 N ATOM 739 CA ARG A 51 -2.839 -0.977 4.708 1.00 0.00 C ATOM 740 C ARG A 51 -1.678 -0.420 3.890 1.00 0.00 C ATOM 741 O ARG A 51 -1.030 -1.147 3.138 1.00 0.00 O ATOM 742 CB ARG A 51 -2.303 -1.794 5.885 1.00 0.00 C ATOM 743 CG ARG A 51 -3.223 -1.796 7.094 1.00 0.00 C ATOM 744 CD ARG A 51 -2.446 -1.998 8.386 1.00 0.00 C ATOM 745 NE ARG A 51 -2.321 -3.410 8.735 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.356 -4.198 8.275 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.436 -3.715 7.451 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.309 -5.474 8.638 1.00 0.00 N ATOM 0 H ARG A 51 -3.615 -2.803 4.028 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.424 -0.141 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.142 -2.822 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.331 -1.397 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.768 -0.853 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.965 -2.588 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.453 -1.561 8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.946 -1.467 9.196 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.013 -3.813 9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.468 -2.735 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.304 -4.323 7.100 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.015 -5.850 9.271 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.567 -6.078 8.284 1.00 0.00 H new ATOM 762 N ALA A 52 -1.422 0.876 4.043 1.00 0.00 N ATOM 763 CA ALA A 52 -0.338 1.530 3.321 1.00 0.00 C ATOM 764 C ALA A 52 0.213 2.712 4.111 1.00 0.00 C ATOM 765 O ALA A 52 -0.528 3.405 4.808 1.00 0.00 O ATOM 766 CB ALA A 52 -0.818 1.987 1.951 1.00 0.00 C ATOM 0 H ALA A 52 -1.951 1.493 4.660 1.00 0.00 H new ATOM 0 HA ALA A 52 0.467 0.807 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.001 2.474 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.158 1.124 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.642 2.691 2.070 1.00 0.00 H new ATOM 772 N ARG A 53 1.518 2.935 3.999 1.00 0.00 N ATOM 773 CA ARG A 53 2.169 4.032 4.705 1.00 0.00 C ATOM 774 C ARG A 53 2.544 5.153 3.741 1.00 0.00 C ATOM 775 O ARG A 53 3.305 4.945 2.796 1.00 0.00 O ATOM 776 CB ARG A 53 3.419 3.530 5.431 1.00 0.00 C ATOM 777 CG ARG A 53 4.150 4.613 6.207 1.00 0.00 C ATOM 778 CD ARG A 53 5.218 4.024 7.114 1.00 0.00 C ATOM 779 NE ARG A 53 5.546 4.915 8.224 1.00 0.00 N ATOM 780 CZ ARG A 53 6.237 4.535 9.293 1.00 0.00 C ATOM 781 NH1 ARG A 53 6.670 3.286 9.396 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.495 5.405 10.261 1.00 0.00 N ATOM 0 H ARG A 53 2.145 2.371 3.426 1.00 0.00 H new ATOM 0 HA ARG A 53 1.465 4.427 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.134 2.733 6.117 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.102 3.094 4.702 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.609 5.314 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.435 5.179 6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.873 3.068 7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.118 3.824 6.532 1.00 0.00 H new ATOM 0 HE ARG A 53 5.227 5.883 8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.473 2.615 8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.200 2.996 10.218 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.163 6.366 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.026 5.112 11.082 1.00 0.00 H new ATOM 796 N VAL A 54 2.005 6.343 3.986 1.00 0.00 N ATOM 797 CA VAL A 54 2.283 7.498 3.140 1.00 0.00 C ATOM 798 C VAL A 54 3.782 7.664 2.912 1.00 0.00 C ATOM 799 O VAL A 54 4.556 7.761 3.864 1.00 0.00 O ATOM 800 CB VAL A 54 1.722 8.793 3.756 1.00 0.00 C ATOM 801 CG1 VAL A 54 2.110 9.998 2.912 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.210 8.701 3.903 1.00 0.00 C ATOM 0 H VAL A 54 1.373 6.533 4.764 1.00 0.00 H new ATOM 0 HA VAL A 54 1.791 7.316 2.185 1.00 0.00 H new ATOM 0 HB VAL A 54 2.155 8.920 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.705 10.904 3.363 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.196 10.072 2.862 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.707 9.882 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.170 9.625 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.242 8.550 2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.042 7.862 4.552 1.00 0.00 H new ATOM 812 N GLU A 55 4.182 7.697 1.645 1.00 0.00 N ATOM 813 CA GLU A 55 5.589 7.851 1.293 1.00 0.00 C ATOM 814 C GLU A 55 5.894 9.292 0.893 1.00 0.00 C ATOM 815 O GLU A 55 6.892 9.870 1.324 1.00 0.00 O ATOM 816 CB GLU A 55 5.959 6.903 0.151 1.00 0.00 C ATOM 817 CG GLU A 55 5.810 5.434 0.507 1.00 0.00 C ATOM 818 CD GLU A 55 6.563 4.524 -0.444 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.419 4.699 -1.672 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.296 3.636 0.041 1.00 0.00 O ATOM 0 H GLU A 55 3.553 7.619 0.846 1.00 0.00 H new ATOM 0 HA GLU A 55 6.187 7.601 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.331 7.125 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.990 7.093 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.172 5.272 1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.753 5.167 0.499 1.00 0.00 H new ATOM 827 N LYS A 56 5.028 9.866 0.064 1.00 0.00 N ATOM 828 CA LYS A 56 5.203 11.238 -0.395 1.00 0.00 C ATOM 829 C LYS A 56 3.864 11.855 -0.788 1.00 0.00 C ATOM 830 O LYS A 56 3.245 11.446 -1.770 1.00 0.00 O ATOM 831 CB LYS A 56 6.165 11.281 -1.585 1.00 0.00 C ATOM 832 CG LYS A 56 5.892 12.424 -2.547 1.00 0.00 C ATOM 833 CD LYS A 56 7.097 12.712 -3.427 1.00 0.00 C ATOM 834 CE LYS A 56 6.835 13.879 -4.366 1.00 0.00 C ATOM 835 NZ LYS A 56 6.299 13.425 -5.679 1.00 0.00 N ATOM 0 H LYS A 56 4.198 9.401 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 56 5.624 11.818 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.186 11.366 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.101 10.338 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.034 12.177 -3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.629 13.320 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.961 12.934 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.345 11.824 -4.009 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.127 14.566 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.760 14.433 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.118 14.251 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.993 12.803 -6.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.412 12.904 -5.530 1.00 0.00 H new ATOM 849 N VAL A 57 3.423 12.842 -0.015 1.00 0.00 N ATOM 850 CA VAL A 57 2.159 13.517 -0.283 1.00 0.00 C ATOM 851 C VAL A 57 2.359 14.708 -1.214 1.00 0.00 C ATOM 852 O VAL A 57 2.964 15.710 -0.833 1.00 0.00 O ATOM 853 CB VAL A 57 1.494 14.003 1.018 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.144 14.637 0.724 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.349 12.852 2.003 1.00 0.00 C ATOM 0 H VAL A 57 3.923 13.192 0.802 1.00 0.00 H new ATOM 0 HA VAL A 57 1.507 12.788 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 57 2.133 14.761 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.310 14.974 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.279 15.489 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.507 13.903 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.877 13.213 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.732 12.070 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.334 12.448 2.238 1.00 0.00 H new ATOM 865 N GLU A 58 1.846 14.591 -2.435 1.00 0.00 N ATOM 866 CA GLU A 58 1.969 15.659 -3.420 1.00 0.00 C ATOM 867 C GLU A 58 0.780 16.612 -3.340 1.00 0.00 C ATOM 868 O GLU A 58 0.935 17.789 -3.012 1.00 0.00 O ATOM 869 CB GLU A 58 2.075 15.074 -4.829 1.00 0.00 C ATOM 870 CG GLU A 58 3.492 14.700 -5.229 1.00 0.00 C ATOM 871 CD GLU A 58 4.355 15.912 -5.521 1.00 0.00 C ATOM 872 OE1 GLU A 58 4.437 16.805 -4.653 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.948 15.967 -6.619 1.00 0.00 O ATOM 0 H GLU A 58 1.342 13.768 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 58 2.877 16.220 -3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.443 14.188 -4.894 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.684 15.798 -5.544 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.949 14.117 -4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.460 14.061 -6.111 1.00 0.00 H new ATOM 880 N SER A 59 -0.406 16.095 -3.644 1.00 0.00 N ATOM 881 CA SER A 59 -1.622 16.900 -3.612 1.00 0.00 C ATOM 882 C SER A 59 -2.834 16.040 -3.270 1.00 0.00 C ATOM 883 O SER A 59 -2.807 14.813 -3.376 1.00 0.00 O ATOM 884 CB SER A 59 -1.836 17.592 -4.959 1.00 0.00 C ATOM 885 OG SER A 59 -0.601 17.848 -5.604 1.00 0.00 O ATOM 0 H SER A 59 -0.551 15.122 -3.915 1.00 0.00 H new ATOM 0 HA SER A 59 -1.507 17.658 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.460 16.967 -5.597 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.372 18.529 -4.809 1.00 0.00 H new ATOM 0 HG SER A 59 -0.766 18.289 -6.463 1.00 0.00 H new ATOM 891 N PRO A 60 -3.925 16.697 -2.849 1.00 0.00 N ATOM 892 CA PRO A 60 -5.169 16.013 -2.483 1.00 0.00 C ATOM 893 C PRO A 60 -5.597 14.989 -3.529 1.00 0.00 C ATOM 894 O PRO A 60 -6.421 14.116 -3.257 1.00 0.00 O ATOM 895 CB PRO A 60 -6.189 17.151 -2.401 1.00 0.00 C ATOM 896 CG PRO A 60 -5.380 18.362 -2.086 1.00 0.00 C ATOM 897 CD PRO A 60 -4.029 18.158 -2.699 1.00 0.00 C ATOM 0 HA PRO A 60 -5.065 15.447 -1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.728 17.268 -3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.934 16.960 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.854 19.258 -2.487 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.297 18.501 -1.008 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.946 18.665 -3.660 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.237 18.551 -2.061 1.00 0.00 H new ATOM 905 N ALA A 61 -5.032 15.102 -4.727 1.00 0.00 N ATOM 906 CA ALA A 61 -5.353 14.184 -5.813 1.00 0.00 C ATOM 907 C ALA A 61 -4.225 13.183 -6.037 1.00 0.00 C ATOM 908 O ALA A 61 -4.433 12.116 -6.617 1.00 0.00 O ATOM 909 CB ALA A 61 -5.636 14.958 -7.091 1.00 0.00 C ATOM 0 H ALA A 61 -4.350 15.820 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.247 13.627 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.874 14.260 -7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.480 15.629 -6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.757 15.541 -7.366 1.00 0.00 H new ATOM 915 N LYS A 62 -3.029 13.532 -5.576 1.00 0.00 N ATOM 916 CA LYS A 62 -1.867 12.664 -5.726 1.00 0.00 C ATOM 917 C LYS A 62 -1.188 12.427 -4.380 1.00 0.00 C ATOM 918 O LYS A 62 -0.651 13.355 -3.774 1.00 0.00 O ATOM 919 CB LYS A 62 -0.870 13.278 -6.711 1.00 0.00 C ATOM 920 CG LYS A 62 -1.367 13.298 -8.146 1.00 0.00 C ATOM 921 CD LYS A 62 -0.216 13.216 -9.135 1.00 0.00 C ATOM 922 CE LYS A 62 -0.677 12.685 -10.484 1.00 0.00 C ATOM 923 NZ LYS A 62 0.406 12.748 -11.504 1.00 0.00 N ATOM 0 H LYS A 62 -2.839 14.411 -5.095 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.209 11.705 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.645 14.298 -6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.064 12.718 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.048 12.462 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.936 14.211 -8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.226 14.204 -9.263 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.564 12.568 -8.735 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.012 11.654 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.534 13.263 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.052 12.377 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.709 13.735 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.215 12.175 -11.188 1.00 0.00 H new ATOM 937 N ILE A 63 -1.216 11.181 -3.921 1.00 0.00 N ATOM 938 CA ILE A 63 -0.600 10.823 -2.649 1.00 0.00 C ATOM 939 C ILE A 63 0.208 9.535 -2.772 1.00 0.00 C ATOM 940 O ILE A 63 -0.353 8.451 -2.937 1.00 0.00 O ATOM 941 CB ILE A 63 -1.657 10.649 -1.541 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.741 11.721 -1.668 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.001 10.710 -0.170 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.321 13.071 -1.131 1.00 0.00 C ATOM 0 H ILE A 63 -1.658 10.403 -4.410 1.00 0.00 H new ATOM 0 HA ILE A 63 0.066 11.642 -2.379 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.125 9.671 -1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.016 11.826 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.633 11.389 -1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.760 10.586 0.602 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.262 9.913 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.510 11.675 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.138 13.782 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.074 12.981 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.447 13.425 -1.679 1.00 0.00 H new ATOM 956 N HIS A 64 1.528 9.662 -2.688 1.00 0.00 N ATOM 957 CA HIS A 64 2.414 8.507 -2.788 1.00 0.00 C ATOM 958 C HIS A 64 2.325 7.644 -1.533 1.00 0.00 C ATOM 959 O HIS A 64 2.460 8.141 -0.414 1.00 0.00 O ATOM 960 CB HIS A 64 3.857 8.963 -3.007 1.00 0.00 C ATOM 961 CG HIS A 64 4.030 9.852 -4.199 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.883 9.556 -5.241 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.453 11.036 -4.512 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.824 10.520 -6.143 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.963 11.430 -5.724 1.00 0.00 N ATOM 0 H HIS A 64 2.008 10.552 -2.551 1.00 0.00 H new ATOM 0 HA HIS A 64 2.096 7.909 -3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.201 9.491 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.493 8.085 -3.123 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.468 8.723 -5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.726 11.571 -3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.384 10.557 -7.066 1.00 0.00 H new ATOM 973 N VAL A 65 2.097 6.349 -1.726 1.00 0.00 N ATOM 974 CA VAL A 65 1.990 5.417 -0.610 1.00 0.00 C ATOM 975 C VAL A 65 2.616 4.071 -0.956 1.00 0.00 C ATOM 976 O VAL A 65 3.012 3.834 -2.098 1.00 0.00 O ATOM 977 CB VAL A 65 0.521 5.198 -0.200 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.006 6.386 0.596 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.343 4.953 -1.428 1.00 0.00 C ATOM 0 H VAL A 65 1.983 5.921 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 65 2.530 5.861 0.226 1.00 0.00 H new ATOM 0 HB VAL A 65 0.467 4.315 0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.033 6.213 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.609 6.510 1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.072 7.288 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.377 4.800 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.285 5.816 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.014 4.067 -1.953 1.00 0.00 H new ATOM 989 N PHE A 66 2.702 3.191 0.036 1.00 0.00 N ATOM 990 CA PHE A 66 3.280 1.868 -0.163 1.00 0.00 C ATOM 991 C PHE A 66 2.522 0.816 0.641 1.00 0.00 C ATOM 992 O PHE A 66 2.456 0.886 1.869 1.00 0.00 O ATOM 993 CB PHE A 66 4.757 1.867 0.239 1.00 0.00 C ATOM 994 CG PHE A 66 5.318 0.491 0.458 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.755 -0.271 -0.614 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.409 -0.039 1.734 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.271 -1.538 -0.416 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.925 -1.305 1.939 1.00 0.00 C ATOM 999 CZ PHE A 66 6.357 -2.055 0.862 1.00 0.00 C ATOM 0 H PHE A 66 2.378 3.371 0.986 1.00 0.00 H new ATOM 0 HA PHE A 66 3.198 1.619 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.337 2.368 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.877 2.449 1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.692 0.129 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.073 0.544 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.607 -2.123 -1.260 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.990 -1.707 2.939 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.761 -3.044 1.019 1.00 0.00 H new ATOM 1009 N TYR A 67 1.951 -0.157 -0.059 1.00 0.00 N ATOM 1010 CA TYR A 67 1.194 -1.222 0.588 1.00 0.00 C ATOM 1011 C TYR A 67 2.103 -2.085 1.458 1.00 0.00 C ATOM 1012 O TYR A 67 2.925 -2.849 0.949 1.00 0.00 O ATOM 1013 CB TYR A 67 0.497 -2.091 -0.461 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.585 -1.365 -1.227 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.264 -0.446 -2.219 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.928 -1.598 -0.961 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.249 0.220 -2.921 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.920 -0.938 -1.659 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.576 -0.029 -2.638 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.560 0.632 -3.336 1.00 0.00 O ATOM 0 H TYR A 67 1.998 -0.231 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 67 0.440 -0.761 1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.241 -2.463 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.061 -2.960 0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.774 -0.249 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.201 -2.308 -0.195 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.982 0.932 -3.688 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.959 -1.132 -1.440 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.440 0.342 -3.016 1.00 0.00 H new ATOM 1030 N ILE A 68 1.949 -1.958 2.771 1.00 0.00 N ATOM 1031 CA ILE A 68 2.753 -2.727 3.712 1.00 0.00 C ATOM 1032 C ILE A 68 2.189 -4.131 3.899 1.00 0.00 C ATOM 1033 O ILE A 68 2.519 -4.821 4.864 1.00 0.00 O ATOM 1034 CB ILE A 68 2.833 -2.032 5.084 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.519 -2.209 5.848 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.156 -0.555 4.911 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.577 -1.710 7.274 1.00 0.00 C ATOM 0 H ILE A 68 1.275 -1.330 3.208 1.00 0.00 H new ATOM 0 HA ILE A 68 3.755 -2.794 3.288 1.00 0.00 H new ATOM 0 HB ILE A 68 3.633 -2.494 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.726 -1.680 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.250 -3.265 5.852 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.209 -0.077 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.114 -0.449 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.376 -0.079 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.611 -1.867 7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.347 -2.256 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.815 -0.646 7.278 1.00 0.00 H new ATOM 1049 N ASP A 69 1.339 -4.550 2.968 1.00 0.00 N ATOM 1050 CA ASP A 69 0.730 -5.874 3.028 1.00 0.00 C ATOM 1051 C ASP A 69 1.228 -6.753 1.885 1.00 0.00 C ATOM 1052 O ASP A 69 1.446 -7.952 2.060 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.794 -5.761 2.974 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.333 -4.730 3.946 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.364 -5.019 5.160 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.724 -3.634 3.492 1.00 0.00 O ATOM 0 H ASP A 69 1.056 -3.992 2.163 1.00 0.00 H new ATOM 0 HA ASP A 69 1.019 -6.337 3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.100 -5.497 1.962 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.236 -6.732 3.197 1.00 0.00 H new ATOM 1061 N TYR A 70 1.406 -6.149 0.715 1.00 0.00 N ATOM 1062 CA TYR A 70 1.875 -6.877 -0.458 1.00 0.00 C ATOM 1063 C TYR A 70 3.307 -6.484 -0.807 1.00 0.00 C ATOM 1064 O TYR A 70 4.115 -7.323 -1.201 1.00 0.00 O ATOM 1065 CB TYR A 70 0.955 -6.611 -1.651 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.481 -7.017 -1.411 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.288 -6.305 -0.532 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -1.032 -8.112 -2.065 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.600 -6.674 -0.309 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.344 -8.487 -1.850 1.00 0.00 C ATOM 1071 CZ TYR A 70 -3.124 -7.765 -0.971 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.432 -8.134 -0.753 1.00 0.00 O ATOM 0 H TYR A 70 1.232 -5.157 0.554 1.00 0.00 H new ATOM 0 HA TYR A 70 1.857 -7.942 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.988 -5.549 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.335 -7.149 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.882 -5.448 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.424 -8.680 -2.754 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.213 -6.111 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.757 -9.341 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.013 -7.350 -0.847 1.00 0.00 H new ATOM 1082 N GLY A 71 3.614 -5.198 -0.658 1.00 0.00 N ATOM 1083 CA GLY A 71 4.948 -4.714 -0.960 1.00 0.00 C ATOM 1084 C GLY A 71 5.015 -3.995 -2.293 1.00 0.00 C ATOM 1085 O GLY A 71 5.905 -4.254 -3.101 1.00 0.00 O ATOM 0 H GLY A 71 2.962 -4.484 -0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.274 -4.038 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.643 -5.554 -0.968 1.00 0.00 H new ATOM 1089 N ASN A 72 4.069 -3.089 -2.523 1.00 0.00 N ATOM 1090 CA ASN A 72 4.024 -2.332 -3.768 1.00 0.00 C ATOM 1091 C ASN A 72 3.691 -0.867 -3.502 1.00 0.00 C ATOM 1092 O ASN A 72 3.105 -0.530 -2.473 1.00 0.00 O ATOM 1093 CB ASN A 72 2.989 -2.936 -4.720 1.00 0.00 C ATOM 1094 CG ASN A 72 1.576 -2.827 -4.181 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.218 -3.488 -3.206 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.764 -1.990 -4.817 1.00 0.00 N ATOM 0 H ASN A 72 3.324 -2.862 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 72 5.009 -2.385 -4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.047 -2.431 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.229 -3.985 -4.895 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.199 -1.875 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.104 -1.462 -5.621 1.00 0.00 H new ATOM 1103 N ARG A 73 4.070 0.000 -4.436 1.00 0.00 N ATOM 1104 CA ARG A 73 3.812 1.428 -4.302 1.00 0.00 C ATOM 1105 C ARG A 73 2.814 1.902 -5.355 1.00 0.00 C ATOM 1106 O ARG A 73 2.727 1.331 -6.441 1.00 0.00 O ATOM 1107 CB ARG A 73 5.117 2.217 -4.429 1.00 0.00 C ATOM 1108 CG ARG A 73 6.198 1.766 -3.460 1.00 0.00 C ATOM 1109 CD ARG A 73 7.561 2.315 -3.852 1.00 0.00 C ATOM 1110 NE ARG A 73 8.426 2.512 -2.692 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.626 3.078 -2.758 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.101 3.499 -3.922 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.354 3.222 -1.658 1.00 0.00 N ATOM 0 H ARG A 73 4.557 -0.262 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 73 3.383 1.603 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.492 2.122 -5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.910 3.274 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.947 2.098 -2.453 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.236 0.677 -3.437 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.041 1.629 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.433 3.263 -4.374 1.00 0.00 H new ATOM 0 HE ARG A 73 8.090 2.198 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.545 3.389 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.023 3.933 -3.970 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.992 2.898 -0.761 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.275 3.657 -1.709 1.00 0.00 H new ATOM 1127 N GLU A 74 2.065 2.949 -5.023 1.00 0.00 N ATOM 1128 CA GLU A 74 1.072 3.498 -5.940 1.00 0.00 C ATOM 1129 C GLU A 74 0.680 4.915 -5.533 1.00 0.00 C ATOM 1130 O GLU A 74 0.568 5.223 -4.346 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.170 2.604 -5.977 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.221 3.064 -6.973 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.813 2.809 -8.411 1.00 0.00 C ATOM 1134 OE1 GLU A 74 0.183 3.412 -8.862 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.492 2.006 -9.086 1.00 0.00 O ATOM 0 H GLU A 74 2.127 3.433 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 74 1.515 3.534 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.132 1.586 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.614 2.572 -4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.160 2.549 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.405 4.129 -6.835 1.00 0.00 H new ATOM 1142 N VAL A 75 0.473 5.774 -6.526 1.00 0.00 N ATOM 1143 CA VAL A 75 0.094 7.159 -6.272 1.00 0.00 C ATOM 1144 C VAL A 75 -1.418 7.338 -6.355 1.00 0.00 C ATOM 1145 O VAL A 75 -1.983 7.443 -7.444 1.00 0.00 O ATOM 1146 CB VAL A 75 0.769 8.118 -7.271 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.286 9.543 -7.051 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.283 8.034 -7.149 1.00 0.00 C ATOM 0 H VAL A 75 0.561 5.535 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 75 0.431 7.400 -5.264 1.00 0.00 H new ATOM 0 HB VAL A 75 0.492 7.818 -8.282 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.773 10.207 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.794 9.587 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.532 9.858 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.744 8.718 -7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.582 8.308 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.609 7.016 -7.360 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.068 7.372 -5.197 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.516 7.540 -5.138 1.00 0.00 C ATOM 1160 C LEU A 76 -3.886 8.828 -4.410 1.00 0.00 C ATOM 1161 O LEU A 76 -3.147 9.323 -3.558 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.160 6.342 -4.437 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.647 4.964 -4.856 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.754 3.980 -3.702 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.416 4.455 -6.067 1.00 0.00 C ATOM 0 H LEU A 76 -1.616 7.286 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.892 7.601 -6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.011 6.452 -3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.235 6.377 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.596 5.057 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.384 3.005 -4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.158 4.338 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.796 3.890 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.038 3.473 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.475 4.378 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.287 5.149 -6.898 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.058 9.385 -4.750 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.554 10.621 -4.138 1.00 0.00 C ATOM 1179 C PRO A 77 -5.958 10.426 -2.681 1.00 0.00 C ATOM 1180 O PRO A 77 -5.991 9.301 -2.181 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.777 10.972 -4.989 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.233 9.670 -5.552 1.00 0.00 C ATOM 1183 CD PRO A 77 -5.990 8.849 -5.757 1.00 0.00 C ATOM 0 HA PRO A 77 -4.792 11.400 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.557 11.438 -4.387 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.520 11.677 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.923 9.171 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.764 9.816 -6.493 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.180 7.787 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.597 8.960 -6.768 1.00 0.00 H new ATOM 1191 N SER A 78 -6.265 11.528 -2.004 1.00 0.00 N ATOM 1192 CA SER A 78 -6.664 11.477 -0.602 1.00 0.00 C ATOM 1193 C SER A 78 -8.065 10.892 -0.456 1.00 0.00 C ATOM 1194 O SER A 78 -8.540 10.656 0.655 1.00 0.00 O ATOM 1195 CB SER A 78 -6.617 12.877 0.014 1.00 0.00 C ATOM 1196 OG SER A 78 -7.249 12.898 1.282 1.00 0.00 O ATOM 0 H SER A 78 -6.245 12.466 -2.403 1.00 0.00 H new ATOM 0 HA SER A 78 -5.963 10.831 -0.074 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.580 13.198 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.107 13.587 -0.652 1.00 0.00 H new ATOM 0 HG SER A 78 -7.759 12.071 1.407 1.00 0.00 H new ATOM 1202 N THR A 79 -8.723 10.660 -1.588 1.00 0.00 N ATOM 1203 CA THR A 79 -10.070 10.104 -1.588 1.00 0.00 C ATOM 1204 C THR A 79 -10.048 8.609 -1.289 1.00 0.00 C ATOM 1205 O THR A 79 -10.880 8.106 -0.534 1.00 0.00 O ATOM 1206 CB THR A 79 -10.773 10.335 -2.939 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.954 9.846 -4.007 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.064 11.813 -3.152 1.00 0.00 C ATOM 0 H THR A 79 -8.345 10.849 -2.516 1.00 0.00 H new ATOM 0 HA THR A 79 -10.625 10.620 -0.805 1.00 0.00 H new ATOM 0 HB THR A 79 -11.719 9.793 -2.929 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.409 9.995 -4.862 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.561 11.951 -4.112 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.711 12.175 -2.353 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.129 12.373 -3.143 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.091 7.905 -1.885 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.961 6.468 -1.682 1.00 0.00 C ATOM 1218 C ARG A 80 -8.267 6.166 -0.357 1.00 0.00 C ATOM 1219 O ARG A 80 -8.126 5.006 0.033 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.179 5.837 -2.835 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.267 6.623 -4.133 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.082 5.722 -5.344 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.558 6.352 -6.572 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.879 5.675 -7.669 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.776 4.353 -7.690 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.304 6.320 -8.748 1.00 0.00 N ATOM 0 H ARG A 80 -8.394 8.307 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.963 6.039 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.132 5.746 -2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.552 4.827 -3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.235 7.121 -4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.506 7.403 -4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.027 5.471 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.618 4.786 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.649 7.368 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.450 3.854 -6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -9.023 3.836 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.384 7.337 -8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.550 5.799 -9.590 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.835 7.217 0.331 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.154 7.066 1.613 1.00 0.00 C ATOM 1242 C LEU A 81 -8.106 7.347 2.771 1.00 0.00 C ATOM 1243 O LEU A 81 -8.920 8.267 2.709 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.950 8.005 1.687 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.877 7.808 0.614 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.846 8.923 0.680 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.209 6.450 0.772 1.00 0.00 C ATOM 0 H LEU A 81 -7.944 8.183 0.023 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.808 6.036 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.311 9.032 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.483 7.888 2.665 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.357 7.843 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.091 8.766 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.337 9.883 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.370 8.921 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.449 6.327 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.742 6.386 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.957 5.663 0.673 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.995 6.549 3.829 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.850 6.730 4.987 1.00 0.00 C ATOM 1261 C GLY A 82 -8.133 6.431 6.289 1.00 0.00 C ATOM 1262 O GLY A 82 -6.986 5.983 6.287 1.00 0.00 O ATOM 0 H GLY A 82 -7.328 5.781 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.219 7.756 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.720 6.080 4.897 1.00 0.00 H new ATOM 1266 N THR A 83 -8.809 6.681 7.406 1.00 0.00 N ATOM 1267 CA THR A 83 -8.229 6.439 8.721 1.00 0.00 C ATOM 1268 C THR A 83 -8.114 4.946 9.005 1.00 0.00 C ATOM 1269 O THR A 83 -9.114 4.227 9.019 1.00 0.00 O ATOM 1270 CB THR A 83 -9.065 7.098 9.834 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.519 8.388 9.408 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.252 7.238 11.112 1.00 0.00 C ATOM 0 H THR A 83 -9.759 7.051 7.426 1.00 0.00 H new ATOM 0 HA THR A 83 -7.233 6.883 8.713 1.00 0.00 H new ATOM 0 HB THR A 83 -9.925 6.459 10.037 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.051 8.799 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.864 7.706 11.883 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.933 6.252 11.450 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.375 7.856 10.920 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.889 4.484 9.231 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.643 3.074 9.515 1.00 0.00 C ATOM 1282 C LEU A 84 -6.982 2.744 10.966 1.00 0.00 C ATOM 1283 O LEU A 84 -6.240 3.097 11.882 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.182 2.723 9.228 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.703 1.367 9.747 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.571 0.247 9.194 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.243 1.142 9.383 1.00 0.00 C ATOM 0 H LEU A 84 -6.051 5.065 9.223 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.287 2.480 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.027 2.752 8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.551 3.499 9.661 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.790 1.364 10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.215 -0.711 9.574 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.604 0.400 9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.516 0.248 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.919 0.172 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.130 1.166 8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.632 1.927 9.828 1.00 0.00 H new ATOM 1299 N SER A 85 -8.106 2.063 11.165 1.00 0.00 N ATOM 1300 CA SER A 85 -8.544 1.687 12.504 1.00 0.00 C ATOM 1301 C SER A 85 -7.403 1.043 13.288 1.00 0.00 C ATOM 1302 O SER A 85 -6.564 0.330 12.738 1.00 0.00 O ATOM 1303 CB SER A 85 -9.729 0.723 12.423 1.00 0.00 C ATOM 1304 OG SER A 85 -10.093 0.254 13.710 1.00 0.00 O ATOM 0 H SER A 85 -8.729 1.761 10.417 1.00 0.00 H new ATOM 0 HA SER A 85 -8.855 2.592 13.026 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.579 1.225 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.472 -0.122 11.784 1.00 0.00 H new ATOM 0 HG SER A 85 -10.854 -0.359 13.632 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.372 1.301 14.604 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.341 0.757 15.492 1.00 0.00 C ATOM 1312 C PRO A 86 -6.482 -0.748 15.691 1.00 0.00 C ATOM 1313 O PRO A 86 -5.542 -1.418 16.118 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.584 1.495 16.811 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.023 1.879 16.771 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.341 2.143 15.325 1.00 0.00 C ATOM 0 HA PRO A 86 -5.339 0.897 15.087 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.368 0.856 17.668 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.943 2.372 16.898 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.651 1.082 17.169 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.208 2.764 17.379 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.368 1.871 15.083 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.223 3.197 15.073 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.662 -1.274 15.377 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.925 -2.700 15.519 1.00 0.00 C ATOM 1326 C ALA A 87 -7.326 -3.487 14.358 1.00 0.00 C ATOM 1327 O ALA A 87 -6.903 -4.631 14.522 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.422 -2.954 15.616 1.00 0.00 C ATOM 0 H ALA A 87 -8.451 -0.733 15.023 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.450 -3.042 16.438 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.603 -4.024 15.722 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.824 -2.430 16.483 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.912 -2.590 14.713 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.295 -2.866 13.183 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.750 -3.509 11.993 1.00 0.00 C ATOM 1336 C PHE A 88 -5.340 -3.005 11.700 1.00 0.00 C ATOM 1337 O PHE A 88 -4.631 -3.564 10.863 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.657 -3.251 10.788 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.118 -3.419 11.090 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.585 -4.571 11.703 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.026 -2.424 10.762 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.929 -4.728 11.983 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.371 -2.576 11.041 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.824 -3.729 11.651 1.00 0.00 C ATOM 0 H PHE A 88 -7.641 -1.919 13.030 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.702 -4.582 12.180 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.484 -2.239 10.423 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.380 -3.932 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.890 -5.355 11.965 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.679 -1.520 10.283 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.280 -5.631 12.461 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.068 -1.793 10.782 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.875 -3.850 11.868 1.00 0.00 H new ATOM 1354 N SER A 89 -4.941 -1.945 12.395 1.00 0.00 N ATOM 1355 CA SER A 89 -3.617 -1.362 12.207 1.00 0.00 C ATOM 1356 C SER A 89 -2.531 -2.425 12.339 1.00 0.00 C ATOM 1357 O SER A 89 -2.600 -3.296 13.207 1.00 0.00 O ATOM 1358 CB SER A 89 -3.380 -0.245 13.225 1.00 0.00 C ATOM 1359 OG SER A 89 -4.185 0.885 12.939 1.00 0.00 O ATOM 0 H SER A 89 -5.515 -1.472 13.093 1.00 0.00 H new ATOM 0 HA SER A 89 -3.571 -0.944 11.201 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.603 -0.609 14.228 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.329 0.042 13.216 1.00 0.00 H new ATOM 0 HG SER A 89 -5.116 0.602 12.820 1.00 0.00 H new ATOM 1365 N THR A 90 -1.528 -2.348 11.470 1.00 0.00 N ATOM 1366 CA THR A 90 -0.427 -3.304 11.487 1.00 0.00 C ATOM 1367 C THR A 90 0.059 -3.556 12.909 1.00 0.00 C ATOM 1368 O THR A 90 0.676 -4.584 13.191 1.00 0.00 O ATOM 1369 CB THR A 90 0.756 -2.813 10.631 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.786 -3.807 10.604 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.315 -1.509 11.178 1.00 0.00 C ATOM 0 H THR A 90 -1.455 -1.634 10.746 1.00 0.00 H new ATOM 0 HA THR A 90 -0.809 -4.234 11.066 1.00 0.00 H new ATOM 0 HB THR A 90 0.395 -2.637 9.618 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.381 -4.699 10.641 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.149 -1.182 10.557 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.536 -0.747 11.169 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.661 -1.662 12.200 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.222 -2.613 13.802 1.00 0.00 N ATOM 1380 CA ARG A 91 0.188 -2.734 15.196 1.00 0.00 C ATOM 1381 C ARG A 91 -0.108 -4.132 15.730 1.00 0.00 C ATOM 1382 O ARG A 91 0.554 -4.609 16.653 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.526 -1.687 16.053 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.170 -0.255 15.687 1.00 0.00 C ATOM 1385 CD ARG A 91 -1.320 0.696 15.978 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.920 2.095 15.847 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.167 2.730 16.738 1.00 0.00 C ATOM 1388 NH1 ARG A 91 0.266 2.095 17.819 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.156 4.003 16.549 1.00 0.00 N ATOM 0 H ARG A 91 -0.732 -1.757 13.585 1.00 0.00 H new ATOM 0 HA ARG A 91 1.263 -2.564 15.248 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.603 -1.821 15.954 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.279 -1.857 17.101 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.712 0.056 16.247 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.089 -0.202 14.629 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -2.143 0.489 15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.691 0.518 16.987 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.236 2.612 15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.021 1.116 17.968 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.844 2.586 18.501 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.174 4.495 15.719 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.734 4.490 17.234 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.107 -4.785 15.145 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.491 -6.128 15.561 1.00 0.00 C ATOM 1405 C VAL A 92 -0.810 -7.186 14.701 1.00 0.00 C ATOM 1406 O VAL A 92 -0.395 -8.234 15.198 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.017 -6.325 15.485 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.416 -7.655 16.107 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.737 -5.171 16.167 1.00 0.00 C ATOM 0 H VAL A 92 -1.665 -4.405 14.381 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.168 -6.242 16.596 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.312 -6.339 14.436 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.497 -7.776 16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.928 -8.469 15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.109 -7.674 17.153 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.814 -5.326 16.104 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.438 -5.123 17.214 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.476 -4.236 15.672 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.696 -6.905 13.407 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.064 -7.833 12.476 1.00 0.00 C ATOM 1421 C LEU A 93 1.094 -7.163 11.742 1.00 0.00 C ATOM 1422 O LEU A 93 1.003 -6.016 11.304 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.090 -8.351 11.466 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.717 -9.639 10.732 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.683 -10.814 11.697 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.694 -9.908 9.597 1.00 0.00 C ATOM 0 H LEU A 93 -1.033 -6.042 12.979 1.00 0.00 H new ATOM 0 HA LEU A 93 0.329 -8.673 13.049 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.033 -8.514 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.266 -7.572 10.725 1.00 0.00 H new ATOM 0 HG LEU A 93 0.279 -9.516 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.416 -11.722 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.056 -10.624 12.475 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.665 -10.939 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.413 -10.829 9.086 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.701 -10.010 10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.668 -9.078 8.891 1.00 0.00 H new ATOM 1438 N PRO A 94 2.209 -7.895 11.603 1.00 0.00 N ATOM 1439 CA PRO A 94 3.405 -7.394 10.920 1.00 0.00 C ATOM 1440 C PRO A 94 3.196 -7.247 9.417 1.00 0.00 C ATOM 1441 O PRO A 94 2.538 -8.075 8.789 1.00 0.00 O ATOM 1442 CB PRO A 94 4.457 -8.467 11.212 1.00 0.00 C ATOM 1443 CG PRO A 94 3.672 -9.710 11.454 1.00 0.00 C ATOM 1444 CD PRO A 94 2.387 -9.270 12.101 1.00 0.00 C ATOM 0 HA PRO A 94 3.685 -6.399 11.266 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.142 -8.588 10.373 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.060 -8.204 12.081 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.478 -10.237 10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.219 -10.397 12.100 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.553 -9.912 11.816 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.454 -9.298 13.189 1.00 0.00 H new ATOM 1452 N ALA A 95 3.761 -6.188 8.846 1.00 0.00 N ATOM 1453 CA ALA A 95 3.639 -5.935 7.416 1.00 0.00 C ATOM 1454 C ALA A 95 4.233 -7.080 6.603 1.00 0.00 C ATOM 1455 O ALA A 95 5.431 -7.350 6.678 1.00 0.00 O ATOM 1456 CB ALA A 95 4.315 -4.621 7.053 1.00 0.00 C ATOM 0 H ALA A 95 4.308 -5.492 9.352 1.00 0.00 H new ATOM 0 HA ALA A 95 2.579 -5.864 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.216 -4.445 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.842 -3.805 7.600 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.371 -4.670 7.317 1.00 0.00 H new ATOM 1462 N GLN A 96 3.387 -7.750 5.827 1.00 0.00 N ATOM 1463 CA GLN A 96 3.830 -8.867 5.001 1.00 0.00 C ATOM 1464 C GLN A 96 4.528 -8.369 3.740 1.00 0.00 C ATOM 1465 O GLN A 96 5.023 -9.161 2.939 1.00 0.00 O ATOM 1466 CB GLN A 96 2.640 -9.752 4.624 1.00 0.00 C ATOM 1467 CG GLN A 96 1.864 -10.272 5.824 1.00 0.00 C ATOM 1468 CD GLN A 96 2.700 -11.169 6.715 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.226 -12.190 6.270 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.826 -10.793 7.982 1.00 0.00 N ATOM 0 H GLN A 96 2.392 -7.539 5.753 1.00 0.00 H new ATOM 0 HA GLN A 96 4.543 -9.454 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.965 -9.185 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.999 -10.599 4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.496 -9.428 6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.991 -10.824 5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.373 -9.939 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.376 -11.358 8.629 1.00 0.00 H new ATOM 1479 N ALA A 97 4.562 -7.051 3.571 1.00 0.00 N ATOM 1480 CA ALA A 97 5.201 -6.447 2.408 1.00 0.00 C ATOM 1481 C ALA A 97 6.654 -6.893 2.286 1.00 0.00 C ATOM 1482 O ALA A 97 7.299 -7.224 3.282 1.00 0.00 O ATOM 1483 CB ALA A 97 5.117 -4.930 2.488 1.00 0.00 C ATOM 0 H ALA A 97 4.155 -6.382 4.224 1.00 0.00 H new ATOM 0 HA ALA A 97 4.670 -6.783 1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.598 -4.492 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.071 -4.625 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.622 -4.585 3.390 1.00 0.00 H new ATOM 1489 N THR A 98 7.166 -6.900 1.059 1.00 0.00 N ATOM 1490 CA THR A 98 8.542 -7.307 0.807 1.00 0.00 C ATOM 1491 C THR A 98 9.480 -6.105 0.806 1.00 0.00 C ATOM 1492 O THR A 98 10.582 -6.167 1.349 1.00 0.00 O ATOM 1493 CB THR A 98 8.672 -8.047 -0.538 1.00 0.00 C ATOM 1494 OG1 THR A 98 8.235 -9.403 -0.396 1.00 0.00 O ATOM 1495 CG2 THR A 98 10.111 -8.022 -1.032 1.00 0.00 C ATOM 0 H THR A 98 6.647 -6.628 0.224 1.00 0.00 H new ATOM 0 HA THR A 98 8.824 -7.983 1.614 1.00 0.00 H new ATOM 0 HB THR A 98 8.044 -7.538 -1.269 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.319 -9.866 -1.256 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.178 -8.550 -1.983 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.431 -6.989 -1.167 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.755 -8.509 -0.300 1.00 0.00 H new ATOM 1503 N GLU A 99 9.033 -5.013 0.194 1.00 0.00 N ATOM 1504 CA GLU A 99 9.834 -3.797 0.123 1.00 0.00 C ATOM 1505 C GLU A 99 9.559 -2.893 1.322 1.00 0.00 C ATOM 1506 O GLU A 99 10.008 -1.748 1.366 1.00 0.00 O ATOM 1507 CB GLU A 99 9.542 -3.042 -1.176 1.00 0.00 C ATOM 1508 CG GLU A 99 9.903 -3.824 -2.428 1.00 0.00 C ATOM 1509 CD GLU A 99 11.320 -3.557 -2.895 1.00 0.00 C ATOM 1510 OE1 GLU A 99 12.192 -3.313 -2.034 1.00 0.00 O ATOM 1511 OE2 GLU A 99 11.558 -3.590 -4.120 1.00 0.00 O ATOM 0 H GLU A 99 8.122 -4.946 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 99 10.885 -4.084 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.482 -2.789 -1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.095 -2.102 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.784 -4.890 -2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.207 -3.566 -3.226 1.00 0.00 H new ATOM 1518 N TYR A 100 8.816 -3.417 2.291 1.00 0.00 N ATOM 1519 CA TYR A 100 8.478 -2.658 3.489 1.00 0.00 C ATOM 1520 C TYR A 100 9.727 -2.342 4.306 1.00 0.00 C ATOM 1521 O TYR A 100 9.916 -1.215 4.762 1.00 0.00 O ATOM 1522 CB TYR A 100 7.478 -3.436 4.346 1.00 0.00 C ATOM 1523 CG TYR A 100 7.308 -2.875 5.739 1.00 0.00 C ATOM 1524 CD1 TYR A 100 6.590 -1.705 5.956 1.00 0.00 C ATOM 1525 CD2 TYR A 100 7.866 -3.514 6.840 1.00 0.00 C ATOM 1526 CE1 TYR A 100 6.434 -1.188 7.227 1.00 0.00 C ATOM 1527 CE2 TYR A 100 7.713 -3.005 8.115 1.00 0.00 C ATOM 1528 CZ TYR A 100 6.996 -1.842 8.303 1.00 0.00 C ATOM 1529 OH TYR A 100 6.841 -1.331 9.572 1.00 0.00 O ATOM 0 H TYR A 100 8.437 -4.364 2.270 1.00 0.00 H new ATOM 0 HA TYR A 100 8.024 -1.718 3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.510 -3.441 3.845 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.805 -4.473 4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.146 -1.191 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.429 -4.424 6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.875 -0.276 7.377 1.00 0.00 H new ATOM 0 HE2 TYR A 100 8.152 -3.515 8.960 1.00 0.00 H new ATOM 0 HH TYR A 100 7.297 -1.912 10.216 1.00 0.00 H new ATOM 1539 N ALA A 101 10.578 -3.347 4.484 1.00 0.00 N ATOM 1540 CA ALA A 101 11.812 -3.178 5.243 1.00 0.00 C ATOM 1541 C ALA A 101 12.582 -1.949 4.772 1.00 0.00 C ATOM 1542 O ALA A 101 13.040 -1.143 5.582 1.00 0.00 O ATOM 1543 CB ALA A 101 12.678 -4.424 5.126 1.00 0.00 C ATOM 0 H ALA A 101 10.436 -4.287 4.113 1.00 0.00 H new ATOM 0 HA ALA A 101 11.549 -3.029 6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.596 -4.284 5.697 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.134 -5.283 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.925 -4.598 4.079 1.00 0.00 H new ATOM 1549 N PHE A 102 12.722 -1.813 3.457 1.00 0.00 N ATOM 1550 CA PHE A 102 13.439 -0.682 2.878 1.00 0.00 C ATOM 1551 C PHE A 102 12.521 0.529 2.738 1.00 0.00 C ATOM 1552 O PHE A 102 12.982 1.670 2.713 1.00 0.00 O ATOM 1553 CB PHE A 102 14.014 -1.062 1.512 1.00 0.00 C ATOM 1554 CG PHE A 102 15.121 -2.074 1.588 1.00 0.00 C ATOM 1555 CD1 PHE A 102 16.323 -1.761 2.204 1.00 0.00 C ATOM 1556 CD2 PHE A 102 14.961 -3.338 1.044 1.00 0.00 C ATOM 1557 CE1 PHE A 102 17.343 -2.690 2.276 1.00 0.00 C ATOM 1558 CE2 PHE A 102 15.978 -4.271 1.113 1.00 0.00 C ATOM 1559 CZ PHE A 102 17.171 -3.946 1.729 1.00 0.00 C ATOM 0 H PHE A 102 12.349 -2.471 2.773 1.00 0.00 H new ATOM 0 HA PHE A 102 14.257 -0.420 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.213 -1.457 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.387 -0.163 1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.464 -0.780 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.031 -3.597 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.274 -2.434 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.840 -5.253 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.968 -4.673 1.783 1.00 0.00 H new ATOM 1569 N ALA A 103 11.221 0.271 2.646 1.00 0.00 N ATOM 1570 CA ALA A 103 10.238 1.340 2.509 1.00 0.00 C ATOM 1571 C ALA A 103 10.393 2.373 3.620 1.00 0.00 C ATOM 1572 O ALA A 103 10.207 3.570 3.398 1.00 0.00 O ATOM 1573 CB ALA A 103 8.830 0.764 2.513 1.00 0.00 C ATOM 0 H ALA A 103 10.823 -0.668 2.664 1.00 0.00 H new ATOM 0 HA ALA A 103 10.411 1.841 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.106 1.572 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.719 0.069 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.655 0.237 3.451 1.00 0.00 H new ATOM 1579 N PHE A 104 10.734 1.903 4.815 1.00 0.00 N ATOM 1580 CA PHE A 104 10.912 2.787 5.961 1.00 0.00 C ATOM 1581 C PHE A 104 11.934 2.213 6.938 1.00 0.00 C ATOM 1582 O PHE A 104 12.169 1.005 6.966 1.00 0.00 O ATOM 1583 CB PHE A 104 9.576 3.007 6.675 1.00 0.00 C ATOM 1584 CG PHE A 104 8.593 3.810 5.872 1.00 0.00 C ATOM 1585 CD1 PHE A 104 7.753 3.191 4.961 1.00 0.00 C ATOM 1586 CD2 PHE A 104 8.509 5.184 6.029 1.00 0.00 C ATOM 1587 CE1 PHE A 104 6.848 3.928 4.221 1.00 0.00 C ATOM 1588 CE2 PHE A 104 7.605 5.927 5.292 1.00 0.00 C ATOM 1589 CZ PHE A 104 6.773 5.297 4.387 1.00 0.00 C ATOM 0 H PHE A 104 10.893 0.915 5.015 1.00 0.00 H new ATOM 0 HA PHE A 104 11.283 3.744 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 104 9.135 2.038 6.911 1.00 0.00 H new ATOM 0 HB3 PHE A 104 9.759 3.513 7.623 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.806 2.121 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 104 9.157 5.681 6.736 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.199 3.433 3.513 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.550 6.998 5.424 1.00 0.00 H new ATOM 0 HZ PHE A 104 6.065 5.874 3.810 1.00 0.00 H new TER 1599 PHE A 104