USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 GLN : amide:sc= -1.35 X(o=-2.7,f=-2.3) USER MOD Set 1.2: A 89 GLN : amide:sc= -1.37! C(o=-2.7!,f=-17!) USER MOD Set 2.1: A 80 MET CE :methyl -131:sc= -4.83! (180deg=-5.44!) USER MOD Set 2.2: A 84 GLN : amide:sc= -2.81! K(o=-7.6!,f=-4.5) USER MOD Set 3.1: A 55 GLN : amide:sc= -2.33 X(o=-2.3,f=-2.6!) USER MOD Set 3.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 26 GLN : amide:sc= -4.29! C(o=-4.5!,f=-7.8!) USER MOD Set 4.2: A 48 SER OG : rot 166:sc= -0.186! USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.035 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.393 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-2.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.0082) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.297 (180deg=-1.5!) USER MOD Single : A 23 ASN : amide:sc= -0.909 X(o=-0.91,f=-1.3) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.73! K(o=-3.7!,f=-1) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00115 USER MOD Single : A 44 MET CE :methyl 177:sc= -0.658 (180deg=-0.726) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= -0.118 (180deg=-0.496) USER MOD Single : A 52 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 53 THR OG1 : rot 45:sc= 0.0432 USER MOD Single : A 57 LYS NZ :NH3+ 149:sc= -0.512 (180deg=-1.4!) USER MOD Single : A 58 TYR OH : rot -38:sc= 0.306 USER MOD Single : A 63 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.16) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.0028) USER MOD Single : A 74 TYR OH : rot 180:sc= -2.29 USER MOD Single : A 79 LYS NZ :NH3+ -116:sc= 0.0491 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.628 K(o=-0.63,f=-2.6!) USER MOD Single : A 90 MET CE :methyl -139:sc= -0.159 (180deg=-1.73!) USER MOD Single : A 91 GLN : amide:sc= -0.722 K(o=-0.72,f=-2.1) USER MOD Single : A 93 HIS : no HD1:sc= 0.348 K(o=0.35,f=-1.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.301 -35.627 14.479 1.00 0.00 N ATOM 2 CA GLY A 1 14.886 -35.302 14.417 1.00 0.00 C ATOM 3 C GLY A 1 14.501 -34.790 13.028 1.00 0.00 C ATOM 4 O GLY A 1 15.086 -35.201 12.027 1.00 0.00 O ATOM 0 H1 GLY A 1 16.435 -36.490 15.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.664 -35.784 13.517 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.819 -34.840 14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.295 -36.186 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.650 -34.546 15.166 1.00 0.00 H new ATOM 8 N SER A 2 13.519 -33.900 13.011 1.00 0.00 N ATOM 9 CA SER A 2 13.049 -33.328 11.762 1.00 0.00 C ATOM 10 C SER A 2 12.354 -31.991 12.027 1.00 0.00 C ATOM 11 O SER A 2 12.012 -31.681 13.167 1.00 0.00 O ATOM 12 CB SER A 2 12.099 -34.286 11.040 1.00 0.00 C ATOM 13 OG SER A 2 12.647 -35.597 10.927 1.00 0.00 O ATOM 0 H SER A 2 13.036 -33.561 13.843 1.00 0.00 H new ATOM 0 HA SER A 2 13.912 -33.160 11.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.153 -34.334 11.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.879 -33.898 10.045 1.00 0.00 H new ATOM 0 HG SER A 2 12.010 -36.179 10.462 1.00 0.00 H new ATOM 19 N SER A 3 12.165 -31.235 10.955 1.00 0.00 N ATOM 20 CA SER A 3 11.517 -29.939 11.058 1.00 0.00 C ATOM 21 C SER A 3 10.607 -29.712 9.849 1.00 0.00 C ATOM 22 O SER A 3 10.799 -30.323 8.799 1.00 0.00 O ATOM 23 CB SER A 3 12.549 -28.814 11.164 1.00 0.00 C ATOM 24 OG SER A 3 12.119 -27.777 12.041 1.00 0.00 O ATOM 0 H SER A 3 12.450 -31.496 10.011 1.00 0.00 H new ATOM 0 HA SER A 3 10.914 -29.929 11.966 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.495 -29.222 11.521 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.735 -28.398 10.174 1.00 0.00 H new ATOM 0 HG SER A 3 12.805 -27.079 12.083 1.00 0.00 H new ATOM 30 N GLY A 4 9.635 -28.831 10.038 1.00 0.00 N ATOM 31 CA GLY A 4 8.695 -28.515 8.976 1.00 0.00 C ATOM 32 C GLY A 4 8.771 -27.035 8.598 1.00 0.00 C ATOM 33 O GLY A 4 8.851 -26.171 9.470 1.00 0.00 O ATOM 0 H GLY A 4 9.478 -28.326 10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.910 -29.129 8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.683 -28.760 9.297 1.00 0.00 H new ATOM 37 N SER A 5 8.745 -26.787 7.297 1.00 0.00 N ATOM 38 CA SER A 5 8.810 -25.426 6.792 1.00 0.00 C ATOM 39 C SER A 5 7.851 -25.259 5.612 1.00 0.00 C ATOM 40 O SER A 5 7.415 -26.243 5.017 1.00 0.00 O ATOM 41 CB SER A 5 10.236 -25.062 6.373 1.00 0.00 C ATOM 42 OG SER A 5 10.801 -24.062 7.217 1.00 0.00 O ATOM 0 H SER A 5 8.680 -27.506 6.577 1.00 0.00 H new ATOM 0 HA SER A 5 8.511 -24.749 7.593 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.861 -25.955 6.400 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.232 -24.707 5.343 1.00 0.00 H new ATOM 0 HG SER A 5 11.712 -23.858 6.918 1.00 0.00 H new ATOM 48 N SER A 6 7.550 -24.005 5.309 1.00 0.00 N ATOM 49 CA SER A 6 6.650 -23.696 4.211 1.00 0.00 C ATOM 50 C SER A 6 5.298 -24.376 4.435 1.00 0.00 C ATOM 51 O SER A 6 5.194 -25.599 4.355 1.00 0.00 O ATOM 52 CB SER A 6 7.248 -24.130 2.871 1.00 0.00 C ATOM 53 OG SER A 6 8.457 -23.436 2.576 1.00 0.00 O ATOM 0 H SER A 6 7.913 -23.191 5.805 1.00 0.00 H new ATOM 0 HA SER A 6 6.505 -22.616 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.441 -25.203 2.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.524 -23.951 2.076 1.00 0.00 H new ATOM 0 HG SER A 6 8.808 -23.742 1.714 1.00 0.00 H new ATOM 59 N GLY A 7 4.296 -23.554 4.709 1.00 0.00 N ATOM 60 CA GLY A 7 2.955 -24.062 4.945 1.00 0.00 C ATOM 61 C GLY A 7 2.213 -24.283 3.626 1.00 0.00 C ATOM 62 O GLY A 7 2.554 -23.680 2.609 1.00 0.00 O ATOM 0 H GLY A 7 4.386 -22.540 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.010 -25.000 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.400 -23.359 5.565 1.00 0.00 H new ATOM 66 N PRO A 8 1.185 -25.171 3.686 1.00 0.00 N ATOM 67 CA PRO A 8 0.392 -25.479 2.509 1.00 0.00 C ATOM 68 C PRO A 8 -0.571 -24.336 2.181 1.00 0.00 C ATOM 69 O PRO A 8 -0.568 -23.817 1.066 1.00 0.00 O ATOM 70 CB PRO A 8 -0.322 -26.779 2.844 1.00 0.00 C ATOM 71 CG PRO A 8 -0.268 -26.905 4.358 1.00 0.00 C ATOM 72 CD PRO A 8 0.753 -25.903 4.873 1.00 0.00 C ATOM 0 HA PRO A 8 1.000 -25.593 1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.353 -26.761 2.490 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.165 -27.627 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.248 -26.709 4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.012 -27.918 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.313 -25.234 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.592 -26.405 5.356 1.00 0.00 H new ATOM 80 N HIS A 9 -1.371 -23.976 3.174 1.00 0.00 N ATOM 81 CA HIS A 9 -2.337 -22.903 3.006 1.00 0.00 C ATOM 82 C HIS A 9 -2.615 -22.247 4.359 1.00 0.00 C ATOM 83 O HIS A 9 -3.256 -22.844 5.223 1.00 0.00 O ATOM 84 CB HIS A 9 -3.606 -23.417 2.323 1.00 0.00 C ATOM 85 CG HIS A 9 -3.347 -24.232 1.079 1.00 0.00 C ATOM 86 ND1 HIS A 9 -3.057 -23.658 -0.147 1.00 0.00 N ATOM 87 CD2 HIS A 9 -3.337 -25.582 0.883 1.00 0.00 C ATOM 88 CE1 HIS A 9 -2.882 -24.628 -1.032 1.00 0.00 C ATOM 89 NE2 HIS A 9 -3.057 -25.820 -0.392 1.00 0.00 N ATOM 0 H HIS A 9 -1.370 -24.408 4.098 1.00 0.00 H new ATOM 0 HA HIS A 9 -1.926 -22.137 2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.167 -24.025 3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.236 -22.567 2.063 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.525 -26.331 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -2.643 -24.498 -2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.985 -26.742 -0.822 1.00 0.00 H new ATOM 97 N SER A 10 -2.120 -21.026 4.502 1.00 0.00 N ATOM 98 CA SER A 10 -2.308 -20.282 5.735 1.00 0.00 C ATOM 99 C SER A 10 -3.227 -19.084 5.489 1.00 0.00 C ATOM 100 O SER A 10 -3.521 -18.748 4.343 1.00 0.00 O ATOM 101 CB SER A 10 -0.968 -19.814 6.306 1.00 0.00 C ATOM 102 OG SER A 10 -0.950 -19.855 7.730 1.00 0.00 O ATOM 0 H SER A 10 -1.589 -20.534 3.784 1.00 0.00 H new ATOM 0 HA SER A 10 -2.772 -20.944 6.466 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.168 -20.443 5.915 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.766 -18.797 5.970 1.00 0.00 H new ATOM 0 HG SER A 10 -0.077 -19.550 8.055 1.00 0.00 H new ATOM 108 N MET A 11 -3.656 -18.472 6.583 1.00 0.00 N ATOM 109 CA MET A 11 -4.536 -17.318 6.500 1.00 0.00 C ATOM 110 C MET A 11 -4.340 -16.392 7.702 1.00 0.00 C ATOM 111 O MET A 11 -4.127 -16.857 8.821 1.00 0.00 O ATOM 112 CB MET A 11 -5.991 -17.789 6.449 1.00 0.00 C ATOM 113 CG MET A 11 -6.686 -17.282 5.183 1.00 0.00 C ATOM 114 SD MET A 11 -7.615 -18.605 4.427 1.00 0.00 S ATOM 115 CE MET A 11 -7.809 -17.945 2.780 1.00 0.00 C ATOM 0 H MET A 11 -3.411 -18.753 7.532 1.00 0.00 H new ATOM 0 HA MET A 11 -4.293 -16.762 5.594 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.026 -18.878 6.476 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.524 -17.431 7.330 1.00 0.00 H new ATOM 0 HG2 MET A 11 -7.351 -16.454 5.430 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.946 -16.898 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.372 -18.651 2.169 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.346 -16.998 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.827 -17.783 2.335 1.00 0.00 H new ATOM 125 N GLU A 12 -4.420 -15.098 7.431 1.00 0.00 N ATOM 126 CA GLU A 12 -4.254 -14.102 8.476 1.00 0.00 C ATOM 127 C GLU A 12 -4.331 -12.693 7.884 1.00 0.00 C ATOM 128 O GLU A 12 -4.237 -12.520 6.670 1.00 0.00 O ATOM 129 CB GLU A 12 -2.938 -14.310 9.228 1.00 0.00 C ATOM 130 CG GLU A 12 -3.191 -14.846 10.638 1.00 0.00 C ATOM 131 CD GLU A 12 -2.174 -15.929 11.003 1.00 0.00 C ATOM 132 OE1 GLU A 12 -1.845 -16.727 10.099 1.00 0.00 O ATOM 133 OE2 GLU A 12 -1.749 -15.936 12.179 1.00 0.00 O ATOM 0 H GLU A 12 -4.598 -14.716 6.502 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.066 -14.218 9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.307 -15.008 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.395 -13.367 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.132 -14.029 11.357 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.200 -15.254 10.700 1.00 0.00 H new ATOM 140 N PRO A 13 -4.507 -11.697 8.793 1.00 0.00 N ATOM 141 CA PRO A 13 -4.597 -10.309 8.373 1.00 0.00 C ATOM 142 C PRO A 13 -3.222 -9.762 7.987 1.00 0.00 C ATOM 143 O PRO A 13 -3.078 -9.106 6.956 1.00 0.00 O ATOM 144 CB PRO A 13 -5.216 -9.580 9.555 1.00 0.00 C ATOM 145 CG PRO A 13 -5.020 -10.492 10.756 1.00 0.00 C ATOM 146 CD PRO A 13 -4.623 -11.865 10.238 1.00 0.00 C ATOM 0 HA PRO A 13 -5.206 -10.179 7.478 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.735 -8.615 9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.274 -9.384 9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.248 -10.095 11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.937 -10.555 11.341 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.681 -12.196 10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.372 -12.615 10.490 1.00 0.00 H new ATOM 154 N GLN A 14 -2.246 -10.051 8.835 1.00 0.00 N ATOM 155 CA GLN A 14 -0.887 -9.596 8.595 1.00 0.00 C ATOM 156 C GLN A 14 -0.564 -9.653 7.101 1.00 0.00 C ATOM 157 O GLN A 14 -0.266 -10.720 6.567 1.00 0.00 O ATOM 158 CB GLN A 14 0.117 -10.419 9.405 1.00 0.00 C ATOM 159 CG GLN A 14 -0.053 -10.170 10.905 1.00 0.00 C ATOM 160 CD GLN A 14 0.853 -11.095 11.721 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.651 -10.664 12.536 1.00 0.00 O ATOM 162 NE2 GLN A 14 0.686 -12.388 11.456 1.00 0.00 N ATOM 0 H GLN A 14 -2.369 -10.595 9.689 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.808 -8.560 8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.020 -11.479 9.191 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.132 -10.161 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.182 -9.131 11.134 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.093 -10.331 11.188 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.000 -12.682 10.761 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.244 -13.086 11.948 1.00 0.00 H new ATOM 171 N VAL A 15 -0.634 -8.491 6.468 1.00 0.00 N ATOM 172 CA VAL A 15 -0.353 -8.395 5.046 1.00 0.00 C ATOM 173 C VAL A 15 1.056 -7.832 4.846 1.00 0.00 C ATOM 174 O VAL A 15 1.517 -7.009 5.636 1.00 0.00 O ATOM 175 CB VAL A 15 -1.434 -7.562 4.354 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.939 -7.034 3.006 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.724 -8.368 4.188 1.00 0.00 C ATOM 0 H VAL A 15 -0.881 -7.608 6.914 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.377 -9.382 4.584 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.655 -6.704 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.726 -6.445 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.061 -6.408 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.677 -7.873 2.361 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.476 -7.753 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.525 -9.253 3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.091 -8.673 5.168 1.00 0.00 H new ATOM 187 N THR A 16 1.700 -8.297 3.786 1.00 0.00 N ATOM 188 CA THR A 16 3.046 -7.850 3.472 1.00 0.00 C ATOM 189 C THR A 16 3.013 -6.796 2.364 1.00 0.00 C ATOM 190 O THR A 16 2.806 -7.124 1.196 1.00 0.00 O ATOM 191 CB THR A 16 3.882 -9.081 3.115 1.00 0.00 C ATOM 192 OG1 THR A 16 3.788 -9.911 4.270 1.00 0.00 O ATOM 193 CG2 THR A 16 5.375 -8.763 3.005 1.00 0.00 C ATOM 0 H THR A 16 1.314 -8.979 3.133 1.00 0.00 H new ATOM 0 HA THR A 16 3.510 -7.361 4.329 1.00 0.00 H new ATOM 0 HB THR A 16 3.529 -9.498 2.172 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.301 -10.733 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.922 -9.670 2.750 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.531 -8.015 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.736 -8.377 3.958 1.00 0.00 H new ATOM 201 N LEU A 17 3.221 -5.552 2.768 1.00 0.00 N ATOM 202 CA LEU A 17 3.218 -4.448 1.824 1.00 0.00 C ATOM 203 C LEU A 17 4.630 -4.255 1.266 1.00 0.00 C ATOM 204 O LEU A 17 5.479 -3.644 1.914 1.00 0.00 O ATOM 205 CB LEU A 17 2.636 -3.190 2.472 1.00 0.00 C ATOM 206 CG LEU A 17 1.170 -3.275 2.904 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.743 -2.007 3.644 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.263 -3.576 1.710 1.00 0.00 C ATOM 0 H LEU A 17 3.393 -5.284 3.737 1.00 0.00 H new ATOM 0 HA LEU A 17 2.568 -4.673 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.238 -2.944 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.740 -2.362 1.770 1.00 0.00 H new ATOM 0 HG LEU A 17 1.067 -4.105 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.303 -2.093 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.362 -1.878 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.865 -1.145 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.773 -3.631 2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.363 -2.784 0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.552 -4.528 1.265 1.00 0.00 H new ATOM 220 N ASN A 18 4.837 -4.787 0.071 1.00 0.00 N ATOM 221 CA ASN A 18 6.132 -4.681 -0.581 1.00 0.00 C ATOM 222 C ASN A 18 6.185 -3.385 -1.393 1.00 0.00 C ATOM 223 O ASN A 18 5.592 -3.297 -2.467 1.00 0.00 O ATOM 224 CB ASN A 18 6.362 -5.850 -1.541 1.00 0.00 C ATOM 225 CG ASN A 18 6.289 -7.188 -0.803 1.00 0.00 C ATOM 226 OD1 ASN A 18 7.213 -7.602 -0.121 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.143 -7.840 -0.976 1.00 0.00 N ATOM 0 H ASN A 18 4.130 -5.293 -0.463 1.00 0.00 H new ATOM 0 HA ASN A 18 6.901 -4.692 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.614 -5.827 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.336 -5.747 -2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.997 -8.743 -0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.410 -7.437 -1.560 1.00 0.00 H new ATOM 234 N VAL A 19 6.899 -2.412 -0.848 1.00 0.00 N ATOM 235 CA VAL A 19 7.037 -1.125 -1.508 1.00 0.00 C ATOM 236 C VAL A 19 8.376 -1.076 -2.247 1.00 0.00 C ATOM 237 O VAL A 19 9.421 -1.366 -1.666 1.00 0.00 O ATOM 238 CB VAL A 19 6.875 0.006 -0.490 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.055 1.372 -1.155 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.523 -0.085 0.219 1.00 0.00 C ATOM 0 H VAL A 19 7.388 -2.489 0.044 1.00 0.00 H new ATOM 0 HA VAL A 19 6.250 -0.991 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 19 7.656 -0.105 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.935 2.158 -0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.052 1.435 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.307 1.497 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.433 0.730 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.721 -0.011 -0.516 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.450 -1.039 0.742 1.00 0.00 H new ATOM 250 N THR A 20 8.301 -0.708 -3.518 1.00 0.00 N ATOM 251 CA THR A 20 9.494 -0.618 -4.342 1.00 0.00 C ATOM 252 C THR A 20 9.701 0.818 -4.827 1.00 0.00 C ATOM 253 O THR A 20 9.087 1.241 -5.805 1.00 0.00 O ATOM 254 CB THR A 20 9.359 -1.631 -5.482 1.00 0.00 C ATOM 255 OG1 THR A 20 9.535 -2.894 -4.846 1.00 0.00 O ATOM 256 CG2 THR A 20 10.518 -1.550 -6.477 1.00 0.00 C ATOM 0 H THR A 20 7.433 -0.469 -3.997 1.00 0.00 H new ATOM 0 HA THR A 20 10.388 -0.867 -3.771 1.00 0.00 H new ATOM 0 HB THR A 20 8.418 -1.464 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.461 -3.609 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.373 -2.289 -7.265 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.551 -0.553 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.456 -1.750 -5.960 1.00 0.00 H new ATOM 264 N PHE A 21 10.567 1.528 -4.120 1.00 0.00 N ATOM 265 CA PHE A 21 10.862 2.909 -4.466 1.00 0.00 C ATOM 266 C PHE A 21 12.122 3.000 -5.329 1.00 0.00 C ATOM 267 O PHE A 21 13.153 2.419 -4.992 1.00 0.00 O ATOM 268 CB PHE A 21 11.101 3.657 -3.153 1.00 0.00 C ATOM 269 CG PHE A 21 11.455 5.135 -3.335 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.794 5.884 -4.258 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.431 5.699 -2.574 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.123 7.255 -4.427 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.760 7.070 -2.743 1.00 0.00 C ATOM 274 CZ PHE A 21 12.099 7.819 -3.666 1.00 0.00 C ATOM 0 H PHE A 21 11.074 1.174 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 21 10.035 3.336 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.206 3.582 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.907 3.165 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.019 5.436 -4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.956 5.104 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.598 7.850 -5.160 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.535 7.518 -2.139 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.349 8.862 -3.795 1.00 0.00 H new ATOM 284 N LYS A 22 11.999 3.735 -6.424 1.00 0.00 N ATOM 285 CA LYS A 22 13.115 3.911 -7.338 1.00 0.00 C ATOM 286 C LYS A 22 13.686 2.540 -7.707 1.00 0.00 C ATOM 287 O LYS A 22 13.231 1.910 -8.660 1.00 0.00 O ATOM 288 CB LYS A 22 14.149 4.868 -6.742 1.00 0.00 C ATOM 289 CG LYS A 22 13.508 6.205 -6.368 1.00 0.00 C ATOM 290 CD LYS A 22 12.845 6.855 -7.584 1.00 0.00 C ATOM 291 CE LYS A 22 11.324 6.702 -7.527 1.00 0.00 C ATOM 292 NZ LYS A 22 10.831 5.976 -8.719 1.00 0.00 N ATOM 0 H LYS A 22 11.143 4.216 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 22 12.780 4.377 -8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.600 4.417 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.952 5.034 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.766 6.050 -5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.266 6.875 -5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.106 7.912 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.226 6.399 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.040 6.163 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.856 7.685 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.904 6.355 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.504 6.097 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.738 4.965 -8.496 1.00 0.00 H new ATOM 306 N ASN A 23 14.676 2.119 -6.933 1.00 0.00 N ATOM 307 CA ASN A 23 15.314 0.834 -7.167 1.00 0.00 C ATOM 308 C ASN A 23 15.418 0.073 -5.844 1.00 0.00 C ATOM 309 O ASN A 23 16.059 -0.974 -5.775 1.00 0.00 O ATOM 310 CB ASN A 23 16.728 1.015 -7.721 1.00 0.00 C ATOM 311 CG ASN A 23 17.396 -0.338 -7.971 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.224 -0.802 -7.205 1.00 0.00 O ATOM 313 ND2 ASN A 23 16.992 -0.944 -9.084 1.00 0.00 N ATOM 0 H ASN A 23 15.052 2.645 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 23 14.711 0.284 -7.890 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.688 1.582 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.326 1.596 -7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 23 17.379 -1.852 -9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.295 -0.500 -9.682 1.00 0.00 H new ATOM 320 N GLU A 24 14.778 0.629 -4.826 1.00 0.00 N ATOM 321 CA GLU A 24 14.790 0.015 -3.509 1.00 0.00 C ATOM 322 C GLU A 24 13.547 -0.855 -3.317 1.00 0.00 C ATOM 323 O GLU A 24 12.564 -0.708 -4.041 1.00 0.00 O ATOM 324 CB GLU A 24 14.892 1.076 -2.411 1.00 0.00 C ATOM 325 CG GLU A 24 16.192 0.922 -1.618 1.00 0.00 C ATOM 326 CD GLU A 24 16.419 -0.537 -1.217 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.727 -0.981 -0.275 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.280 -1.175 -1.860 1.00 0.00 O ATOM 0 H GLU A 24 14.248 1.498 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 24 15.670 -0.623 -3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.849 2.070 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.039 0.991 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.032 1.273 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.154 1.547 -0.726 1.00 0.00 H new ATOM 335 N ILE A 25 13.631 -1.743 -2.337 1.00 0.00 N ATOM 336 CA ILE A 25 12.525 -2.638 -2.041 1.00 0.00 C ATOM 337 C ILE A 25 12.332 -2.718 -0.525 1.00 0.00 C ATOM 338 O ILE A 25 13.255 -3.079 0.203 1.00 0.00 O ATOM 339 CB ILE A 25 12.743 -3.998 -2.706 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.667 -3.882 -4.230 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.762 -5.038 -2.161 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.731 -4.753 -4.900 1.00 0.00 C ATOM 0 H ILE A 25 14.448 -1.862 -1.738 1.00 0.00 H new ATOM 0 HA ILE A 25 11.597 -2.250 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 25 13.747 -4.342 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.677 -4.183 -4.572 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.804 -2.842 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.938 -5.996 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.907 -5.147 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.740 -4.713 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.655 -4.652 -5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.721 -4.433 -4.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.576 -5.795 -4.621 1.00 0.00 H new ATOM 354 N GLN A 26 11.126 -2.376 -0.096 1.00 0.00 N ATOM 355 CA GLN A 26 10.801 -2.405 1.320 1.00 0.00 C ATOM 356 C GLN A 26 9.555 -3.261 1.561 1.00 0.00 C ATOM 357 O GLN A 26 8.809 -3.554 0.628 1.00 0.00 O ATOM 358 CB GLN A 26 10.607 -0.989 1.867 1.00 0.00 C ATOM 359 CG GLN A 26 11.801 -0.564 2.724 1.00 0.00 C ATOM 360 CD GLN A 26 11.339 0.002 4.068 1.00 0.00 C ATOM 361 OE1 GLN A 26 10.311 -0.374 4.608 1.00 0.00 O ATOM 362 NE2 GLN A 26 12.152 0.924 4.575 1.00 0.00 N ATOM 0 H GLN A 26 10.363 -2.078 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 26 11.637 -2.855 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.481 -0.290 1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.695 -0.947 2.462 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.455 -1.419 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.386 0.186 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.997 1.192 4.070 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.931 1.363 5.469 1.00 0.00 H new ATOM 371 N SER A 27 9.369 -3.638 2.817 1.00 0.00 N ATOM 372 CA SER A 27 8.227 -4.454 3.192 1.00 0.00 C ATOM 373 C SER A 27 7.668 -3.986 4.537 1.00 0.00 C ATOM 374 O SER A 27 8.426 -3.707 5.465 1.00 0.00 O ATOM 375 CB SER A 27 8.608 -5.934 3.262 1.00 0.00 C ATOM 376 OG SER A 27 7.772 -6.659 4.161 1.00 0.00 O ATOM 0 H SER A 27 9.990 -3.393 3.588 1.00 0.00 H new ATOM 0 HA SER A 27 7.459 -4.339 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.538 -6.374 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.647 -6.026 3.579 1.00 0.00 H new ATOM 0 HG SER A 27 8.046 -7.600 4.176 1.00 0.00 H new ATOM 382 N PHE A 28 6.347 -3.913 4.600 1.00 0.00 N ATOM 383 CA PHE A 28 5.677 -3.483 5.816 1.00 0.00 C ATOM 384 C PHE A 28 4.518 -4.419 6.163 1.00 0.00 C ATOM 385 O PHE A 28 3.571 -4.553 5.390 1.00 0.00 O ATOM 386 CB PHE A 28 5.124 -2.082 5.550 1.00 0.00 C ATOM 387 CG PHE A 28 6.169 -1.087 5.041 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.549 -1.109 3.735 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.717 -0.180 5.893 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.519 -0.185 3.262 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.686 0.744 5.421 1.00 0.00 C ATOM 392 CZ PHE A 28 8.067 0.721 4.115 1.00 0.00 C ATOM 0 H PHE A 28 5.722 -4.145 3.828 1.00 0.00 H new ATOM 0 HA PHE A 28 6.378 -3.492 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.319 -2.153 4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.686 -1.695 6.470 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.113 -1.829 3.058 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.415 -0.162 6.930 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.821 -0.202 2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.120 1.465 6.098 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.805 1.423 3.756 1.00 0.00 H new ATOM 402 N LEU A 29 4.631 -5.042 7.327 1.00 0.00 N ATOM 403 CA LEU A 29 3.603 -5.961 7.787 1.00 0.00 C ATOM 404 C LEU A 29 2.461 -5.166 8.423 1.00 0.00 C ATOM 405 O LEU A 29 2.701 -4.232 9.188 1.00 0.00 O ATOM 406 CB LEU A 29 4.207 -7.019 8.713 1.00 0.00 C ATOM 407 CG LEU A 29 3.343 -8.256 8.970 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.399 -9.220 7.784 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.739 -8.937 10.282 1.00 0.00 C ATOM 0 H LEU A 29 5.418 -4.929 7.965 1.00 0.00 H new ATOM 0 HA LEU A 29 3.179 -6.510 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.157 -7.345 8.289 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.430 -6.550 9.671 1.00 0.00 H new ATOM 0 HG LEU A 29 2.307 -7.934 9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.777 -10.090 7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.032 -8.718 6.889 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.428 -9.540 7.624 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.110 -9.813 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.784 -9.244 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.606 -8.239 11.109 1.00 0.00 H new ATOM 421 N VAL A 30 1.244 -5.565 8.084 1.00 0.00 N ATOM 422 CA VAL A 30 0.065 -4.901 8.613 1.00 0.00 C ATOM 423 C VAL A 30 -0.859 -5.943 9.248 1.00 0.00 C ATOM 424 O VAL A 30 -1.651 -6.580 8.556 1.00 0.00 O ATOM 425 CB VAL A 30 -0.618 -4.091 7.509 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.569 -3.049 8.103 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.416 -3.431 6.594 1.00 0.00 C ATOM 0 H VAL A 30 1.049 -6.340 7.450 1.00 0.00 H new ATOM 0 HA VAL A 30 0.343 -4.193 9.394 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.209 -4.779 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.042 -2.487 7.298 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.335 -3.551 8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.008 -2.366 8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.096 -2.862 5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.046 -2.761 7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.035 -4.199 6.131 1.00 0.00 H new ATOM 437 N SER A 31 -0.726 -6.083 10.559 1.00 0.00 N ATOM 438 CA SER A 31 -1.539 -7.036 11.295 1.00 0.00 C ATOM 439 C SER A 31 -2.998 -6.576 11.313 1.00 0.00 C ATOM 440 O SER A 31 -3.899 -7.366 11.592 1.00 0.00 O ATOM 441 CB SER A 31 -1.021 -7.214 12.724 1.00 0.00 C ATOM 442 OG SER A 31 -1.857 -8.076 13.492 1.00 0.00 O ATOM 0 H SER A 31 -0.068 -5.553 11.130 1.00 0.00 H new ATOM 0 HA SER A 31 -1.475 -8.000 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.010 -7.621 12.695 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.959 -6.241 13.211 1.00 0.00 H new ATOM 0 HG SER A 31 -1.492 -8.165 14.397 1.00 0.00 H new ATOM 448 N ASP A 32 -3.186 -5.299 11.012 1.00 0.00 N ATOM 449 CA ASP A 32 -4.520 -4.724 10.990 1.00 0.00 C ATOM 450 C ASP A 32 -4.668 -3.837 9.753 1.00 0.00 C ATOM 451 O ASP A 32 -4.728 -2.613 9.865 1.00 0.00 O ATOM 452 CB ASP A 32 -4.767 -3.857 12.226 1.00 0.00 C ATOM 453 CG ASP A 32 -3.768 -4.059 13.367 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.671 -3.466 13.273 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.123 -4.801 14.308 1.00 0.00 O ATOM 0 H ASP A 32 -2.437 -4.647 10.781 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.239 -5.543 10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.747 -2.809 11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.770 -4.062 12.601 1.00 0.00 H new ATOM 460 N PRO A 33 -4.723 -4.505 8.569 1.00 0.00 N ATOM 461 CA PRO A 33 -4.863 -3.790 7.312 1.00 0.00 C ATOM 462 C PRO A 33 -6.293 -3.277 7.129 1.00 0.00 C ATOM 463 O PRO A 33 -6.530 -2.353 6.352 1.00 0.00 O ATOM 464 CB PRO A 33 -4.449 -4.789 6.244 1.00 0.00 C ATOM 465 CG PRO A 33 -4.540 -6.159 6.896 1.00 0.00 C ATOM 466 CD PRO A 33 -4.655 -5.953 8.398 1.00 0.00 C ATOM 0 HA PRO A 33 -4.242 -2.896 7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.104 -4.726 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.436 -4.589 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.404 -6.705 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.658 -6.754 6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.544 -6.441 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.797 -6.374 8.922 1.00 0.00 H new ATOM 474 N GLU A 34 -7.208 -3.899 7.858 1.00 0.00 N ATOM 475 CA GLU A 34 -8.608 -3.516 7.785 1.00 0.00 C ATOM 476 C GLU A 34 -8.922 -2.449 8.835 1.00 0.00 C ATOM 477 O GLU A 34 -9.919 -1.737 8.724 1.00 0.00 O ATOM 478 CB GLU A 34 -9.519 -4.734 7.953 1.00 0.00 C ATOM 479 CG GLU A 34 -9.618 -5.528 6.649 1.00 0.00 C ATOM 480 CD GLU A 34 -11.053 -6.000 6.402 1.00 0.00 C ATOM 481 OE1 GLU A 34 -11.967 -5.180 6.632 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.202 -7.171 5.990 1.00 0.00 O ATOM 0 H GLU A 34 -7.008 -4.665 8.501 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.798 -3.094 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.132 -5.375 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.513 -4.410 8.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.287 -4.908 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.950 -6.389 6.691 1.00 0.00 H new ATOM 489 N ASN A 35 -8.052 -2.370 9.831 1.00 0.00 N ATOM 490 CA ASN A 35 -8.224 -1.402 10.901 1.00 0.00 C ATOM 491 C ASN A 35 -7.483 -0.113 10.539 1.00 0.00 C ATOM 492 O ASN A 35 -8.090 0.954 10.454 1.00 0.00 O ATOM 493 CB ASN A 35 -7.646 -1.926 12.217 1.00 0.00 C ATOM 494 CG ASN A 35 -7.452 -0.788 13.222 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.271 -0.550 14.095 1.00 0.00 O ATOM 496 ND2 ASN A 35 -6.326 -0.101 13.051 1.00 0.00 N ATOM 0 H ASN A 35 -7.225 -2.961 9.920 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.292 -1.221 11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.314 -2.678 12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.691 -2.417 12.029 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.105 0.678 13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.684 -0.353 12.300 1.00 0.00 H new ATOM 503 N THR A 36 -6.181 -0.253 10.336 1.00 0.00 N ATOM 504 CA THR A 36 -5.351 0.887 9.985 1.00 0.00 C ATOM 505 C THR A 36 -5.958 1.644 8.802 1.00 0.00 C ATOM 506 O THR A 36 -6.796 1.107 8.080 1.00 0.00 O ATOM 507 CB THR A 36 -3.934 0.375 9.717 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.107 1.514 9.936 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.707 0.027 8.244 1.00 0.00 C ATOM 0 H THR A 36 -5.680 -1.139 10.408 1.00 0.00 H new ATOM 0 HA THR A 36 -5.303 1.608 10.801 1.00 0.00 H new ATOM 0 HB THR A 36 -3.743 -0.505 10.332 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.170 1.271 9.786 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.687 -0.331 8.108 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.408 -0.751 7.942 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.865 0.915 7.632 1.00 0.00 H new ATOM 517 N THR A 37 -5.511 2.881 8.641 1.00 0.00 N ATOM 518 CA THR A 37 -5.999 3.718 7.559 1.00 0.00 C ATOM 519 C THR A 37 -4.924 3.879 6.482 1.00 0.00 C ATOM 520 O THR A 37 -3.732 3.786 6.771 1.00 0.00 O ATOM 521 CB THR A 37 -6.460 5.048 8.160 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.303 5.548 8.824 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.482 4.859 9.283 1.00 0.00 C ATOM 0 H THR A 37 -4.816 3.323 9.242 1.00 0.00 H new ATOM 0 HA THR A 37 -6.851 3.258 7.058 1.00 0.00 H new ATOM 0 HB THR A 37 -6.892 5.671 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.512 6.410 9.241 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.776 5.833 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.360 4.344 8.893 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.039 4.265 10.082 1.00 0.00 H new ATOM 531 N TRP A 38 -5.384 4.117 5.263 1.00 0.00 N ATOM 532 CA TRP A 38 -4.476 4.292 4.141 1.00 0.00 C ATOM 533 C TRP A 38 -3.552 5.469 4.460 1.00 0.00 C ATOM 534 O TRP A 38 -2.362 5.429 4.151 1.00 0.00 O ATOM 535 CB TRP A 38 -5.249 4.475 2.834 1.00 0.00 C ATOM 536 CG TRP A 38 -4.386 4.946 1.662 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.571 6.019 0.880 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.188 4.312 1.167 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.583 6.123 -0.078 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.716 5.052 0.102 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.525 3.152 1.605 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.561 4.714 -0.615 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.373 2.828 0.878 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.884 3.562 -0.196 1.00 0.00 C ATOM 0 H TRP A 38 -6.373 4.193 5.027 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.866 3.401 3.995 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.721 3.529 2.567 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.050 5.197 2.995 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.390 6.715 0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.504 6.852 -0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.876 2.558 2.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.212 5.309 -1.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.826 1.945 1.173 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.014 3.245 -0.705 1.00 0.00 H new ATOM 555 N ALA A 39 -4.135 6.488 5.073 1.00 0.00 N ATOM 556 CA ALA A 39 -3.379 7.675 5.436 1.00 0.00 C ATOM 557 C ALA A 39 -2.176 7.266 6.290 1.00 0.00 C ATOM 558 O ALA A 39 -1.090 7.824 6.146 1.00 0.00 O ATOM 559 CB ALA A 39 -4.296 8.664 6.158 1.00 0.00 C ATOM 0 H ALA A 39 -5.122 6.517 5.328 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.998 8.174 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.729 9.554 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.118 8.945 5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.695 8.199 7.059 1.00 0.00 H new ATOM 565 N ASP A 40 -2.411 6.295 7.160 1.00 0.00 N ATOM 566 CA ASP A 40 -1.361 5.805 8.036 1.00 0.00 C ATOM 567 C ASP A 40 -0.283 5.115 7.197 1.00 0.00 C ATOM 568 O ASP A 40 0.909 5.280 7.454 1.00 0.00 O ATOM 569 CB ASP A 40 -1.908 4.783 9.034 1.00 0.00 C ATOM 570 CG ASP A 40 -2.077 5.301 10.464 1.00 0.00 C ATOM 571 OD1 ASP A 40 -3.177 5.821 10.753 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.103 5.166 11.235 1.00 0.00 O ATOM 0 H ASP A 40 -3.314 5.834 7.277 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.951 6.656 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.875 4.429 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.240 3.922 9.052 1.00 0.00 H new ATOM 577 N ILE A 41 -0.740 4.358 6.211 1.00 0.00 N ATOM 578 CA ILE A 41 0.171 3.643 5.332 1.00 0.00 C ATOM 579 C ILE A 41 0.966 4.651 4.500 1.00 0.00 C ATOM 580 O ILE A 41 2.187 4.733 4.618 1.00 0.00 O ATOM 581 CB ILE A 41 -0.591 2.616 4.492 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.445 1.707 5.378 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.365 1.818 3.604 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.577 0.678 6.105 1.00 0.00 C ATOM 0 H ILE A 41 -1.729 4.224 6.001 1.00 0.00 H new ATOM 0 HA ILE A 41 0.893 3.071 5.915 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.272 3.152 3.832 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.988 2.309 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.190 1.195 4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.202 1.095 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.891 2.497 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.088 1.292 4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.208 0.045 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.054 0.062 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.150 1.194 6.732 1.00 0.00 H new ATOM 596 N GLU A 42 0.240 5.393 3.676 1.00 0.00 N ATOM 597 CA GLU A 42 0.863 6.392 2.824 1.00 0.00 C ATOM 598 C GLU A 42 1.988 7.105 3.578 1.00 0.00 C ATOM 599 O GLU A 42 3.088 7.266 3.051 1.00 0.00 O ATOM 600 CB GLU A 42 -0.172 7.394 2.307 1.00 0.00 C ATOM 601 CG GLU A 42 0.336 8.109 1.054 1.00 0.00 C ATOM 602 CD GLU A 42 -0.773 8.235 0.008 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.772 8.919 0.319 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.597 7.646 -1.080 1.00 0.00 O ATOM 0 H GLU A 42 -0.773 5.322 3.580 1.00 0.00 H new ATOM 0 HA GLU A 42 1.294 5.887 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.104 6.876 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.394 8.126 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.704 9.100 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.177 7.559 0.633 1.00 0.00 H new ATOM 611 N ALA A 43 1.673 7.515 4.798 1.00 0.00 N ATOM 612 CA ALA A 43 2.643 8.207 5.629 1.00 0.00 C ATOM 613 C ALA A 43 3.753 7.233 6.029 1.00 0.00 C ATOM 614 O ALA A 43 4.933 7.509 5.818 1.00 0.00 O ATOM 615 CB ALA A 43 1.936 8.815 6.841 1.00 0.00 C ATOM 0 H ALA A 43 0.759 7.381 5.231 1.00 0.00 H new ATOM 0 HA ALA A 43 3.106 9.025 5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.664 9.334 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.178 9.522 6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.461 8.023 7.420 1.00 0.00 H new ATOM 621 N MET A 44 3.335 6.112 6.600 1.00 0.00 N ATOM 622 CA MET A 44 4.279 5.096 7.032 1.00 0.00 C ATOM 623 C MET A 44 5.380 4.891 5.990 1.00 0.00 C ATOM 624 O MET A 44 6.564 4.905 6.321 1.00 0.00 O ATOM 625 CB MET A 44 3.539 3.776 7.259 1.00 0.00 C ATOM 626 CG MET A 44 4.409 2.787 8.039 1.00 0.00 C ATOM 627 SD MET A 44 3.400 1.461 8.680 1.00 0.00 S ATOM 628 CE MET A 44 2.873 0.706 7.152 1.00 0.00 C ATOM 0 H MET A 44 2.356 5.886 6.773 1.00 0.00 H new ATOM 0 HA MET A 44 4.742 5.429 7.961 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.615 3.962 7.806 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.260 3.342 6.299 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.186 2.383 7.390 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.913 3.300 8.858 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.273 -0.177 7.371 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.276 1.418 6.581 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.747 0.416 6.569 1.00 0.00 H new ATOM 638 N VAL A 45 4.950 4.706 4.750 1.00 0.00 N ATOM 639 CA VAL A 45 5.884 4.499 3.657 1.00 0.00 C ATOM 640 C VAL A 45 6.703 5.774 3.443 1.00 0.00 C ATOM 641 O VAL A 45 7.914 5.712 3.236 1.00 0.00 O ATOM 642 CB VAL A 45 5.131 4.054 2.402 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.065 4.006 1.190 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.448 2.703 2.622 1.00 0.00 C ATOM 0 H VAL A 45 3.967 4.695 4.479 1.00 0.00 H new ATOM 0 HA VAL A 45 6.584 3.700 3.899 1.00 0.00 H new ATOM 0 HB VAL A 45 4.355 4.792 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.505 3.687 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.483 4.997 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.873 3.300 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.920 2.410 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.199 1.951 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.738 2.784 3.445 1.00 0.00 H new ATOM 654 N LYS A 46 6.008 6.901 3.499 1.00 0.00 N ATOM 655 CA LYS A 46 6.655 8.189 3.314 1.00 0.00 C ATOM 656 C LYS A 46 7.847 8.298 4.267 1.00 0.00 C ATOM 657 O LYS A 46 8.993 8.379 3.827 1.00 0.00 O ATOM 658 CB LYS A 46 5.642 9.325 3.466 1.00 0.00 C ATOM 659 CG LYS A 46 5.270 9.913 2.103 1.00 0.00 C ATOM 660 CD LYS A 46 3.762 10.154 2.002 1.00 0.00 C ATOM 661 CE LYS A 46 3.257 10.970 3.194 1.00 0.00 C ATOM 662 NZ LYS A 46 1.833 10.669 3.462 1.00 0.00 N ATOM 0 H LYS A 46 5.004 6.949 3.670 1.00 0.00 H new ATOM 0 HA LYS A 46 7.047 8.275 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.746 8.954 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.059 10.106 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.803 10.852 1.950 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.587 9.234 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.535 10.680 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.239 9.198 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.855 10.744 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.378 12.034 2.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.647 10.752 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.233 11.342 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.618 9.701 3.149 1.00 0.00 H new ATOM 676 N VAL A 47 7.537 8.295 5.555 1.00 0.00 N ATOM 677 CA VAL A 47 8.568 8.392 6.574 1.00 0.00 C ATOM 678 C VAL A 47 9.619 7.306 6.335 1.00 0.00 C ATOM 679 O VAL A 47 10.811 7.536 6.534 1.00 0.00 O ATOM 680 CB VAL A 47 7.937 8.318 7.966 1.00 0.00 C ATOM 681 CG1 VAL A 47 7.087 9.558 8.249 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.113 7.039 8.127 1.00 0.00 C ATOM 0 H VAL A 47 6.586 8.227 5.916 1.00 0.00 H new ATOM 0 HA VAL A 47 9.076 9.355 6.513 1.00 0.00 H new ATOM 0 HB VAL A 47 8.743 8.291 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.650 9.480 9.245 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.714 10.448 8.196 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.291 9.630 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.676 7.011 9.125 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.318 7.022 7.382 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.758 6.171 7.989 1.00 0.00 H new ATOM 692 N SER A 48 9.139 6.146 5.912 1.00 0.00 N ATOM 693 CA SER A 48 10.022 5.023 5.644 1.00 0.00 C ATOM 694 C SER A 48 11.190 5.475 4.766 1.00 0.00 C ATOM 695 O SER A 48 12.335 5.094 5.006 1.00 0.00 O ATOM 696 CB SER A 48 9.266 3.876 4.972 1.00 0.00 C ATOM 697 OG SER A 48 9.825 2.606 5.295 1.00 0.00 O ATOM 0 H SER A 48 8.150 5.959 5.748 1.00 0.00 H new ATOM 0 HA SER A 48 10.410 4.658 6.595 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.221 3.901 5.280 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.283 4.015 3.891 1.00 0.00 H new ATOM 0 HG SER A 48 9.197 1.898 5.041 1.00 0.00 H new ATOM 703 N PHE A 49 10.861 6.281 3.766 1.00 0.00 N ATOM 704 CA PHE A 49 11.870 6.788 2.851 1.00 0.00 C ATOM 705 C PHE A 49 12.113 8.282 3.077 1.00 0.00 C ATOM 706 O PHE A 49 12.906 8.899 2.368 1.00 0.00 O ATOM 707 CB PHE A 49 11.333 6.579 1.434 1.00 0.00 C ATOM 708 CG PHE A 49 11.224 5.111 1.019 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.297 4.477 0.473 1.00 0.00 C ATOM 710 CD2 PHE A 49 10.056 4.438 1.197 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.196 3.114 0.088 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.955 3.075 0.813 1.00 0.00 C ATOM 713 CZ PHE A 49 11.028 2.442 0.266 1.00 0.00 C ATOM 0 H PHE A 49 9.911 6.595 3.570 1.00 0.00 H new ATOM 0 HA PHE A 49 12.813 6.266 3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.349 7.041 1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.984 7.097 0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.225 5.010 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.204 4.941 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.047 2.611 -0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.027 2.541 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.952 1.405 -0.027 1.00 0.00 H new ATOM 723 N ASP A 50 11.416 8.819 4.068 1.00 0.00 N ATOM 724 CA ASP A 50 11.547 10.228 4.396 1.00 0.00 C ATOM 725 C ASP A 50 11.104 11.070 3.197 1.00 0.00 C ATOM 726 O ASP A 50 11.835 11.953 2.751 1.00 0.00 O ATOM 727 CB ASP A 50 12.999 10.587 4.715 1.00 0.00 C ATOM 728 CG ASP A 50 13.182 11.842 5.572 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.175 12.561 5.747 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.325 12.052 6.033 1.00 0.00 O ATOM 0 H ASP A 50 10.759 8.304 4.654 1.00 0.00 H new ATOM 0 HA ASP A 50 10.926 10.430 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.461 9.744 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.538 10.724 3.778 1.00 0.00 H new ATOM 735 N LEU A 51 9.910 10.766 2.710 1.00 0.00 N ATOM 736 CA LEU A 51 9.362 11.483 1.572 1.00 0.00 C ATOM 737 C LEU A 51 8.202 12.364 2.040 1.00 0.00 C ATOM 738 O LEU A 51 7.435 11.972 2.918 1.00 0.00 O ATOM 739 CB LEU A 51 8.981 10.507 0.456 1.00 0.00 C ATOM 740 CG LEU A 51 10.066 9.515 0.034 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.461 8.329 -0.720 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.161 10.212 -0.777 1.00 0.00 C ATOM 0 H LEU A 51 9.307 10.033 3.083 1.00 0.00 H new ATOM 0 HA LEU A 51 10.113 12.146 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.106 9.943 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.684 11.085 -0.419 1.00 0.00 H new ATOM 0 HG LEU A 51 10.535 9.119 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.254 7.639 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.748 7.814 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.950 8.688 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.920 9.484 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.725 10.654 -1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.619 10.995 -0.172 1.00 0.00 H new ATOM 754 N ASN A 52 8.111 13.539 1.434 1.00 0.00 N ATOM 755 CA ASN A 52 7.058 14.479 1.778 1.00 0.00 C ATOM 756 C ASN A 52 5.727 13.977 1.214 1.00 0.00 C ATOM 757 O ASN A 52 4.790 13.713 1.965 1.00 0.00 O ATOM 758 CB ASN A 52 7.334 15.859 1.180 1.00 0.00 C ATOM 759 CG ASN A 52 7.391 16.929 2.272 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.275 16.950 3.112 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.400 17.814 2.214 1.00 0.00 N ATOM 0 H ASN A 52 8.750 13.861 0.707 1.00 0.00 H new ATOM 0 HA ASN A 52 7.019 14.558 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.277 15.841 0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.555 16.110 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.349 18.568 2.899 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.691 17.739 1.484 1.00 0.00 H new ATOM 768 N THR A 53 5.687 13.860 -0.105 1.00 0.00 N ATOM 769 CA THR A 53 4.487 13.394 -0.779 1.00 0.00 C ATOM 770 C THR A 53 4.834 12.299 -1.790 1.00 0.00 C ATOM 771 O THR A 53 5.741 12.465 -2.604 1.00 0.00 O ATOM 772 CB THR A 53 3.798 14.606 -1.409 1.00 0.00 C ATOM 773 OG1 THR A 53 4.856 15.312 -2.052 1.00 0.00 O ATOM 774 CG2 THR A 53 3.274 15.591 -0.363 1.00 0.00 C ATOM 0 H THR A 53 6.466 14.080 -0.725 1.00 0.00 H new ATOM 0 HA THR A 53 3.792 12.935 -0.076 1.00 0.00 H new ATOM 0 HB THR A 53 2.972 14.269 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.418 14.680 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.794 16.432 -0.863 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.549 15.089 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.104 15.955 0.243 1.00 0.00 H new ATOM 782 N ILE A 54 4.094 11.203 -1.704 1.00 0.00 N ATOM 783 CA ILE A 54 4.312 10.081 -2.601 1.00 0.00 C ATOM 784 C ILE A 54 2.968 9.614 -3.164 1.00 0.00 C ATOM 785 O ILE A 54 1.915 10.081 -2.732 1.00 0.00 O ATOM 786 CB ILE A 54 5.100 8.976 -1.895 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.276 8.348 -0.770 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.449 9.498 -1.395 1.00 0.00 C ATOM 789 CD1 ILE A 54 5.092 7.299 -0.011 1.00 0.00 C ATOM 0 H ILE A 54 3.343 11.068 -1.027 1.00 0.00 H new ATOM 0 HA ILE A 54 4.925 10.386 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 54 5.308 8.189 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.944 9.124 -0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.380 7.886 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.989 8.693 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.035 9.860 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.285 10.314 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.482 6.868 0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.401 6.512 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.974 7.769 0.423 1.00 0.00 H new ATOM 801 N GLN A 55 3.048 8.699 -4.118 1.00 0.00 N ATOM 802 CA GLN A 55 1.850 8.164 -4.744 1.00 0.00 C ATOM 803 C GLN A 55 1.986 6.653 -4.944 1.00 0.00 C ATOM 804 O GLN A 55 2.013 6.174 -6.077 1.00 0.00 O ATOM 805 CB GLN A 55 1.563 8.870 -6.071 1.00 0.00 C ATOM 806 CG GLN A 55 0.070 8.831 -6.401 1.00 0.00 C ATOM 807 CD GLN A 55 -0.720 9.760 -5.477 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.528 10.965 -5.454 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.617 9.135 -4.720 1.00 0.00 N ATOM 0 H GLN A 55 3.923 8.314 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 55 1.004 8.348 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.900 9.905 -6.017 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.129 8.392 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.085 9.127 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.302 7.811 -6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.726 8.123 -4.789 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.196 9.667 -4.070 1.00 0.00 H new ATOM 818 N ILE A 56 2.067 5.945 -3.827 1.00 0.00 N ATOM 819 CA ILE A 56 2.198 4.499 -3.866 1.00 0.00 C ATOM 820 C ILE A 56 1.317 3.941 -4.985 1.00 0.00 C ATOM 821 O ILE A 56 0.340 4.572 -5.385 1.00 0.00 O ATOM 822 CB ILE A 56 1.901 3.897 -2.491 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.914 4.379 -1.451 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.837 2.370 -2.564 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.250 4.567 -0.085 1.00 0.00 C ATOM 0 H ILE A 56 2.044 6.346 -2.889 1.00 0.00 H new ATOM 0 HA ILE A 56 3.225 4.216 -4.097 1.00 0.00 H new ATOM 0 HB ILE A 56 0.920 4.246 -2.170 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.727 3.657 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.356 5.321 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.625 1.967 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.048 2.071 -3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.793 1.982 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.992 4.910 0.636 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.454 5.307 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.831 3.618 0.249 1.00 0.00 H new ATOM 837 N LYS A 57 1.694 2.762 -5.460 1.00 0.00 N ATOM 838 CA LYS A 57 0.951 2.112 -6.525 1.00 0.00 C ATOM 839 C LYS A 57 1.143 0.597 -6.425 1.00 0.00 C ATOM 840 O LYS A 57 2.271 0.107 -6.470 1.00 0.00 O ATOM 841 CB LYS A 57 1.344 2.693 -7.885 1.00 0.00 C ATOM 842 CG LYS A 57 0.690 4.058 -8.107 1.00 0.00 C ATOM 843 CD LYS A 57 0.304 4.248 -9.576 1.00 0.00 C ATOM 844 CE LYS A 57 0.085 5.728 -9.898 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.130 5.905 -10.725 1.00 0.00 N ATOM 0 H LYS A 57 2.505 2.241 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.116 2.306 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.428 2.791 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.043 2.008 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.197 4.147 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.376 4.848 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.088 3.845 -10.217 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.605 3.687 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.011 6.297 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.952 6.123 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.563 6.827 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.873 5.866 -11.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.809 5.147 -10.511 1.00 0.00 H new ATOM 859 N TYR A 58 0.026 -0.102 -6.291 1.00 0.00 N ATOM 860 CA TYR A 58 0.057 -1.550 -6.183 1.00 0.00 C ATOM 861 C TYR A 58 -0.522 -2.206 -7.439 1.00 0.00 C ATOM 862 O TYR A 58 -1.494 -1.714 -8.008 1.00 0.00 O ATOM 863 CB TYR A 58 -0.825 -1.904 -4.985 1.00 0.00 C ATOM 864 CG TYR A 58 -2.318 -1.980 -5.312 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.819 -3.067 -5.999 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.163 -0.961 -4.920 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.224 -3.139 -6.307 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.568 -1.033 -5.228 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.029 -2.118 -5.907 1.00 0.00 C ATOM 870 OH TYR A 58 -6.356 -2.186 -6.198 1.00 0.00 O ATOM 0 H TYR A 58 -0.907 0.308 -6.255 1.00 0.00 H new ATOM 0 HA TYR A 58 1.081 -1.904 -6.066 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.503 -2.864 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.672 -1.161 -4.202 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.157 -3.864 -6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.771 -0.110 -4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.629 -3.984 -6.843 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.240 -0.243 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.476 -2.575 -7.089 1.00 0.00 H new ATOM 880 N LEU A 59 0.101 -3.307 -7.834 1.00 0.00 N ATOM 881 CA LEU A 59 -0.340 -4.035 -9.011 1.00 0.00 C ATOM 882 C LEU A 59 -1.590 -4.846 -8.665 1.00 0.00 C ATOM 883 O LEU A 59 -1.585 -5.624 -7.712 1.00 0.00 O ATOM 884 CB LEU A 59 0.804 -4.878 -9.579 1.00 0.00 C ATOM 885 CG LEU A 59 1.765 -4.155 -10.525 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.706 -5.146 -11.213 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.999 -3.296 -11.533 1.00 0.00 C ATOM 0 H LEU A 59 0.908 -3.712 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.619 -3.343 -9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.380 -5.281 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.374 -5.728 -10.110 1.00 0.00 H new ATOM 0 HG LEU A 59 2.385 -3.481 -9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.378 -4.606 -11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.290 -5.676 -10.460 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.121 -5.863 -11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.705 -2.793 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.338 -3.930 -12.124 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.407 -2.552 -11.001 1.00 0.00 H new ATOM 899 N ASP A 60 -2.630 -4.637 -9.458 1.00 0.00 N ATOM 900 CA ASP A 60 -3.885 -5.340 -9.247 1.00 0.00 C ATOM 901 C ASP A 60 -3.784 -6.745 -9.844 1.00 0.00 C ATOM 902 O ASP A 60 -2.687 -7.282 -9.995 1.00 0.00 O ATOM 903 CB ASP A 60 -5.044 -4.616 -9.935 1.00 0.00 C ATOM 904 CG ASP A 60 -6.302 -4.452 -9.080 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.875 -5.498 -8.707 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.663 -3.283 -8.819 1.00 0.00 O ATOM 0 H ASP A 60 -2.630 -3.991 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.072 -5.382 -8.174 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.703 -3.629 -10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.307 -5.162 -10.841 1.00 0.00 H new ATOM 911 N GLU A 61 -4.942 -7.300 -10.168 1.00 0.00 N ATOM 912 CA GLU A 61 -4.998 -8.632 -10.746 1.00 0.00 C ATOM 913 C GLU A 61 -4.818 -8.561 -12.263 1.00 0.00 C ATOM 914 O GLU A 61 -5.072 -9.536 -12.969 1.00 0.00 O ATOM 915 CB GLU A 61 -6.308 -9.333 -10.381 1.00 0.00 C ATOM 916 CG GLU A 61 -6.305 -9.773 -8.916 1.00 0.00 C ATOM 917 CD GLU A 61 -6.887 -11.181 -8.765 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.088 -11.335 -9.077 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.118 -12.070 -8.342 1.00 0.00 O ATOM 0 H GLU A 61 -5.849 -6.852 -10.041 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.181 -9.222 -10.331 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.147 -8.660 -10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.452 -10.201 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.286 -9.753 -8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.886 -9.069 -8.320 1.00 0.00 H new ATOM 926 N GLU A 62 -4.381 -7.397 -12.721 1.00 0.00 N ATOM 927 CA GLU A 62 -4.165 -7.185 -14.143 1.00 0.00 C ATOM 928 C GLU A 62 -2.727 -6.729 -14.398 1.00 0.00 C ATOM 929 O GLU A 62 -2.352 -6.453 -15.537 1.00 0.00 O ATOM 930 CB GLU A 62 -5.168 -6.177 -14.706 1.00 0.00 C ATOM 931 CG GLU A 62 -6.594 -6.519 -14.270 1.00 0.00 C ATOM 932 CD GLU A 62 -7.447 -6.943 -15.467 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.554 -6.125 -16.405 1.00 0.00 O ATOM 934 OE2 GLU A 62 -7.973 -8.076 -15.416 1.00 0.00 O ATOM 0 H GLU A 62 -4.171 -6.591 -12.133 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.323 -8.131 -14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.911 -5.174 -14.366 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.109 -6.169 -15.794 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.570 -7.322 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.047 -5.655 -13.784 1.00 0.00 H new ATOM 941 N ASN A 63 -1.960 -6.664 -13.319 1.00 0.00 N ATOM 942 CA ASN A 63 -0.571 -6.246 -13.412 1.00 0.00 C ATOM 943 C ASN A 63 -0.513 -4.744 -13.696 1.00 0.00 C ATOM 944 O ASN A 63 0.478 -4.247 -14.228 1.00 0.00 O ATOM 945 CB ASN A 63 0.147 -6.971 -14.553 1.00 0.00 C ATOM 946 CG ASN A 63 1.648 -7.076 -14.276 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.101 -7.861 -13.460 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.391 -6.244 -15.000 1.00 0.00 N ATOM 0 H ASN A 63 -2.274 -6.894 -12.376 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.082 -6.486 -12.468 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.274 -7.969 -14.677 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.017 -6.437 -15.489 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.405 -6.238 -14.889 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.947 -5.612 -15.666 1.00 0.00 H new ATOM 955 N GLU A 64 -1.588 -4.063 -13.329 1.00 0.00 N ATOM 956 CA GLU A 64 -1.672 -2.627 -13.537 1.00 0.00 C ATOM 957 C GLU A 64 -1.526 -1.888 -12.206 1.00 0.00 C ATOM 958 O GLU A 64 -2.231 -2.188 -11.244 1.00 0.00 O ATOM 959 CB GLU A 64 -2.982 -2.250 -14.233 1.00 0.00 C ATOM 960 CG GLU A 64 -2.861 -2.404 -15.750 1.00 0.00 C ATOM 961 CD GLU A 64 -4.110 -1.872 -16.456 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.316 -0.641 -16.394 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.830 -2.709 -17.043 1.00 0.00 O ATOM 0 H GLU A 64 -2.409 -4.479 -12.889 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.852 -2.325 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.789 -2.882 -13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.245 -1.221 -13.988 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.982 -1.867 -16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.716 -3.454 -16.002 1.00 0.00 H new ATOM 970 N GLU A 65 -0.605 -0.935 -12.193 1.00 0.00 N ATOM 971 CA GLU A 65 -0.357 -0.151 -10.995 1.00 0.00 C ATOM 972 C GLU A 65 -1.636 0.562 -10.553 1.00 0.00 C ATOM 973 O GLU A 65 -2.283 1.238 -11.352 1.00 0.00 O ATOM 974 CB GLU A 65 0.778 0.850 -11.221 1.00 0.00 C ATOM 975 CG GLU A 65 2.135 0.223 -10.894 1.00 0.00 C ATOM 976 CD GLU A 65 3.220 1.296 -10.777 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.629 1.809 -11.841 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.617 1.578 -9.625 1.00 0.00 O ATOM 0 H GLU A 65 -0.022 -0.688 -12.993 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.048 -0.828 -10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.769 1.187 -12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.621 1.731 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.067 -0.334 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.407 -0.491 -11.671 1.00 0.00 H new ATOM 985 N VAL A 66 -1.964 0.386 -9.281 1.00 0.00 N ATOM 986 CA VAL A 66 -3.154 1.004 -8.723 1.00 0.00 C ATOM 987 C VAL A 66 -2.748 1.969 -7.607 1.00 0.00 C ATOM 988 O VAL A 66 -2.154 1.558 -6.612 1.00 0.00 O ATOM 989 CB VAL A 66 -4.132 -0.075 -8.253 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.381 0.551 -7.628 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.506 -1.014 -9.401 1.00 0.00 C ATOM 0 H VAL A 66 -1.426 -0.176 -8.621 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.673 1.587 -9.484 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.634 -0.667 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.059 -0.238 -7.303 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.093 1.159 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.881 1.178 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.202 -1.771 -9.040 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.976 -0.442 -10.201 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.607 -1.499 -9.782 1.00 0.00 H new ATOM 1001 N SER A 67 -3.084 3.234 -7.811 1.00 0.00 N ATOM 1002 CA SER A 67 -2.761 4.261 -6.835 1.00 0.00 C ATOM 1003 C SER A 67 -3.873 4.355 -5.788 1.00 0.00 C ATOM 1004 O SER A 67 -5.052 4.409 -6.133 1.00 0.00 O ATOM 1005 CB SER A 67 -2.553 5.618 -7.512 1.00 0.00 C ATOM 1006 OG SER A 67 -3.786 6.294 -7.743 1.00 0.00 O ATOM 0 H SER A 67 -3.577 3.571 -8.638 1.00 0.00 H new ATOM 0 HA SER A 67 -1.829 3.984 -6.342 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.910 6.239 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.035 5.474 -8.460 1.00 0.00 H new ATOM 0 HG SER A 67 -3.611 7.156 -8.175 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.457 4.372 -4.530 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.402 4.459 -3.430 1.00 0.00 C ATOM 1014 C ILE A 68 -4.424 5.891 -2.894 1.00 0.00 C ATOM 1015 O ILE A 68 -3.380 6.445 -2.551 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.083 3.408 -2.365 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.127 1.997 -2.956 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.011 3.552 -1.157 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.648 0.961 -1.937 1.00 0.00 C ATOM 0 H ILE A 68 -2.478 4.327 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.411 4.233 -3.776 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.066 3.578 -2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.144 1.761 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.501 1.952 -3.847 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.763 2.793 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.887 4.542 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.045 3.424 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.689 -0.033 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.622 1.186 -1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.291 0.992 -1.057 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.624 6.450 -2.838 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.795 7.808 -2.348 1.00 0.00 C ATOM 1033 C ASN A 69 -6.619 7.781 -1.060 1.00 0.00 C ATOM 1034 O ASN A 69 -6.352 8.543 -0.132 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.540 8.671 -3.368 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.569 9.554 -4.153 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.383 10.725 -3.865 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.962 8.930 -5.159 1.00 0.00 N ATOM 0 H ASN A 69 -6.487 5.988 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.806 8.230 -2.172 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.093 8.031 -4.056 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.272 9.295 -2.856 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.295 9.434 -5.744 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.163 7.948 -5.346 1.00 0.00 H new ATOM 1045 N SER A 70 -7.605 6.895 -1.044 1.00 0.00 N ATOM 1046 CA SER A 70 -8.470 6.759 0.116 1.00 0.00 C ATOM 1047 C SER A 70 -8.393 5.332 0.661 1.00 0.00 C ATOM 1048 O SER A 70 -7.693 4.487 0.104 1.00 0.00 O ATOM 1049 CB SER A 70 -9.916 7.117 -0.231 1.00 0.00 C ATOM 1050 OG SER A 70 -10.001 8.326 -0.981 1.00 0.00 O ATOM 0 H SER A 70 -7.824 6.265 -1.816 1.00 0.00 H new ATOM 0 HA SER A 70 -8.126 7.453 0.883 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.364 6.304 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.495 7.218 0.687 1.00 0.00 H new ATOM 0 HG SER A 70 -10.940 8.519 -1.184 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.121 5.106 1.745 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.145 3.795 2.371 1.00 0.00 C ATOM 1058 C GLN A 71 -9.760 2.764 1.423 1.00 0.00 C ATOM 1059 O GLN A 71 -9.134 1.753 1.109 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.900 3.837 3.702 1.00 0.00 C ATOM 1061 CG GLN A 71 -10.016 2.438 4.310 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.121 2.301 5.543 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.490 2.651 6.652 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.927 1.772 5.289 1.00 0.00 N ATOM 0 H GLN A 71 -9.699 5.809 2.206 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.118 3.496 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.382 4.498 4.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.895 4.254 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.052 2.242 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.736 1.690 3.568 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.682 1.500 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.257 1.638 6.046 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.979 3.056 0.994 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.687 2.167 0.089 1.00 0.00 C ATOM 1075 C GLY A 72 -10.733 1.566 -0.946 1.00 0.00 C ATOM 1076 O GLY A 72 -10.803 0.374 -1.242 1.00 0.00 O ATOM 0 H GLY A 72 -11.494 3.896 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.164 1.368 0.657 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.481 2.715 -0.418 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.863 2.419 -1.467 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.897 1.987 -2.463 1.00 0.00 C ATOM 1082 C GLU A 73 -7.945 0.950 -1.863 1.00 0.00 C ATOM 1083 O GLU A 73 -7.696 -0.092 -2.469 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.122 3.180 -3.028 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.903 3.855 -4.157 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.961 4.599 -5.106 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.696 5.788 -4.826 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.527 3.962 -6.090 1.00 0.00 O ATOM 0 H GLU A 73 -9.807 3.407 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.437 1.522 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.927 3.901 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.153 2.846 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.467 3.106 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.627 4.553 -3.737 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.439 1.270 -0.682 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.521 0.379 0.006 1.00 0.00 C ATOM 1097 C TYR A 74 -7.205 -0.942 0.366 1.00 0.00 C ATOM 1098 O TYR A 74 -6.679 -2.016 0.080 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.118 1.099 1.294 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.109 0.330 2.148 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.212 -0.531 1.549 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.096 0.496 3.518 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.262 -1.255 2.354 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.146 -0.228 4.323 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.276 -1.068 3.701 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.379 -1.752 4.460 1.00 0.00 O ATOM 0 H TYR A 74 -7.648 2.135 -0.183 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.665 0.147 -0.628 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.696 2.071 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.012 1.287 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.222 -0.662 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.799 1.169 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.554 -1.931 1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.125 -0.107 5.396 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.504 -1.519 5.404 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.367 -0.818 0.990 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.129 -1.988 1.393 1.00 0.00 C ATOM 1118 C GLU A 75 -9.049 -3.070 0.314 1.00 0.00 C ATOM 1119 O GLU A 75 -8.490 -4.141 0.544 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.583 -1.619 1.694 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.685 -0.800 2.982 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.835 -1.300 3.859 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -11.655 -2.372 4.474 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.869 -0.597 3.894 1.00 0.00 O ATOM 0 H GLU A 75 -8.800 0.075 1.227 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.693 -2.384 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.997 -1.049 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.180 -2.526 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.747 -0.865 3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.839 0.251 2.738 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.617 -2.753 -0.840 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.618 -3.684 -1.955 1.00 0.00 C ATOM 1133 C GLU A 76 -8.220 -4.274 -2.155 1.00 0.00 C ATOM 1134 O GLU A 76 -8.051 -5.492 -2.154 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.116 -3.008 -3.234 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.614 -2.707 -3.148 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.438 -3.994 -3.233 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.043 -4.869 -4.033 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.443 -4.073 -2.495 1.00 0.00 O ATOM 0 H GLU A 76 -10.080 -1.864 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.305 -4.498 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.564 -2.082 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.920 -3.653 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.832 -2.193 -2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.900 -2.034 -3.956 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.255 -3.382 -2.322 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.877 -3.798 -2.522 1.00 0.00 C ATOM 1148 C ALA A 77 -5.497 -4.820 -1.449 1.00 0.00 C ATOM 1149 O ALA A 77 -4.828 -5.811 -1.739 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.965 -2.570 -2.508 1.00 0.00 C ATOM 0 H ALA A 77 -7.400 -2.372 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.758 -4.280 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.932 -2.883 -2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.258 -1.890 -3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.054 -2.061 -1.548 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.939 -4.544 -0.231 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.653 -5.426 0.887 1.00 0.00 C ATOM 1158 C LEU A 78 -6.377 -6.758 0.679 1.00 0.00 C ATOM 1159 O LEU A 78 -5.869 -7.811 1.059 1.00 0.00 O ATOM 1160 CB LEU A 78 -5.994 -4.741 2.212 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.979 -3.715 2.718 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.546 -2.914 3.892 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.650 -4.386 3.071 1.00 0.00 C ATOM 0 H LEU A 78 -6.493 -3.721 0.006 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.587 -5.646 0.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.959 -4.245 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.115 -5.510 2.975 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.779 -3.008 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.804 -2.192 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.445 -2.387 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.794 -3.592 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.946 -3.634 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.814 -5.129 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.242 -4.873 2.185 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.553 -6.667 0.076 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.353 -7.851 -0.188 1.00 0.00 C ATOM 1177 C LYS A 79 -7.643 -8.719 -1.229 1.00 0.00 C ATOM 1178 O LYS A 79 -7.621 -9.943 -1.111 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.778 -7.458 -0.583 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.565 -6.957 0.630 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.334 -5.678 0.295 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.401 -5.387 1.351 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.507 -4.595 0.767 1.00 0.00 N ATOM 0 H LYS A 79 -7.971 -5.791 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.452 -8.453 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.746 -6.681 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.287 -8.316 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.261 -7.728 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.882 -6.768 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.641 -4.839 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.804 -5.778 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.789 -6.323 1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.957 -4.843 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.548 -3.664 1.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.344 -4.470 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.407 -5.094 0.915 1.00 0.00 H new ATOM 1197 N MET A 80 -7.081 -8.051 -2.225 1.00 0.00 N ATOM 1198 CA MET A 80 -6.372 -8.746 -3.286 1.00 0.00 C ATOM 1199 C MET A 80 -5.100 -9.408 -2.754 1.00 0.00 C ATOM 1200 O MET A 80 -4.792 -10.545 -3.109 1.00 0.00 O ATOM 1201 CB MET A 80 -6.007 -7.753 -4.392 1.00 0.00 C ATOM 1202 CG MET A 80 -5.685 -8.482 -5.698 1.00 0.00 C ATOM 1203 SD MET A 80 -4.769 -7.405 -6.788 1.00 0.00 S ATOM 1204 CE MET A 80 -3.115 -7.674 -6.172 1.00 0.00 C ATOM 0 H MET A 80 -7.102 -7.036 -2.320 1.00 0.00 H new ATOM 0 HA MET A 80 -7.024 -9.524 -3.684 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.834 -7.061 -4.552 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.148 -7.158 -4.082 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.105 -9.381 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.607 -8.804 -6.182 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.628 -6.713 -6.004 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.162 -8.226 -5.233 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.544 -8.248 -6.902 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.395 -8.669 -1.910 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.163 -9.170 -1.325 1.00 0.00 C ATOM 1216 C ALA A 81 -3.405 -10.571 -0.759 1.00 0.00 C ATOM 1217 O ALA A 81 -2.566 -11.458 -0.907 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.667 -8.189 -0.261 1.00 0.00 C ATOM 0 H ALA A 81 -4.654 -7.727 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.384 -9.251 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.743 -8.565 0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.482 -7.218 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.422 -8.085 0.518 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.557 -10.726 -0.123 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.920 -12.004 0.466 1.00 0.00 C ATOM 1226 C VAL A 82 -4.863 -13.090 -0.609 1.00 0.00 C ATOM 1227 O VAL A 82 -4.365 -14.188 -0.362 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.291 -11.899 1.139 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.730 -13.253 1.701 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.285 -10.827 2.231 1.00 0.00 C ATOM 0 H VAL A 82 -5.251 -9.988 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.211 -12.281 1.246 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.015 -11.600 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.707 -13.151 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.793 -13.980 0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.004 -13.594 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.271 -10.773 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.543 -11.082 2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.037 -9.861 1.791 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.381 -12.748 -1.780 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.395 -13.681 -2.893 1.00 0.00 C ATOM 1242 C LYS A 83 -3.961 -14.105 -3.216 1.00 0.00 C ATOM 1243 O LYS A 83 -3.678 -15.295 -3.353 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.141 -13.080 -4.086 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.623 -12.881 -3.763 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.481 -13.004 -5.024 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.274 -11.719 -5.274 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.277 -11.930 -6.341 1.00 0.00 N ATOM 0 H LYS A 83 -5.794 -11.837 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.943 -14.585 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.692 -12.124 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.039 -13.735 -4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.941 -13.621 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.772 -11.900 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.844 -13.215 -5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.167 -13.845 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.771 -11.407 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.595 -10.915 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.807 -11.049 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.795 -12.207 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.935 -12.683 -6.055 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.093 -13.110 -3.327 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.695 -13.366 -3.630 1.00 0.00 C ATOM 1264 C GLN A 84 -1.090 -14.308 -2.588 1.00 0.00 C ATOM 1265 O GLN A 84 -0.714 -15.434 -2.909 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.904 -12.059 -3.713 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.680 -10.997 -4.494 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.817 -10.391 -5.602 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.274 -11.082 -6.449 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.720 -9.066 -5.549 1.00 0.00 N ATOM 0 H GLN A 84 -3.331 -12.125 -3.212 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.637 -13.850 -4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.692 -11.694 -2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.056 -12.241 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.576 -11.442 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.011 -10.211 -3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.200 -8.549 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.165 -8.567 -6.244 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.015 -13.813 -1.361 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.461 -14.597 -0.270 1.00 0.00 C ATOM 1281 C GLY A 85 -0.194 -13.720 0.955 1.00 0.00 C ATOM 1282 O GLY A 85 0.847 -13.845 1.597 1.00 0.00 O ATOM 0 H GLY A 85 -1.329 -12.879 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.152 -15.397 -0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.467 -15.070 -0.592 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.153 -12.851 1.241 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.035 -11.954 2.378 1.00 0.00 C ATOM 1288 C ASN A 86 0.065 -10.927 2.099 1.00 0.00 C ATOM 1289 O ASN A 86 0.736 -10.465 3.020 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.656 -12.719 3.647 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.520 -13.970 3.812 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.243 -15.025 3.264 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.581 -13.796 4.595 1.00 0.00 N ATOM 0 H ASN A 86 -2.015 -12.749 0.705 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.999 -11.468 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.396 -13.002 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.777 -12.072 4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.220 -14.572 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.755 -12.887 5.023 1.00 0.00 H new ATOM 1300 N GLN A 87 0.214 -10.599 0.824 1.00 0.00 N ATOM 1301 CA GLN A 87 1.221 -9.636 0.412 1.00 0.00 C ATOM 1302 C GLN A 87 0.726 -8.833 -0.793 1.00 0.00 C ATOM 1303 O GLN A 87 -0.155 -9.284 -1.524 1.00 0.00 O ATOM 1304 CB GLN A 87 2.549 -10.329 0.100 1.00 0.00 C ATOM 1305 CG GLN A 87 2.431 -11.202 -1.150 1.00 0.00 C ATOM 1306 CD GLN A 87 2.908 -10.448 -2.393 1.00 0.00 C ATOM 1307 OE1 GLN A 87 4.092 -10.281 -2.634 1.00 0.00 O ATOM 1308 NE2 GLN A 87 1.922 -10.001 -3.166 1.00 0.00 N ATOM 0 H GLN A 87 -0.346 -10.983 0.063 1.00 0.00 H new ATOM 0 HA GLN A 87 1.394 -8.946 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.328 -9.581 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.852 -10.942 0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.022 -12.109 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.395 -11.513 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.951 -10.175 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.137 -9.484 -4.019 1.00 0.00 H new ATOM 1317 N LEU A 88 1.313 -7.657 -0.962 1.00 0.00 N ATOM 1318 CA LEU A 88 0.942 -6.788 -2.066 1.00 0.00 C ATOM 1319 C LEU A 88 2.191 -6.076 -2.590 1.00 0.00 C ATOM 1320 O LEU A 88 3.025 -5.622 -1.808 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.178 -5.835 -1.645 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.887 -5.090 -2.778 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.532 -6.070 -3.759 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.899 -4.084 -2.224 1.00 0.00 C ATOM 0 H LEU A 88 2.042 -7.286 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 88 0.537 -7.373 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.923 -6.405 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.238 -5.099 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.140 -4.523 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.029 -5.515 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.764 -6.712 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.264 -6.683 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.389 -3.568 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.647 -4.610 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.383 -3.357 -1.597 1.00 0.00 H new ATOM 1336 N GLN A 89 2.280 -6.000 -3.910 1.00 0.00 N ATOM 1337 CA GLN A 89 3.413 -5.351 -4.547 1.00 0.00 C ATOM 1338 C GLN A 89 3.094 -3.880 -4.825 1.00 0.00 C ATOM 1339 O GLN A 89 2.451 -3.558 -5.823 1.00 0.00 O ATOM 1340 CB GLN A 89 3.809 -6.078 -5.833 1.00 0.00 C ATOM 1341 CG GLN A 89 4.914 -7.102 -5.566 1.00 0.00 C ATOM 1342 CD GLN A 89 4.354 -8.526 -5.569 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.622 -8.935 -4.683 1.00 0.00 O ATOM 1344 NE2 GLN A 89 4.737 -9.256 -6.613 1.00 0.00 N ATOM 0 H GLN A 89 1.586 -6.377 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 89 4.263 -5.396 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.938 -6.579 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.150 -5.355 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.690 -7.011 -6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.383 -6.894 -4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.352 -8.852 -7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.416 -10.220 -6.707 1.00 0.00 H new ATOM 1353 N MET A 90 3.559 -3.027 -3.924 1.00 0.00 N ATOM 1354 CA MET A 90 3.332 -1.598 -4.060 1.00 0.00 C ATOM 1355 C MET A 90 4.601 -0.883 -4.529 1.00 0.00 C ATOM 1356 O MET A 90 5.710 -1.366 -4.302 1.00 0.00 O ATOM 1357 CB MET A 90 2.889 -1.021 -2.714 1.00 0.00 C ATOM 1358 CG MET A 90 1.636 -1.732 -2.198 1.00 0.00 C ATOM 1359 SD MET A 90 1.488 -1.505 -0.434 1.00 0.00 S ATOM 1360 CE MET A 90 0.190 -0.280 -0.388 1.00 0.00 C ATOM 0 H MET A 90 4.092 -3.298 -3.097 1.00 0.00 H new ATOM 0 HA MET A 90 2.553 -1.443 -4.806 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.695 -1.124 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.689 0.045 -2.820 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.752 -1.338 -2.699 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.688 -2.795 -2.433 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.421 0.467 0.372 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.112 0.205 -1.361 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.757 -0.762 -0.146 1.00 0.00 H new ATOM 1370 N GLN A 91 4.396 0.256 -5.174 1.00 0.00 N ATOM 1371 CA GLN A 91 5.510 1.042 -5.677 1.00 0.00 C ATOM 1372 C GLN A 91 5.337 2.513 -5.294 1.00 0.00 C ATOM 1373 O GLN A 91 4.326 3.130 -5.626 1.00 0.00 O ATOM 1374 CB GLN A 91 5.653 0.883 -7.192 1.00 0.00 C ATOM 1375 CG GLN A 91 6.003 -0.560 -7.561 1.00 0.00 C ATOM 1376 CD GLN A 91 4.847 -1.231 -8.305 1.00 0.00 C ATOM 1377 OE1 GLN A 91 4.577 -0.958 -9.463 1.00 0.00 O ATOM 1378 NE2 GLN A 91 4.181 -2.124 -7.578 1.00 0.00 N ATOM 0 H GLN A 91 3.475 0.653 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 91 6.427 0.673 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.723 1.172 -7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.428 1.555 -7.560 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.897 -0.573 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.235 -1.124 -6.658 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.459 -2.306 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.393 -2.627 -7.985 1.00 0.00 H new ATOM 1387 N VAL A 92 6.339 3.033 -4.601 1.00 0.00 N ATOM 1388 CA VAL A 92 6.311 4.420 -4.170 1.00 0.00 C ATOM 1389 C VAL A 92 6.530 5.331 -5.380 1.00 0.00 C ATOM 1390 O VAL A 92 7.361 5.038 -6.239 1.00 0.00 O ATOM 1391 CB VAL A 92 7.338 4.644 -3.059 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.939 6.048 -3.143 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.721 4.393 -1.682 1.00 0.00 C ATOM 0 H VAL A 92 7.176 2.518 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 92 5.337 4.669 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 92 8.145 3.925 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.666 6.181 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.433 6.175 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.147 6.790 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.473 4.559 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.886 5.076 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.364 3.365 -1.625 1.00 0.00 H new ATOM 1403 N HIS A 93 5.772 6.417 -5.408 1.00 0.00 N ATOM 1404 CA HIS A 93 5.873 7.372 -6.498 1.00 0.00 C ATOM 1405 C HIS A 93 5.841 8.795 -5.938 1.00 0.00 C ATOM 1406 O HIS A 93 4.772 9.389 -5.803 1.00 0.00 O ATOM 1407 CB HIS A 93 4.784 7.121 -7.543 1.00 0.00 C ATOM 1408 CG HIS A 93 5.074 5.962 -8.467 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.075 5.997 -9.421 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.484 4.737 -8.571 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.079 4.839 -10.066 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.092 4.060 -9.538 1.00 0.00 N ATOM 0 H HIS A 93 5.085 6.657 -4.693 1.00 0.00 H new ATOM 0 HA HIS A 93 6.825 7.243 -7.012 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.839 6.937 -7.031 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.652 8.024 -8.140 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.662 4.378 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 93 6.746 4.561 -10.868 1.00 0.00 H new ATOM 0 HE2 HIS A 93 4.859 3.113 -9.837 1.00 0.00 H new ATOM 1420 N GLU A 94 7.025 9.301 -5.628 1.00 0.00 N ATOM 1421 CA GLU A 94 7.147 10.644 -5.085 1.00 0.00 C ATOM 1422 C GLU A 94 6.237 11.609 -5.848 1.00 0.00 C ATOM 1423 O GLU A 94 6.032 11.454 -7.051 1.00 0.00 O ATOM 1424 CB GLU A 94 8.601 11.119 -5.118 1.00 0.00 C ATOM 1425 CG GLU A 94 9.108 11.428 -3.708 1.00 0.00 C ATOM 1426 CD GLU A 94 9.153 12.938 -3.461 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.460 13.663 -4.431 1.00 0.00 O ATOM 1428 OE2 GLU A 94 8.880 13.332 -2.306 1.00 0.00 O ATOM 0 H GLU A 94 7.909 8.805 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 94 6.830 10.624 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.228 10.352 -5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.683 12.010 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.458 10.955 -2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.103 11.004 -3.574 1.00 0.00 H new ATOM 1435 N GLY A 95 5.715 12.583 -5.117 1.00 0.00 N ATOM 1436 CA GLY A 95 4.832 13.573 -5.710 1.00 0.00 C ATOM 1437 C GLY A 95 3.383 13.081 -5.715 1.00 0.00 C ATOM 1438 O GLY A 95 3.103 11.968 -6.155 1.00 0.00 O ATOM 0 H GLY A 95 5.887 12.708 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.901 14.507 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.151 13.786 -6.730 1.00 0.00 H new ATOM 1442 N SER A 96 2.500 13.937 -5.219 1.00 0.00 N ATOM 1443 CA SER A 96 1.087 13.604 -5.161 1.00 0.00 C ATOM 1444 C SER A 96 0.472 13.688 -6.559 1.00 0.00 C ATOM 1445 O SER A 96 -0.119 12.722 -7.041 1.00 0.00 O ATOM 1446 CB SER A 96 0.342 14.529 -4.197 1.00 0.00 C ATOM 1447 OG SER A 96 -1.034 14.181 -4.080 1.00 0.00 O ATOM 0 H SER A 96 2.736 14.860 -4.854 1.00 0.00 H new ATOM 0 HA SER A 96 0.991 12.584 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.812 14.484 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.427 15.559 -4.544 1.00 0.00 H new ATOM 0 HG SER A 96 -1.474 14.794 -3.455 1.00 0.00 H new ATOM 1453 N GLY A 97 0.631 14.852 -7.172 1.00 0.00 N ATOM 1454 CA GLY A 97 0.098 15.075 -8.505 1.00 0.00 C ATOM 1455 C GLY A 97 -0.010 16.571 -8.809 1.00 0.00 C ATOM 1456 O GLY A 97 -1.086 17.155 -8.694 1.00 0.00 O ATOM 0 H GLY A 97 1.122 15.651 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 97 0.742 14.596 -9.243 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.885 14.611 -8.590 1.00 0.00 H new ATOM 1460 N PRO A 98 1.150 17.162 -9.202 1.00 0.00 N ATOM 1461 CA PRO A 98 1.196 18.579 -9.524 1.00 0.00 C ATOM 1462 C PRO A 98 0.555 18.853 -10.886 1.00 0.00 C ATOM 1463 O PRO A 98 0.237 17.922 -11.625 1.00 0.00 O ATOM 1464 CB PRO A 98 2.671 18.945 -9.477 1.00 0.00 C ATOM 1465 CG PRO A 98 3.430 17.633 -9.590 1.00 0.00 C ATOM 1466 CD PRO A 98 2.443 16.501 -9.350 1.00 0.00 C ATOM 0 HA PRO A 98 0.625 19.189 -8.823 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.932 19.619 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.916 19.459 -8.548 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.886 17.539 -10.576 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.239 17.596 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 98 2.436 15.799 -10.184 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.702 15.933 -8.457 1.00 0.00 H new ATOM 1474 N SER A 99 0.383 20.134 -11.176 1.00 0.00 N ATOM 1475 CA SER A 99 -0.215 20.542 -12.436 1.00 0.00 C ATOM 1476 C SER A 99 0.252 21.952 -12.804 1.00 0.00 C ATOM 1477 O SER A 99 0.189 22.865 -11.982 1.00 0.00 O ATOM 1478 CB SER A 99 -1.742 20.490 -12.363 1.00 0.00 C ATOM 1479 OG SER A 99 -2.284 19.492 -13.224 1.00 0.00 O ATOM 0 H SER A 99 0.647 20.903 -10.560 1.00 0.00 H new ATOM 0 HA SER A 99 0.108 19.846 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.049 20.289 -11.337 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.151 21.463 -12.634 1.00 0.00 H new ATOM 0 HG SER A 99 -3.261 19.489 -13.147 1.00 0.00 H new ATOM 1485 N SER A 100 0.710 22.086 -14.040 1.00 0.00 N ATOM 1486 CA SER A 100 1.187 23.369 -14.527 1.00 0.00 C ATOM 1487 C SER A 100 0.269 24.490 -14.033 1.00 0.00 C ATOM 1488 O SER A 100 -0.953 24.362 -14.080 1.00 0.00 O ATOM 1489 CB SER A 100 1.267 23.383 -16.055 1.00 0.00 C ATOM 1490 OG SER A 100 2.473 23.984 -16.520 1.00 0.00 O ATOM 0 H SER A 100 0.761 21.327 -14.719 1.00 0.00 H new ATOM 0 HA SER A 100 2.191 23.531 -14.136 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.202 22.362 -16.431 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.412 23.926 -16.458 1.00 0.00 H new ATOM 0 HG SER A 100 2.488 23.972 -17.500 1.00 0.00 H new ATOM 1496 N GLY A 101 0.895 25.562 -13.571 1.00 0.00 N ATOM 1497 CA GLY A 101 0.150 26.705 -13.069 1.00 0.00 C ATOM 1498 C GLY A 101 0.395 27.942 -13.935 1.00 0.00 C ATOM 1499 O GLY A 101 1.513 28.452 -13.992 1.00 0.00 O ATOM 0 H GLY A 101 1.909 25.664 -13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.915 26.472 -13.055 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.445 26.913 -12.040 1.00 0.00 H new TER 1503 GLY A 101