USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1076 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 20 HIS : no HD1:sc= -0.6 X(o=-0.65,f=-0.21) USER MOD Set 1.2: A 96 LYS NZ :NH3+ 180:sc= -0.0469 (180deg=-0.0469) USER MOD Set 2.1: A 71 THR OG1 : rot 125:sc= -0.489 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -9.98! C(o=-34!,f=-36!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -23.5! C(o=-34!,f=-41!) USER MOD Set 3.1: A 60 ASN : amide:sc= -4.31! C(o=-14!,f=-14!) USER MOD Set 3.2: A 65 ASN :FLIP amide:sc= -9.46! C(o=-15!,f=-14!) USER MOD Set 4.1: A 57 SER OG : rot 178:sc= -1.53! USER MOD Set 4.2: A 59 HIS : no HE2:sc= -7.41! C(o=-8.9!,f=-15!) USER MOD Set 5.1: A 35 THR OG1 : rot 94:sc= -2.81! USER MOD Set 5.2: A 36 THR OG1 : rot 150:sc= -1.71! USER MOD Set 5.3: A 39 LYS NZ :NH3+ -146:sc= -1.29! (180deg=-3.54!) USER MOD Set 5.4: A 91 SER OG : rot 180:sc= -0.0208 USER MOD Set 6.1: A 34 TYR OH : rot 130:sc= -2.3! USER MOD Set 6.2: A 64 HIS : no HD1:sc= -15.9! C(o=-18!,f=-19!) USER MOD Set 7.1: A 19 SER OG : rot -75:sc= 0.657 USER MOD Set 7.2: A 99 ASN : amide:sc= -2.22! C(o=-1.6!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.22! C(o=-2.2!,f=-2!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.00724 USER MOD Single : A 30 CYS SG : rot 10:sc= -8.6! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 151:sc= -0.104 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -3.68! (180deg=-6.14!) USER MOD Single : A 48 MET CE :methyl -178:sc= 0 (180deg=-0.00228) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00561 USER MOD Single : A 61 SER OG : rot 179:sc= 0.0527 USER MOD Single : A 62 TYR OH : rot -46:sc= 0.525 USER MOD Single : A 63 ASN : amide:sc= -0.0311 K(o=-0.031,f=-2.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -1.07 F(o=-2.4!,f=-1.1) USER MOD Single : A 82 ASN : amide:sc= -0.506 K(o=-0.51,f=-3.5!) USER MOD Single : A 83 TYR OH : rot 100:sc= -4.37! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 17:sc= -2.23! USER MOD Single : A 89 THR OG1 : rot 16:sc= 1.34 USER MOD Single : A 95 CYS SG : rot -100:sc= -2.1! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 167:sc= -0.0173 (180deg=-0.471) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -73:sc= 1.11 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 HIS : no HD1:sc= -6.28! C(o=-6.3!,f=-8.9!) USER MOD Single : A 130 ASN :FLIP amide:sc= -0.755 F(o=-2.3!,f=-0.76) USER MOD Single : A 133 SER OG : rot 96:sc= 0.572 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 117.931 -17.150 22.973 1.00 0.00 N ATOM 2 CA GLY A 1 116.657 -16.842 22.187 1.00 0.00 C ATOM 3 C GLY A 1 116.687 -15.798 21.125 1.00 0.00 C ATOM 4 O GLY A 1 117.530 -15.812 20.249 1.00 0.00 O ATOM 0 H1 GLY A 1 117.737 -17.897 23.670 1.00 0.00 H new ATOM 0 H2 GLY A 1 118.673 -17.471 22.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 118.251 -16.292 23.466 1.00 0.00 H new ATOM 0 HA2 GLY A 1 116.326 -17.771 21.723 1.00 0.00 H new ATOM 0 HA3 GLY A 1 115.890 -16.555 22.906 1.00 0.00 H new ATOM 10 N SER A 2 115.773 -14.867 21.168 1.00 0.00 N ATOM 11 CA SER A 2 115.751 -13.795 20.134 1.00 0.00 C ATOM 12 C SER A 2 114.658 -12.781 20.473 1.00 0.00 C ATOM 13 O SER A 2 113.499 -12.978 20.168 1.00 0.00 O ATOM 14 CB SER A 2 115.466 -14.414 18.765 1.00 0.00 C ATOM 15 OG SER A 2 115.787 -13.474 17.748 1.00 0.00 O ATOM 0 H SER A 2 115.041 -14.803 21.875 1.00 0.00 H new ATOM 0 HA SER A 2 116.718 -13.292 20.111 1.00 0.00 H new ATOM 0 HB2 SER A 2 116.054 -15.323 18.635 1.00 0.00 H new ATOM 0 HB3 SER A 2 114.417 -14.700 18.694 1.00 0.00 H new ATOM 0 HG SER A 2 115.607 -13.869 16.869 1.00 0.00 H new ATOM 21 N LYS A 3 115.017 -11.695 21.103 1.00 0.00 N ATOM 22 CA LYS A 3 113.998 -10.670 21.459 1.00 0.00 C ATOM 23 C LYS A 3 114.000 -9.564 20.403 1.00 0.00 C ATOM 24 O LYS A 3 114.206 -8.405 20.705 1.00 0.00 O ATOM 25 CB LYS A 3 114.333 -10.070 22.827 1.00 0.00 C ATOM 26 CG LYS A 3 115.678 -9.344 22.752 1.00 0.00 C ATOM 27 CD LYS A 3 116.538 -9.737 23.955 1.00 0.00 C ATOM 28 CE LYS A 3 116.926 -11.213 23.846 1.00 0.00 C ATOM 29 NZ LYS A 3 117.828 -11.574 24.976 1.00 0.00 N ATOM 0 H LYS A 3 115.972 -11.475 21.386 1.00 0.00 H new ATOM 0 HA LYS A 3 113.013 -11.135 21.498 1.00 0.00 H new ATOM 0 HB2 LYS A 3 113.550 -9.376 23.133 1.00 0.00 H new ATOM 0 HB3 LYS A 3 114.374 -10.857 23.580 1.00 0.00 H new ATOM 0 HG2 LYS A 3 116.191 -9.601 21.825 1.00 0.00 H new ATOM 0 HG3 LYS A 3 115.521 -8.265 22.741 1.00 0.00 H new ATOM 0 HD2 LYS A 3 117.433 -9.117 23.993 1.00 0.00 H new ATOM 0 HD3 LYS A 3 115.989 -9.562 24.880 1.00 0.00 H new ATOM 0 HE2 LYS A 3 116.033 -11.837 23.866 1.00 0.00 H new ATOM 0 HE3 LYS A 3 117.424 -11.400 22.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 118.092 -12.577 24.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 118.685 -10.987 24.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 117.337 -11.411 25.878 1.00 0.00 H new ATOM 43 N VAL A 4 113.778 -9.915 19.165 1.00 0.00 N ATOM 44 CA VAL A 4 113.768 -8.890 18.084 1.00 0.00 C ATOM 45 C VAL A 4 113.025 -7.643 18.565 1.00 0.00 C ATOM 46 O VAL A 4 112.125 -7.720 19.379 1.00 0.00 O ATOM 47 CB VAL A 4 113.067 -9.458 16.850 1.00 0.00 C ATOM 48 CG1 VAL A 4 111.597 -9.728 17.177 1.00 0.00 C ATOM 49 CG2 VAL A 4 113.156 -8.449 15.703 1.00 0.00 C ATOM 0 H VAL A 4 113.603 -10.871 18.856 1.00 0.00 H new ATOM 0 HA VAL A 4 114.794 -8.623 17.829 1.00 0.00 H new ATOM 0 HB VAL A 4 113.551 -10.389 16.554 1.00 0.00 H new ATOM 0 HG11 VAL A 4 111.097 -10.133 16.297 1.00 0.00 H new ATOM 0 HG12 VAL A 4 111.532 -10.446 17.994 1.00 0.00 H new ATOM 0 HG13 VAL A 4 111.113 -8.797 17.473 1.00 0.00 H new ATOM 0 HG21 VAL A 4 112.656 -8.854 14.823 1.00 0.00 H new ATOM 0 HG22 VAL A 4 112.672 -7.518 15.999 1.00 0.00 H new ATOM 0 HG23 VAL A 4 114.203 -8.256 15.469 1.00 0.00 H new ATOM 59 N GLU A 5 113.393 -6.493 18.070 1.00 0.00 N ATOM 60 CA GLU A 5 112.707 -5.243 18.501 1.00 0.00 C ATOM 61 C GLU A 5 111.561 -4.932 17.536 1.00 0.00 C ATOM 62 O GLU A 5 111.756 -4.341 16.493 1.00 0.00 O ATOM 63 CB GLU A 5 113.708 -4.085 18.499 1.00 0.00 C ATOM 64 CG GLU A 5 114.146 -3.788 19.935 1.00 0.00 C ATOM 65 CD GLU A 5 115.332 -2.823 19.917 1.00 0.00 C ATOM 66 OE1 GLU A 5 116.253 -3.060 19.154 1.00 0.00 O ATOM 67 OE2 GLU A 5 115.299 -1.862 20.669 1.00 0.00 O ATOM 0 H GLU A 5 114.139 -6.365 17.386 1.00 0.00 H new ATOM 0 HA GLU A 5 112.308 -5.375 19.507 1.00 0.00 H new ATOM 0 HB2 GLU A 5 114.574 -4.340 17.888 1.00 0.00 H new ATOM 0 HB3 GLU A 5 113.255 -3.199 18.055 1.00 0.00 H new ATOM 0 HG2 GLU A 5 113.319 -3.354 20.496 1.00 0.00 H new ATOM 0 HG3 GLU A 5 114.424 -4.713 20.441 1.00 0.00 H new ATOM 74 N ASP A 6 110.365 -5.328 17.877 1.00 0.00 N ATOM 75 CA ASP A 6 109.205 -5.058 16.982 1.00 0.00 C ATOM 76 C ASP A 6 109.169 -3.565 16.626 1.00 0.00 C ATOM 77 O ASP A 6 109.061 -2.729 17.502 1.00 0.00 O ATOM 78 CB ASP A 6 107.910 -5.438 17.703 1.00 0.00 C ATOM 79 CG ASP A 6 106.712 -5.113 16.808 1.00 0.00 C ATOM 80 OD1 ASP A 6 106.378 -5.939 15.975 1.00 0.00 O ATOM 81 OD2 ASP A 6 106.148 -4.043 16.972 1.00 0.00 O ATOM 0 H ASP A 6 110.141 -5.827 18.738 1.00 0.00 H new ATOM 0 HA ASP A 6 109.304 -5.647 16.070 1.00 0.00 H new ATOM 0 HB2 ASP A 6 107.916 -6.500 17.948 1.00 0.00 H new ATOM 0 HB3 ASP A 6 107.832 -4.894 18.644 1.00 0.00 H new ATOM 86 N PRO A 7 109.257 -3.269 15.351 1.00 0.00 N ATOM 87 CA PRO A 7 109.233 -1.881 14.857 1.00 0.00 C ATOM 88 C PRO A 7 107.796 -1.352 14.830 1.00 0.00 C ATOM 89 O PRO A 7 106.937 -1.893 14.163 1.00 0.00 O ATOM 90 CB PRO A 7 109.800 -1.994 13.440 1.00 0.00 C ATOM 91 CG PRO A 7 109.586 -3.461 13.000 1.00 0.00 C ATOM 92 CD PRO A 7 109.390 -4.285 14.286 1.00 0.00 C ATOM 0 HA PRO A 7 109.800 -1.192 15.482 1.00 0.00 H new ATOM 0 HB2 PRO A 7 109.292 -1.307 12.763 1.00 0.00 H new ATOM 0 HB3 PRO A 7 110.858 -1.734 13.423 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.716 -3.547 12.349 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.444 -3.824 12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 7 108.503 -4.915 14.224 1.00 0.00 H new ATOM 0 HD3 PRO A 7 110.238 -4.945 14.469 1.00 0.00 H new ATOM 100 N LYS A 8 107.530 -0.299 15.552 1.00 0.00 N ATOM 101 CA LYS A 8 106.150 0.263 15.570 1.00 0.00 C ATOM 102 C LYS A 8 105.927 1.122 14.323 1.00 0.00 C ATOM 103 O LYS A 8 104.869 1.687 14.129 1.00 0.00 O ATOM 104 CB LYS A 8 105.969 1.127 16.821 1.00 0.00 C ATOM 105 CG LYS A 8 106.983 2.272 16.800 1.00 0.00 C ATOM 106 CD LYS A 8 106.800 3.140 18.047 1.00 0.00 C ATOM 107 CE LYS A 8 107.489 4.488 17.833 1.00 0.00 C ATOM 108 NZ LYS A 8 106.476 5.503 17.426 1.00 0.00 N ATOM 0 H LYS A 8 108.208 0.197 16.130 1.00 0.00 H new ATOM 0 HA LYS A 8 105.428 -0.553 15.581 1.00 0.00 H new ATOM 0 HB2 LYS A 8 104.955 1.525 16.857 1.00 0.00 H new ATOM 0 HB3 LYS A 8 106.106 0.522 17.717 1.00 0.00 H new ATOM 0 HG2 LYS A 8 107.997 1.873 16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 8 106.848 2.875 15.902 1.00 0.00 H new ATOM 0 HD2 LYS A 8 105.739 3.289 18.247 1.00 0.00 H new ATOM 0 HD3 LYS A 8 107.221 2.638 18.918 1.00 0.00 H new ATOM 0 HE2 LYS A 8 107.988 4.803 18.749 1.00 0.00 H new ATOM 0 HE3 LYS A 8 108.258 4.398 17.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 106.943 6.421 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 106.019 5.202 16.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 105.758 5.595 18.172 1.00 0.00 H new ATOM 122 N ASP A 9 106.914 1.228 13.475 1.00 0.00 N ATOM 123 CA ASP A 9 106.753 2.052 12.245 1.00 0.00 C ATOM 124 C ASP A 9 108.108 2.208 11.551 1.00 0.00 C ATOM 125 O ASP A 9 109.034 1.463 11.802 1.00 0.00 O ATOM 126 CB ASP A 9 106.213 3.434 12.622 1.00 0.00 C ATOM 127 CG ASP A 9 104.983 3.753 11.770 1.00 0.00 C ATOM 128 OD1 ASP A 9 104.945 3.313 10.633 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.102 4.434 12.269 1.00 0.00 O ATOM 0 H ASP A 9 107.824 0.780 13.581 1.00 0.00 H new ATOM 0 HA ASP A 9 106.054 1.559 11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 9 105.951 3.457 13.680 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.982 4.191 12.467 1.00 0.00 H new ATOM 134 N PHE A 10 108.230 3.173 10.681 1.00 0.00 N ATOM 135 CA PHE A 10 109.524 3.378 9.971 1.00 0.00 C ATOM 136 C PHE A 10 110.554 3.955 10.946 1.00 0.00 C ATOM 137 O PHE A 10 110.195 4.604 11.909 1.00 0.00 O ATOM 138 CB PHE A 10 109.321 4.359 8.813 1.00 0.00 C ATOM 139 CG PHE A 10 108.725 3.631 7.632 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.549 2.888 7.789 1.00 0.00 C ATOM 141 CD2 PHE A 10 109.348 3.698 6.379 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.995 2.214 6.692 1.00 0.00 C ATOM 143 CE2 PHE A 10 108.794 3.024 5.284 1.00 0.00 C ATOM 144 CZ PHE A 10 107.618 2.283 5.441 1.00 0.00 C ATOM 0 H PHE A 10 107.489 3.828 10.431 1.00 0.00 H new ATOM 0 HA PHE A 10 109.880 2.423 9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.663 5.171 9.122 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.273 4.809 8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.069 2.834 8.755 1.00 0.00 H new ATOM 0 HD2 PHE A 10 110.256 4.270 6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 10 106.087 1.641 6.812 1.00 0.00 H new ATOM 0 HE2 PHE A 10 109.275 3.076 4.318 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.191 1.764 4.596 1.00 0.00 H new ATOM 154 N PRO A 11 111.806 3.703 10.664 1.00 0.00 N ATOM 155 CA PRO A 11 112.919 4.189 11.497 1.00 0.00 C ATOM 156 C PRO A 11 113.167 5.675 11.224 1.00 0.00 C ATOM 157 O PRO A 11 112.904 6.169 10.146 1.00 0.00 O ATOM 158 CB PRO A 11 114.105 3.331 11.049 1.00 0.00 C ATOM 159 CG PRO A 11 113.758 2.814 9.632 1.00 0.00 C ATOM 160 CD PRO A 11 112.228 2.913 9.489 1.00 0.00 C ATOM 0 HA PRO A 11 112.732 4.106 12.568 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.025 3.916 11.035 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.266 2.501 11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.258 3.411 8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.093 1.785 9.502 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.946 3.403 8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.764 1.927 9.484 1.00 0.00 H new ATOM 168 N SER A 12 113.658 6.395 12.195 1.00 0.00 N ATOM 169 CA SER A 12 113.905 7.851 11.994 1.00 0.00 C ATOM 170 C SER A 12 114.985 8.057 10.930 1.00 0.00 C ATOM 171 O SER A 12 114.945 9.003 10.168 1.00 0.00 O ATOM 172 CB SER A 12 114.359 8.475 13.313 1.00 0.00 C ATOM 173 OG SER A 12 115.206 9.583 13.041 1.00 0.00 O ATOM 0 H SER A 12 113.899 6.038 13.120 1.00 0.00 H new ATOM 0 HA SER A 12 112.984 8.329 11.661 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.494 8.797 13.893 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.889 7.737 13.915 1.00 0.00 H new ATOM 0 HG SER A 12 115.498 9.987 13.885 1.00 0.00 H new ATOM 179 N GLU A 13 115.950 7.181 10.868 1.00 0.00 N ATOM 180 CA GLU A 13 117.030 7.335 9.851 1.00 0.00 C ATOM 181 C GLU A 13 116.433 7.245 8.445 1.00 0.00 C ATOM 182 O GLU A 13 117.085 7.540 7.463 1.00 0.00 O ATOM 183 CB GLU A 13 118.069 6.228 10.033 1.00 0.00 C ATOM 184 CG GLU A 13 119.409 6.688 9.454 1.00 0.00 C ATOM 185 CD GLU A 13 120.464 6.707 10.562 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.170 7.229 11.624 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.548 6.200 10.328 1.00 0.00 O ATOM 0 H GLU A 13 116.038 6.367 11.476 1.00 0.00 H new ATOM 0 HA GLU A 13 117.507 8.307 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 13 118.180 5.989 11.091 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.738 5.318 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.720 6.018 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.307 7.682 9.017 1.00 0.00 H new ATOM 194 N LEU A 14 115.198 6.837 8.338 1.00 0.00 N ATOM 195 CA LEU A 14 114.562 6.726 6.997 1.00 0.00 C ATOM 196 C LEU A 14 113.358 7.667 6.926 1.00 0.00 C ATOM 197 O LEU A 14 112.845 7.954 5.863 1.00 0.00 O ATOM 198 CB LEU A 14 114.098 5.287 6.777 1.00 0.00 C ATOM 199 CG LEU A 14 114.539 4.807 5.394 1.00 0.00 C ATOM 200 CD1 LEU A 14 116.039 5.054 5.218 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.247 3.310 5.263 1.00 0.00 C ATOM 0 H LEU A 14 114.602 6.576 9.123 1.00 0.00 H new ATOM 0 HA LEU A 14 115.282 7.000 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.516 4.639 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.013 5.228 6.864 1.00 0.00 H new ATOM 0 HG LEU A 14 113.993 5.355 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.351 4.711 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.246 6.120 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.590 4.507 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.560 2.963 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.795 2.764 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.178 3.136 5.386 1.00 0.00 H new ATOM 213 N LEU A 15 112.904 8.152 8.049 1.00 0.00 N ATOM 214 CA LEU A 15 111.736 9.076 8.036 1.00 0.00 C ATOM 215 C LEU A 15 112.178 10.448 7.520 1.00 0.00 C ATOM 216 O LEU A 15 111.375 11.339 7.333 1.00 0.00 O ATOM 217 CB LEU A 15 111.177 9.220 9.454 1.00 0.00 C ATOM 218 CG LEU A 15 110.575 7.888 9.906 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.644 7.789 11.431 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.113 7.810 9.459 1.00 0.00 C ATOM 0 H LEU A 15 113.290 7.949 8.971 1.00 0.00 H new ATOM 0 HA LEU A 15 110.963 8.672 7.383 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.969 9.524 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.417 10.001 9.479 1.00 0.00 H new ATOM 0 HG LEU A 15 111.137 7.067 9.461 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.215 6.840 11.754 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.684 7.845 11.753 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.082 8.611 11.875 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.684 6.861 9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.552 8.631 9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.060 7.882 8.373 1.00 0.00 H new ATOM 232 N SER A 16 113.452 10.622 7.286 1.00 0.00 N ATOM 233 CA SER A 16 113.943 11.934 6.782 1.00 0.00 C ATOM 234 C SER A 16 113.168 12.317 5.519 1.00 0.00 C ATOM 235 O SER A 16 113.106 13.472 5.145 1.00 0.00 O ATOM 236 CB SER A 16 115.433 11.827 6.454 1.00 0.00 C ATOM 237 OG SER A 16 116.167 11.635 7.656 1.00 0.00 O ATOM 0 H SER A 16 114.172 9.912 7.422 1.00 0.00 H new ATOM 0 HA SER A 16 113.793 12.697 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.608 10.996 5.771 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.771 12.731 5.948 1.00 0.00 H new ATOM 0 HG SER A 16 117.122 11.564 7.448 1.00 0.00 H new ATOM 243 N PHE A 17 112.574 11.359 4.861 1.00 0.00 N ATOM 244 CA PHE A 17 111.802 11.676 3.626 1.00 0.00 C ATOM 245 C PHE A 17 110.592 10.745 3.519 1.00 0.00 C ATOM 246 O PHE A 17 110.626 9.741 2.833 1.00 0.00 O ATOM 247 CB PHE A 17 112.693 11.498 2.392 1.00 0.00 C ATOM 248 CG PHE A 17 113.769 10.470 2.665 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.455 9.272 3.319 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.085 10.717 2.255 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.455 8.324 3.561 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.084 9.769 2.494 1.00 0.00 C ATOM 253 CZ PHE A 17 115.770 8.572 3.148 1.00 0.00 C ATOM 0 H PHE A 17 112.590 10.374 5.124 1.00 0.00 H new ATOM 0 HA PHE A 17 111.461 12.710 3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.089 11.184 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.150 12.451 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.441 9.080 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.329 11.642 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.213 7.401 4.066 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.098 9.960 2.174 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.542 7.840 3.334 1.00 0.00 H new ATOM 263 N LEU A 18 109.520 11.073 4.186 1.00 0.00 N ATOM 264 CA LEU A 18 108.307 10.211 4.118 1.00 0.00 C ATOM 265 C LEU A 18 107.056 11.093 4.134 1.00 0.00 C ATOM 266 O LEU A 18 107.112 12.259 4.474 1.00 0.00 O ATOM 267 CB LEU A 18 108.282 9.266 5.322 1.00 0.00 C ATOM 268 CG LEU A 18 108.769 7.881 4.892 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.781 6.946 6.103 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.826 7.319 3.825 1.00 0.00 C ATOM 0 H LEU A 18 109.432 11.901 4.775 1.00 0.00 H new ATOM 0 HA LEU A 18 108.328 9.625 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.917 9.656 6.117 1.00 0.00 H new ATOM 0 HB3 LEU A 18 107.271 9.199 5.725 1.00 0.00 H new ATOM 0 HG LEU A 18 109.776 7.960 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 18 109.128 5.959 5.797 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.450 7.346 6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.773 6.866 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 18 108.172 6.332 3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.819 7.240 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.815 7.985 2.962 1.00 0.00 H new ATOM 282 N SER A 19 105.928 10.549 3.767 1.00 0.00 N ATOM 283 CA SER A 19 104.678 11.361 3.760 1.00 0.00 C ATOM 284 C SER A 19 104.079 11.393 5.168 1.00 0.00 C ATOM 285 O SER A 19 103.332 12.286 5.514 1.00 0.00 O ATOM 286 CB SER A 19 103.669 10.742 2.793 1.00 0.00 C ATOM 287 OG SER A 19 104.169 9.496 2.323 1.00 0.00 O ATOM 0 H SER A 19 105.818 9.579 3.472 1.00 0.00 H new ATOM 0 HA SER A 19 104.911 12.377 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 19 102.711 10.597 3.293 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.492 11.415 1.954 1.00 0.00 H new ATOM 0 HG SER A 19 104.873 9.655 1.660 1.00 0.00 H new ATOM 293 N HIS A 20 104.397 10.424 5.983 1.00 0.00 N ATOM 294 CA HIS A 20 103.842 10.402 7.364 1.00 0.00 C ATOM 295 C HIS A 20 102.314 10.359 7.296 1.00 0.00 C ATOM 296 O HIS A 20 101.631 10.614 8.268 1.00 0.00 O ATOM 297 CB HIS A 20 104.283 11.661 8.113 1.00 0.00 C ATOM 298 CG HIS A 20 105.778 11.800 8.023 1.00 0.00 C ATOM 299 ND1 HIS A 20 106.629 10.713 8.133 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.588 12.892 7.833 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.889 11.169 8.009 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.920 12.491 7.825 1.00 0.00 N ATOM 0 H HIS A 20 105.017 9.648 5.751 1.00 0.00 H new ATOM 0 HA HIS A 20 104.209 9.521 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.799 12.539 7.686 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.975 11.603 9.157 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.243 13.908 7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 20 108.768 10.542 8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.744 13.080 7.704 1.00 0.00 H new ATOM 310 N ALA A 21 101.773 10.038 6.153 1.00 0.00 N ATOM 311 CA ALA A 21 100.291 9.978 6.019 1.00 0.00 C ATOM 312 C ALA A 21 99.913 8.835 5.077 1.00 0.00 C ATOM 313 O ALA A 21 100.327 8.795 3.935 1.00 0.00 O ATOM 314 CB ALA A 21 99.776 11.300 5.447 1.00 0.00 C ATOM 0 H ALA A 21 102.294 9.814 5.305 1.00 0.00 H new ATOM 0 HA ALA A 21 99.844 9.807 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.691 11.256 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 21 100.047 12.116 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 21 100.222 11.471 4.467 1.00 0.00 H new ATOM 320 N VAL A 22 99.131 7.901 5.545 1.00 0.00 N ATOM 321 CA VAL A 22 98.729 6.761 4.674 1.00 0.00 C ATOM 322 C VAL A 22 97.401 7.086 3.992 1.00 0.00 C ATOM 323 O VAL A 22 96.775 6.233 3.396 1.00 0.00 O ATOM 324 CB VAL A 22 98.567 5.497 5.522 1.00 0.00 C ATOM 325 CG1 VAL A 22 98.856 4.266 4.662 1.00 0.00 C ATOM 326 CG2 VAL A 22 99.548 5.538 6.696 1.00 0.00 C ATOM 0 H VAL A 22 98.753 7.878 6.492 1.00 0.00 H new ATOM 0 HA VAL A 22 99.498 6.595 3.919 1.00 0.00 H new ATOM 0 HB VAL A 22 97.547 5.445 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 22 98.741 3.366 5.265 1.00 0.00 H new ATOM 0 HG12 VAL A 22 98.158 4.234 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 22 99.876 4.320 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 22 99.432 4.637 7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 22 100.568 5.591 6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 22 99.344 6.415 7.310 1.00 0.00 H new ATOM 336 N PHE A 23 96.964 8.313 4.075 1.00 0.00 N ATOM 337 CA PHE A 23 95.672 8.689 3.431 1.00 0.00 C ATOM 338 C PHE A 23 95.928 9.766 2.376 1.00 0.00 C ATOM 339 O PHE A 23 95.901 9.506 1.190 1.00 0.00 O ATOM 340 CB PHE A 23 94.694 9.232 4.484 1.00 0.00 C ATOM 341 CG PHE A 23 95.112 8.785 5.868 1.00 0.00 C ATOM 342 CD1 PHE A 23 95.457 7.447 6.098 1.00 0.00 C ATOM 343 CD2 PHE A 23 95.156 9.710 6.918 1.00 0.00 C ATOM 344 CE1 PHE A 23 95.846 7.036 7.378 1.00 0.00 C ATOM 345 CE2 PHE A 23 95.545 9.298 8.198 1.00 0.00 C ATOM 346 CZ PHE A 23 95.891 7.962 8.428 1.00 0.00 C ATOM 0 H PHE A 23 97.444 9.071 4.560 1.00 0.00 H new ATOM 0 HA PHE A 23 95.237 7.806 2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 23 94.667 10.321 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 23 93.685 8.879 4.270 1.00 0.00 H new ATOM 0 HD1 PHE A 23 95.423 6.733 5.288 1.00 0.00 H new ATOM 0 HD2 PHE A 23 94.890 10.742 6.740 1.00 0.00 H new ATOM 0 HE1 PHE A 23 96.112 6.004 7.556 1.00 0.00 H new ATOM 0 HE2 PHE A 23 95.578 10.011 9.008 1.00 0.00 H new ATOM 0 HZ PHE A 23 96.193 7.645 9.415 1.00 0.00 H new ATOM 356 N SER A 24 96.177 10.976 2.800 1.00 0.00 N ATOM 357 CA SER A 24 96.434 12.072 1.823 1.00 0.00 C ATOM 358 C SER A 24 95.248 12.189 0.864 1.00 0.00 C ATOM 359 O SER A 24 94.462 11.274 0.719 1.00 0.00 O ATOM 360 CB SER A 24 97.705 11.763 1.031 1.00 0.00 C ATOM 361 OG SER A 24 98.269 12.978 0.556 1.00 0.00 O ATOM 0 H SER A 24 96.213 11.252 3.781 1.00 0.00 H new ATOM 0 HA SER A 24 96.561 13.013 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 24 98.422 11.238 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.475 11.104 0.194 1.00 0.00 H new ATOM 0 HG SER A 24 99.085 12.784 0.049 1.00 0.00 H new ATOM 367 N ASN A 25 95.113 13.306 0.206 1.00 0.00 N ATOM 368 CA ASN A 25 93.978 13.477 -0.744 1.00 0.00 C ATOM 369 C ASN A 25 94.494 13.332 -2.177 1.00 0.00 C ATOM 370 O ASN A 25 93.735 13.123 -3.102 1.00 0.00 O ATOM 371 CB ASN A 25 93.360 14.864 -0.560 1.00 0.00 C ATOM 372 CG ASN A 25 92.060 14.953 -1.362 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.027 14.607 -2.526 1.00 0.00 O ATOM 374 ND2 ASN A 25 90.979 15.403 -0.784 1.00 0.00 N ATOM 0 H ASN A 25 95.739 14.108 0.284 1.00 0.00 H new ATOM 0 HA ASN A 25 93.221 12.717 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 25 93.162 15.049 0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.058 15.632 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 25 90.107 15.464 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.006 15.694 0.193 1.00 0.00 H new ATOM 381 N ARG A 26 95.780 13.440 -2.366 1.00 0.00 N ATOM 382 CA ARG A 26 96.346 13.308 -3.737 1.00 0.00 C ATOM 383 C ARG A 26 96.623 11.832 -4.035 1.00 0.00 C ATOM 384 O ARG A 26 96.294 10.960 -3.255 1.00 0.00 O ATOM 385 CB ARG A 26 97.653 14.098 -3.828 1.00 0.00 C ATOM 386 CG ARG A 26 97.395 15.435 -4.525 1.00 0.00 C ATOM 387 CD ARG A 26 98.081 16.558 -3.746 1.00 0.00 C ATOM 388 NE ARG A 26 97.310 17.823 -3.913 1.00 0.00 N ATOM 389 CZ ARG A 26 96.920 18.493 -2.864 1.00 0.00 C ATOM 390 NH1 ARG A 26 96.360 17.870 -1.864 1.00 0.00 N ATOM 391 NH2 ARG A 26 97.089 19.785 -2.816 1.00 0.00 N ATOM 0 H ARG A 26 96.464 13.614 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 26 95.633 13.699 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.057 14.268 -2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.398 13.526 -4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 26 97.773 15.403 -5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 26 96.323 15.624 -4.588 1.00 0.00 H new ATOM 0 HD2 ARG A 26 98.145 16.296 -2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 26 99.102 16.692 -4.104 1.00 0.00 H new ATOM 0 HE ARG A 26 97.087 18.165 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 26 96.227 16.859 -1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 26 96.055 18.393 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 26 97.526 20.272 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 26 96.784 20.309 -1.996 1.00 0.00 H new ATOM 405 N THR A 27 97.227 11.547 -5.156 1.00 0.00 N ATOM 406 CA THR A 27 97.524 10.128 -5.501 1.00 0.00 C ATOM 407 C THR A 27 99.039 9.911 -5.502 1.00 0.00 C ATOM 408 O THR A 27 99.785 10.674 -6.083 1.00 0.00 O ATOM 409 CB THR A 27 96.963 9.812 -6.889 1.00 0.00 C ATOM 410 OG1 THR A 27 96.860 11.013 -7.640 1.00 0.00 O ATOM 411 CG2 THR A 27 95.581 9.174 -6.747 1.00 0.00 C ATOM 0 H THR A 27 97.527 12.234 -5.847 1.00 0.00 H new ATOM 0 HA THR A 27 97.062 9.470 -4.764 1.00 0.00 H new ATOM 0 HB THR A 27 97.629 9.119 -7.403 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.502 10.813 -8.530 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.181 8.949 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.663 8.253 -6.170 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.912 9.865 -6.234 1.00 0.00 H new ATOM 419 N LEU A 28 99.500 8.877 -4.854 1.00 0.00 N ATOM 420 CA LEU A 28 100.965 8.612 -4.818 1.00 0.00 C ATOM 421 C LEU A 28 101.277 7.353 -5.630 1.00 0.00 C ATOM 422 O LEU A 28 100.636 6.332 -5.479 1.00 0.00 O ATOM 423 CB LEU A 28 101.411 8.405 -3.369 1.00 0.00 C ATOM 424 CG LEU A 28 102.667 9.232 -3.097 1.00 0.00 C ATOM 425 CD1 LEU A 28 102.350 10.717 -3.279 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.139 8.985 -1.661 1.00 0.00 C ATOM 0 H LEU A 28 98.925 8.204 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 28 101.497 9.462 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.614 8.700 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.612 7.349 -3.187 1.00 0.00 H new ATOM 0 HG LEU A 28 103.452 8.940 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 28 103.246 11.307 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 28 102.013 10.895 -4.300 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.565 11.010 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 28 104.035 9.574 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.353 9.278 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.365 7.927 -1.529 1.00 0.00 H new ATOM 438 N ALA A 29 102.256 7.417 -6.490 1.00 0.00 N ATOM 439 CA ALA A 29 102.607 6.223 -7.309 1.00 0.00 C ATOM 440 C ALA A 29 103.783 5.483 -6.653 1.00 0.00 C ATOM 441 O ALA A 29 104.147 4.396 -7.057 1.00 0.00 O ATOM 442 CB ALA A 29 103.012 6.672 -8.715 1.00 0.00 C ATOM 0 H ALA A 29 102.828 8.244 -6.661 1.00 0.00 H new ATOM 0 HA ALA A 29 101.746 5.558 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 29 103.269 5.800 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 102.181 7.201 -9.181 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.875 7.335 -8.651 1.00 0.00 H new ATOM 448 N CYS A 30 104.375 6.065 -5.640 1.00 0.00 N ATOM 449 CA CYS A 30 105.520 5.393 -4.953 1.00 0.00 C ATOM 450 C CYS A 30 105.039 4.825 -3.617 1.00 0.00 C ATOM 451 O CYS A 30 104.504 5.535 -2.787 1.00 0.00 O ATOM 452 CB CYS A 30 106.638 6.401 -4.701 1.00 0.00 C ATOM 453 SG CYS A 30 107.960 5.594 -3.764 1.00 0.00 S ATOM 0 H CYS A 30 104.115 6.975 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 30 105.899 4.589 -5.584 1.00 0.00 H new ATOM 0 HB2 CYS A 30 107.024 6.779 -5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 30 106.254 7.258 -4.148 1.00 0.00 H new ATOM 0 HG CYS A 30 107.738 4.314 -3.715 1.00 0.00 H new ATOM 459 N PHE A 31 105.199 3.547 -3.412 1.00 0.00 N ATOM 460 CA PHE A 31 104.720 2.938 -2.146 1.00 0.00 C ATOM 461 C PHE A 31 105.878 2.230 -1.437 1.00 0.00 C ATOM 462 O PHE A 31 106.474 1.312 -1.966 1.00 0.00 O ATOM 463 CB PHE A 31 103.632 1.908 -2.467 1.00 0.00 C ATOM 464 CG PHE A 31 102.487 2.545 -3.236 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.726 3.253 -4.421 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.176 2.416 -2.769 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.671 3.822 -5.129 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.122 2.991 -3.484 1.00 0.00 C ATOM 469 CZ PHE A 31 100.370 3.696 -4.662 1.00 0.00 C ATOM 0 H PHE A 31 105.640 2.901 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 31 104.322 3.720 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.059 1.094 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.255 1.472 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.736 3.358 -4.788 1.00 0.00 H new ATOM 0 HD2 PHE A 31 100.978 1.873 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.865 4.363 -6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.109 2.889 -3.122 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.552 4.142 -5.209 1.00 0.00 H new ATOM 479 N ALA A 32 106.191 2.640 -0.238 1.00 0.00 N ATOM 480 CA ALA A 32 107.297 1.978 0.508 1.00 0.00 C ATOM 481 C ALA A 32 106.700 1.131 1.632 1.00 0.00 C ATOM 482 O ALA A 32 106.335 1.635 2.677 1.00 0.00 O ATOM 483 CB ALA A 32 108.228 3.037 1.102 1.00 0.00 C ATOM 0 H ALA A 32 105.729 3.404 0.256 1.00 0.00 H new ATOM 0 HA ALA A 32 107.868 1.344 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 109.035 2.547 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.647 3.644 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.665 3.675 1.783 1.00 0.00 H new ATOM 489 N ILE A 33 106.587 -0.151 1.425 1.00 0.00 N ATOM 490 CA ILE A 33 106.004 -1.026 2.480 1.00 0.00 C ATOM 491 C ILE A 33 107.123 -1.555 3.380 1.00 0.00 C ATOM 492 O ILE A 33 108.073 -2.157 2.920 1.00 0.00 O ATOM 493 CB ILE A 33 105.271 -2.198 1.824 1.00 0.00 C ATOM 494 CG1 ILE A 33 103.966 -1.692 1.206 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.953 -3.261 2.877 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.418 -2.739 0.234 1.00 0.00 C ATOM 0 H ILE A 33 106.873 -0.631 0.571 1.00 0.00 H new ATOM 0 HA ILE A 33 105.299 -0.452 3.081 1.00 0.00 H new ATOM 0 HB ILE A 33 105.902 -2.634 1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.235 -1.491 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 33 104.140 -0.752 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.431 -4.094 2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.880 -3.619 3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.321 -2.828 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 33 102.488 -2.377 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.147 -2.918 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.228 -3.669 0.770 1.00 0.00 H new ATOM 508 N TYR A 34 107.011 -1.341 4.661 1.00 0.00 N ATOM 509 CA TYR A 34 108.059 -1.834 5.598 1.00 0.00 C ATOM 510 C TYR A 34 107.445 -2.899 6.501 1.00 0.00 C ATOM 511 O TYR A 34 106.448 -2.667 7.154 1.00 0.00 O ATOM 512 CB TYR A 34 108.576 -0.670 6.451 1.00 0.00 C ATOM 513 CG TYR A 34 109.324 -1.207 7.653 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.199 -2.289 7.509 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.140 -0.619 8.912 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.890 -2.783 8.619 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.833 -1.114 10.023 1.00 0.00 C ATOM 518 CZ TYR A 34 110.709 -2.195 9.877 1.00 0.00 C ATOM 519 OH TYR A 34 111.393 -2.683 10.971 1.00 0.00 O ATOM 0 H TYR A 34 106.236 -0.844 5.101 1.00 0.00 H new ATOM 0 HA TYR A 34 108.891 -2.258 5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.233 -0.035 5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.742 -0.048 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.341 -2.743 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.464 0.216 9.025 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.564 -3.619 8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.691 -0.661 10.993 1.00 0.00 H new ATOM 0 HH TYR A 34 111.829 -1.942 11.441 1.00 0.00 H new ATOM 529 N THR A 35 108.026 -4.064 6.552 1.00 0.00 N ATOM 530 CA THR A 35 107.450 -5.123 7.427 1.00 0.00 C ATOM 531 C THR A 35 108.315 -6.386 7.370 1.00 0.00 C ATOM 532 O THR A 35 109.314 -6.444 6.679 1.00 0.00 O ATOM 533 CB THR A 35 106.013 -5.455 6.985 1.00 0.00 C ATOM 534 OG1 THR A 35 105.824 -6.863 7.004 1.00 0.00 O ATOM 535 CG2 THR A 35 105.748 -4.925 5.571 1.00 0.00 C ATOM 0 H THR A 35 108.864 -4.328 6.033 1.00 0.00 H new ATOM 0 HA THR A 35 107.430 -4.753 8.452 1.00 0.00 H new ATOM 0 HB THR A 35 105.317 -4.978 7.675 1.00 0.00 H new ATOM 0 HG1 THR A 35 105.440 -7.130 7.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.727 -5.169 5.276 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.881 -3.843 5.557 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.447 -5.385 4.873 1.00 0.00 H new ATOM 543 N THR A 36 107.933 -7.393 8.106 1.00 0.00 N ATOM 544 CA THR A 36 108.717 -8.662 8.122 1.00 0.00 C ATOM 545 C THR A 36 109.174 -9.015 6.704 1.00 0.00 C ATOM 546 O THR A 36 108.523 -8.690 5.727 1.00 0.00 O ATOM 547 CB THR A 36 107.839 -9.793 8.662 1.00 0.00 C ATOM 548 OG1 THR A 36 106.490 -9.566 8.279 1.00 0.00 O ATOM 549 CG2 THR A 36 107.936 -9.840 10.187 1.00 0.00 C ATOM 0 H THR A 36 107.105 -7.392 8.702 1.00 0.00 H new ATOM 0 HA THR A 36 109.591 -8.532 8.760 1.00 0.00 H new ATOM 0 HB THR A 36 108.181 -10.743 8.252 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.030 -10.425 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.309 -10.647 10.567 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.971 -10.016 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.597 -8.891 10.603 1.00 0.00 H new ATOM 557 N LYS A 37 110.286 -9.687 6.589 1.00 0.00 N ATOM 558 CA LYS A 37 110.791 -10.076 5.249 1.00 0.00 C ATOM 559 C LYS A 37 109.803 -11.048 4.604 1.00 0.00 C ATOM 560 O LYS A 37 109.504 -10.954 3.431 1.00 0.00 O ATOM 561 CB LYS A 37 112.148 -10.758 5.406 1.00 0.00 C ATOM 562 CG LYS A 37 111.969 -12.096 6.124 1.00 0.00 C ATOM 563 CD LYS A 37 113.340 -12.730 6.370 1.00 0.00 C ATOM 564 CE LYS A 37 113.331 -14.177 5.875 1.00 0.00 C ATOM 565 NZ LYS A 37 114.632 -14.823 6.207 1.00 0.00 N ATOM 0 H LYS A 37 110.868 -9.984 7.373 1.00 0.00 H new ATOM 0 HA LYS A 37 110.896 -9.192 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.602 -10.916 4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 37 112.825 -10.118 5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.450 -11.946 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.350 -12.763 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.113 -12.162 5.852 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.581 -12.700 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 37 112.511 -14.726 6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 37 113.164 -14.203 4.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 114.627 -15.807 5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.405 -14.303 5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.773 -14.810 7.237 1.00 0.00 H new ATOM 579 N GLU A 38 109.294 -11.980 5.361 1.00 0.00 N ATOM 580 CA GLU A 38 108.328 -12.955 4.795 1.00 0.00 C ATOM 581 C GLU A 38 107.149 -12.201 4.176 1.00 0.00 C ATOM 582 O GLU A 38 106.411 -12.735 3.374 1.00 0.00 O ATOM 583 CB GLU A 38 107.819 -13.873 5.907 1.00 0.00 C ATOM 584 CG GLU A 38 106.933 -14.965 5.304 1.00 0.00 C ATOM 585 CD GLU A 38 107.810 -16.013 4.618 1.00 0.00 C ATOM 586 OE1 GLU A 38 108.958 -16.143 5.008 1.00 0.00 O ATOM 587 OE2 GLU A 38 107.317 -16.669 3.714 1.00 0.00 O ATOM 0 H GLU A 38 109.508 -12.107 6.350 1.00 0.00 H new ATOM 0 HA GLU A 38 108.821 -13.553 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.660 -14.323 6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.255 -13.296 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 38 106.332 -15.433 6.084 1.00 0.00 H new ATOM 0 HG3 GLU A 38 106.239 -14.529 4.585 1.00 0.00 H new ATOM 594 N LYS A 39 106.964 -10.963 4.548 1.00 0.00 N ATOM 595 CA LYS A 39 105.830 -10.178 3.986 1.00 0.00 C ATOM 596 C LYS A 39 106.250 -9.542 2.661 1.00 0.00 C ATOM 597 O LYS A 39 105.670 -9.805 1.628 1.00 0.00 O ATOM 598 CB LYS A 39 105.433 -9.076 4.968 1.00 0.00 C ATOM 599 CG LYS A 39 103.959 -8.721 4.768 1.00 0.00 C ATOM 600 CD LYS A 39 103.376 -8.189 6.080 1.00 0.00 C ATOM 601 CE LYS A 39 103.610 -9.210 7.194 1.00 0.00 C ATOM 602 NZ LYS A 39 102.434 -9.229 8.107 1.00 0.00 N ATOM 0 H LYS A 39 107.549 -10.462 5.217 1.00 0.00 H new ATOM 0 HA LYS A 39 104.983 -10.843 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 39 105.602 -9.409 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 39 106.055 -8.194 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.858 -7.971 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.404 -9.600 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.843 -7.239 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 102.309 -7.998 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.768 -10.200 6.767 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.512 -8.956 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 102.752 -9.416 9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 101.952 -8.308 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 101.775 -9.976 7.809 1.00 0.00 H new ATOM 616 N ALA A 40 107.248 -8.701 2.680 1.00 0.00 N ATOM 617 CA ALA A 40 107.691 -8.049 1.413 1.00 0.00 C ATOM 618 C ALA A 40 108.115 -9.120 0.406 1.00 0.00 C ATOM 619 O ALA A 40 108.212 -8.867 -0.778 1.00 0.00 O ATOM 620 CB ALA A 40 108.877 -7.126 1.696 1.00 0.00 C ATOM 0 H ALA A 40 107.774 -8.438 3.513 1.00 0.00 H new ATOM 0 HA ALA A 40 106.866 -7.467 1.003 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.198 -6.651 0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.579 -6.360 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.700 -7.708 2.110 1.00 0.00 H new ATOM 626 N ALA A 41 108.367 -10.314 0.865 1.00 0.00 N ATOM 627 CA ALA A 41 108.783 -11.396 -0.069 1.00 0.00 C ATOM 628 C ALA A 41 107.562 -11.891 -0.838 1.00 0.00 C ATOM 629 O ALA A 41 107.638 -12.205 -2.009 1.00 0.00 O ATOM 630 CB ALA A 41 109.393 -12.553 0.725 1.00 0.00 C ATOM 0 H ALA A 41 108.303 -10.587 1.846 1.00 0.00 H new ATOM 0 HA ALA A 41 109.525 -11.011 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.697 -13.344 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.263 -12.197 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.654 -12.943 1.425 1.00 0.00 H new ATOM 636 N LEU A 42 106.434 -11.961 -0.189 1.00 0.00 N ATOM 637 CA LEU A 42 105.205 -12.431 -0.884 1.00 0.00 C ATOM 638 C LEU A 42 104.537 -11.242 -1.583 1.00 0.00 C ATOM 639 O LEU A 42 103.745 -11.408 -2.489 1.00 0.00 O ATOM 640 CB LEU A 42 104.246 -13.068 0.139 1.00 0.00 C ATOM 641 CG LEU A 42 103.306 -12.012 0.733 1.00 0.00 C ATOM 642 CD1 LEU A 42 102.005 -11.982 -0.069 1.00 0.00 C ATOM 643 CD2 LEU A 42 102.997 -12.364 2.190 1.00 0.00 C ATOM 0 H LEU A 42 106.310 -11.713 0.793 1.00 0.00 H new ATOM 0 HA LEU A 42 105.463 -13.182 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 42 103.662 -13.852 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 42 104.819 -13.541 0.936 1.00 0.00 H new ATOM 0 HG LEU A 42 103.785 -11.034 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 42 101.335 -11.232 0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 42 102.223 -11.732 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 42 101.527 -12.961 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 42 102.329 -11.613 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.518 -13.342 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 42 103.924 -12.388 2.763 1.00 0.00 H new ATOM 655 N LEU A 43 104.852 -10.045 -1.167 1.00 0.00 N ATOM 656 CA LEU A 43 104.230 -8.855 -1.808 1.00 0.00 C ATOM 657 C LEU A 43 105.093 -8.396 -2.991 1.00 0.00 C ATOM 658 O LEU A 43 104.646 -7.660 -3.851 1.00 0.00 O ATOM 659 CB LEU A 43 104.100 -7.720 -0.792 1.00 0.00 C ATOM 660 CG LEU A 43 103.287 -8.214 0.406 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.886 -7.028 1.281 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.027 -8.931 -0.097 1.00 0.00 C ATOM 0 H LEU A 43 105.510 -9.842 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 43 103.237 -9.123 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.087 -7.391 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.612 -6.860 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 43 103.891 -8.905 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.307 -7.384 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.782 -6.520 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.283 -6.333 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.445 -9.284 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.425 -8.239 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.315 -9.780 -0.717 1.00 0.00 H new ATOM 674 N TYR A 44 106.321 -8.833 -3.044 1.00 0.00 N ATOM 675 CA TYR A 44 107.215 -8.434 -4.169 1.00 0.00 C ATOM 676 C TYR A 44 106.577 -8.852 -5.503 1.00 0.00 C ATOM 677 O TYR A 44 106.065 -8.036 -6.244 1.00 0.00 O ATOM 678 CB TYR A 44 108.566 -9.131 -3.991 1.00 0.00 C ATOM 679 CG TYR A 44 109.602 -8.530 -4.913 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.619 -8.883 -6.266 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.564 -7.645 -4.410 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.591 -8.351 -7.118 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.544 -7.117 -5.261 1.00 0.00 C ATOM 684 CZ TYR A 44 111.556 -7.469 -6.616 1.00 0.00 C ATOM 685 OH TYR A 44 112.520 -6.952 -7.457 1.00 0.00 O ATOM 0 H TYR A 44 106.746 -9.452 -2.354 1.00 0.00 H new ATOM 0 HA TYR A 44 107.358 -7.353 -4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.895 -9.038 -2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.462 -10.196 -4.198 1.00 0.00 H new ATOM 0 HD1 TYR A 44 108.880 -9.568 -6.653 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.550 -7.369 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.598 -8.620 -8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.289 -6.439 -4.872 1.00 0.00 H new ATOM 0 HH TYR A 44 112.800 -6.071 -7.131 1.00 0.00 H new ATOM 695 N LYS A 45 106.586 -10.121 -5.812 1.00 0.00 N ATOM 696 CA LYS A 45 105.972 -10.582 -7.094 1.00 0.00 C ATOM 697 C LYS A 45 104.449 -10.406 -7.040 1.00 0.00 C ATOM 698 O LYS A 45 103.747 -10.682 -7.992 1.00 0.00 O ATOM 699 CB LYS A 45 106.306 -12.058 -7.315 1.00 0.00 C ATOM 700 CG LYS A 45 107.804 -12.204 -7.593 1.00 0.00 C ATOM 701 CD LYS A 45 108.128 -13.668 -7.899 1.00 0.00 C ATOM 702 CE LYS A 45 109.638 -13.831 -8.081 1.00 0.00 C ATOM 703 NZ LYS A 45 110.267 -14.148 -6.768 1.00 0.00 N ATOM 0 H LYS A 45 106.991 -10.858 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 45 106.371 -9.987 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.030 -12.640 -6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.729 -12.451 -8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 45 108.091 -11.574 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.379 -11.866 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.778 -14.306 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.606 -13.986 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.845 -14.627 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 45 110.066 -12.916 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 111.294 -14.259 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 110.081 -13.375 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.866 -15.032 -6.396 1.00 0.00 H new ATOM 717 N LYS A 46 103.936 -9.946 -5.931 1.00 0.00 N ATOM 718 CA LYS A 46 102.472 -9.743 -5.793 1.00 0.00 C ATOM 719 C LYS A 46 102.046 -8.566 -6.669 1.00 0.00 C ATOM 720 O LYS A 46 101.337 -8.719 -7.644 1.00 0.00 O ATOM 721 CB LYS A 46 102.203 -9.466 -4.299 1.00 0.00 C ATOM 722 CG LYS A 46 101.240 -8.284 -4.062 1.00 0.00 C ATOM 723 CD LYS A 46 101.969 -7.107 -3.402 1.00 0.00 C ATOM 724 CE LYS A 46 101.009 -6.388 -2.454 1.00 0.00 C ATOM 725 NZ LYS A 46 101.759 -5.365 -1.673 1.00 0.00 N ATOM 0 H LYS A 46 104.481 -9.700 -5.105 1.00 0.00 H new ATOM 0 HA LYS A 46 101.901 -10.614 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 46 101.787 -10.363 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 46 103.149 -9.261 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.810 -7.964 -5.011 1.00 0.00 H new ATOM 0 HG3 LYS A 46 100.413 -8.605 -3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 46 102.840 -7.465 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 46 102.333 -6.416 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.208 -5.914 -3.021 1.00 0.00 H new ATOM 0 HE3 LYS A 46 100.541 -7.105 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 101.754 -5.624 -0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 102.741 -5.319 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 101.307 -4.436 -1.794 1.00 0.00 H new ATOM 739 N ILE A 47 102.466 -7.394 -6.307 1.00 0.00 N ATOM 740 CA ILE A 47 102.091 -6.186 -7.082 1.00 0.00 C ATOM 741 C ILE A 47 103.035 -6.044 -8.282 1.00 0.00 C ATOM 742 O ILE A 47 102.808 -5.252 -9.173 1.00 0.00 O ATOM 743 CB ILE A 47 102.197 -4.975 -6.159 1.00 0.00 C ATOM 744 CG1 ILE A 47 100.910 -4.852 -5.355 1.00 0.00 C ATOM 745 CG2 ILE A 47 102.399 -3.699 -6.971 1.00 0.00 C ATOM 746 CD1 ILE A 47 101.062 -3.712 -4.352 1.00 0.00 C ATOM 0 H ILE A 47 103.061 -7.218 -5.497 1.00 0.00 H new ATOM 0 HA ILE A 47 101.070 -6.264 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 47 103.051 -5.110 -5.495 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.067 -4.660 -6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.700 -5.786 -4.835 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.472 -2.846 -6.296 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.316 -3.780 -7.554 1.00 0.00 H new ATOM 0 HG23 ILE A 47 101.553 -3.558 -7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 47 100.145 -3.615 -3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 47 101.896 -3.925 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.254 -2.781 -4.886 1.00 0.00 H new ATOM 758 N MET A 48 104.089 -6.812 -8.318 1.00 0.00 N ATOM 759 CA MET A 48 105.032 -6.718 -9.468 1.00 0.00 C ATOM 760 C MET A 48 104.232 -6.676 -10.772 1.00 0.00 C ATOM 761 O MET A 48 104.680 -6.150 -11.771 1.00 0.00 O ATOM 762 CB MET A 48 105.954 -7.939 -9.474 1.00 0.00 C ATOM 763 CG MET A 48 106.946 -7.822 -10.632 1.00 0.00 C ATOM 764 SD MET A 48 107.466 -9.476 -11.152 1.00 0.00 S ATOM 765 CE MET A 48 109.033 -9.517 -10.249 1.00 0.00 C ATOM 0 H MET A 48 104.337 -7.497 -7.605 1.00 0.00 H new ATOM 0 HA MET A 48 105.632 -5.813 -9.377 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.490 -8.008 -8.527 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.366 -8.851 -9.575 1.00 0.00 H new ATOM 0 HG2 MET A 48 106.485 -7.295 -11.467 1.00 0.00 H new ATOM 0 HG3 MET A 48 107.813 -7.237 -10.325 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.549 -10.454 -10.458 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.657 -8.681 -10.565 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.839 -9.441 -9.179 1.00 0.00 H new ATOM 775 N GLU A 49 103.047 -7.226 -10.768 1.00 0.00 N ATOM 776 CA GLU A 49 102.213 -7.220 -12.003 1.00 0.00 C ATOM 777 C GLU A 49 100.925 -6.431 -11.745 1.00 0.00 C ATOM 778 O GLU A 49 100.451 -5.702 -12.595 1.00 0.00 O ATOM 779 CB GLU A 49 101.859 -8.660 -12.383 1.00 0.00 C ATOM 780 CG GLU A 49 101.605 -8.745 -13.889 1.00 0.00 C ATOM 781 CD GLU A 49 100.193 -8.240 -14.198 1.00 0.00 C ATOM 782 OE1 GLU A 49 99.280 -8.626 -13.487 1.00 0.00 O ATOM 783 OE2 GLU A 49 100.051 -7.478 -15.139 1.00 0.00 O ATOM 0 H GLU A 49 102.621 -7.680 -9.960 1.00 0.00 H new ATOM 0 HA GLU A 49 102.769 -6.753 -12.816 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.671 -9.331 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.974 -8.984 -11.836 1.00 0.00 H new ATOM 0 HG2 GLU A 49 102.342 -8.149 -14.427 1.00 0.00 H new ATOM 0 HG3 GLU A 49 101.717 -9.774 -14.230 1.00 0.00 H new ATOM 790 N LYS A 50 100.358 -6.571 -10.578 1.00 0.00 N ATOM 791 CA LYS A 50 99.102 -5.835 -10.258 1.00 0.00 C ATOM 792 C LYS A 50 99.314 -4.335 -10.480 1.00 0.00 C ATOM 793 O LYS A 50 98.372 -3.584 -10.640 1.00 0.00 O ATOM 794 CB LYS A 50 98.721 -6.106 -8.802 1.00 0.00 C ATOM 795 CG LYS A 50 97.443 -5.347 -8.442 1.00 0.00 C ATOM 796 CD LYS A 50 96.314 -6.329 -8.118 1.00 0.00 C ATOM 797 CE LYS A 50 96.765 -7.325 -7.044 1.00 0.00 C ATOM 798 NZ LYS A 50 96.139 -8.652 -7.306 1.00 0.00 N ATOM 0 H LYS A 50 100.712 -7.166 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 50 98.297 -6.175 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 50 98.573 -7.175 -8.650 1.00 0.00 H new ATOM 0 HB3 LYS A 50 99.533 -5.800 -8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 50 97.627 -4.698 -7.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.148 -4.704 -9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 50 95.437 -5.783 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.020 -6.865 -9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 50 97.851 -7.415 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 50 96.480 -6.965 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 96.444 -9.329 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 95.104 -8.559 -7.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 96.432 -8.995 -8.243 1.00 0.00 H new ATOM 812 N TYR A 51 100.542 -3.894 -10.502 1.00 0.00 N ATOM 813 CA TYR A 51 100.810 -2.445 -10.724 1.00 0.00 C ATOM 814 C TYR A 51 102.042 -2.266 -11.608 1.00 0.00 C ATOM 815 O TYR A 51 102.505 -1.164 -11.808 1.00 0.00 O ATOM 816 CB TYR A 51 101.074 -1.755 -9.386 1.00 0.00 C ATOM 817 CG TYR A 51 99.803 -1.692 -8.584 1.00 0.00 C ATOM 818 CD1 TYR A 51 98.942 -0.602 -8.746 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.484 -2.713 -7.674 1.00 0.00 C ATOM 820 CE1 TYR A 51 97.763 -0.523 -8.007 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.300 -2.631 -6.932 1.00 0.00 C ATOM 822 CZ TYR A 51 97.440 -1.536 -7.096 1.00 0.00 C ATOM 823 OH TYR A 51 96.274 -1.460 -6.364 1.00 0.00 O ATOM 0 H TYR A 51 101.371 -4.474 -10.376 1.00 0.00 H new ATOM 0 HA TYR A 51 99.939 -2.005 -11.209 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.838 -2.299 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.458 -0.749 -9.555 1.00 0.00 H new ATOM 0 HD1 TYR A 51 99.192 0.181 -9.446 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.148 -3.556 -7.548 1.00 0.00 H new ATOM 0 HE1 TYR A 51 97.099 0.319 -8.137 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.048 -3.413 -6.231 1.00 0.00 H new ATOM 0 HH TYR A 51 96.202 -2.244 -5.780 1.00 0.00 H new ATOM 833 N SER A 52 102.598 -3.325 -12.128 1.00 0.00 N ATOM 834 CA SER A 52 103.814 -3.163 -12.974 1.00 0.00 C ATOM 835 C SER A 52 104.789 -2.244 -12.234 1.00 0.00 C ATOM 836 O SER A 52 105.269 -1.265 -12.770 1.00 0.00 O ATOM 837 CB SER A 52 103.429 -2.533 -14.314 1.00 0.00 C ATOM 838 OG SER A 52 102.672 -3.468 -15.074 1.00 0.00 O ATOM 0 H SER A 52 102.269 -4.283 -12.007 1.00 0.00 H new ATOM 0 HA SER A 52 104.276 -4.132 -13.162 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.847 -1.626 -14.149 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.325 -2.242 -14.863 1.00 0.00 H new ATOM 0 HG SER A 52 102.423 -3.066 -15.932 1.00 0.00 H new ATOM 844 N VAL A 53 105.054 -2.553 -10.993 1.00 0.00 N ATOM 845 CA VAL A 53 105.971 -1.716 -10.161 1.00 0.00 C ATOM 846 C VAL A 53 107.092 -1.106 -11.005 1.00 0.00 C ATOM 847 O VAL A 53 107.891 -1.806 -11.595 1.00 0.00 O ATOM 848 CB VAL A 53 106.589 -2.587 -9.067 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.489 -3.077 -8.123 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.283 -3.791 -9.708 1.00 0.00 C ATOM 0 H VAL A 53 104.667 -3.365 -10.511 1.00 0.00 H new ATOM 0 HA VAL A 53 105.390 -0.904 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 53 107.317 -2.003 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.929 -3.698 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 53 104.992 -2.220 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.761 -3.662 -8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.724 -4.413 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.554 -4.375 -10.270 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.066 -3.443 -10.382 1.00 0.00 H new ATOM 860 N THR A 54 107.173 0.199 -11.041 1.00 0.00 N ATOM 861 CA THR A 54 108.260 0.857 -11.815 1.00 0.00 C ATOM 862 C THR A 54 109.594 0.353 -11.269 1.00 0.00 C ATOM 863 O THR A 54 110.605 0.350 -11.943 1.00 0.00 O ATOM 864 CB THR A 54 108.175 2.373 -11.633 1.00 0.00 C ATOM 865 OG1 THR A 54 106.827 2.793 -11.794 1.00 0.00 O ATOM 866 CG2 THR A 54 109.055 3.063 -12.676 1.00 0.00 C ATOM 0 H THR A 54 106.532 0.835 -10.567 1.00 0.00 H new ATOM 0 HA THR A 54 108.167 0.624 -12.876 1.00 0.00 H new ATOM 0 HB THR A 54 108.522 2.640 -10.635 1.00 0.00 H new ATOM 0 HG1 THR A 54 106.771 3.764 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 54 108.994 4.144 -12.546 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.089 2.740 -12.551 1.00 0.00 H new ATOM 0 HG23 THR A 54 108.710 2.798 -13.676 1.00 0.00 H new ATOM 874 N PHE A 55 109.584 -0.081 -10.041 1.00 0.00 N ATOM 875 CA PHE A 55 110.818 -0.606 -9.402 1.00 0.00 C ATOM 876 C PHE A 55 110.420 -1.286 -8.095 1.00 0.00 C ATOM 877 O PHE A 55 109.952 -0.645 -7.179 1.00 0.00 O ATOM 878 CB PHE A 55 111.786 0.547 -9.106 1.00 0.00 C ATOM 879 CG PHE A 55 112.844 0.082 -8.128 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.427 -1.182 -8.279 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.238 0.911 -7.070 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.400 -1.614 -7.376 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.212 0.477 -6.162 1.00 0.00 C ATOM 884 CZ PHE A 55 114.794 -0.786 -6.317 1.00 0.00 C ATOM 0 H PHE A 55 108.757 -0.094 -9.444 1.00 0.00 H new ATOM 0 HA PHE A 55 111.313 -1.314 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.254 0.888 -10.029 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.241 1.396 -8.692 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.124 -1.823 -9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.790 1.887 -6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 55 114.850 -2.589 -7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.513 1.115 -5.345 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.547 -1.123 -5.620 1.00 0.00 H new ATOM 894 N ILE A 56 110.594 -2.572 -8.001 1.00 0.00 N ATOM 895 CA ILE A 56 110.216 -3.280 -6.748 1.00 0.00 C ATOM 896 C ILE A 56 111.475 -3.887 -6.131 1.00 0.00 C ATOM 897 O ILE A 56 112.039 -4.827 -6.650 1.00 0.00 O ATOM 898 CB ILE A 56 109.195 -4.370 -7.072 1.00 0.00 C ATOM 899 CG1 ILE A 56 108.871 -5.170 -5.808 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.758 -5.301 -8.145 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.736 -6.144 -6.113 1.00 0.00 C ATOM 0 H ILE A 56 110.981 -3.164 -8.736 1.00 0.00 H new ATOM 0 HA ILE A 56 109.768 -2.586 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 56 108.281 -3.906 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.753 -5.714 -5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.583 -4.497 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.027 -6.077 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.973 -4.728 -9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.676 -5.763 -7.781 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.499 -6.718 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 56 106.855 -5.587 -6.431 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.043 -6.823 -6.909 1.00 0.00 H new ATOM 913 N SER A 57 111.939 -3.340 -5.040 1.00 0.00 N ATOM 914 CA SER A 57 113.185 -3.876 -4.418 1.00 0.00 C ATOM 915 C SER A 57 112.934 -4.306 -2.970 1.00 0.00 C ATOM 916 O SER A 57 111.984 -3.894 -2.336 1.00 0.00 O ATOM 917 CB SER A 57 114.260 -2.788 -4.428 1.00 0.00 C ATOM 918 OG SER A 57 115.078 -2.928 -3.274 1.00 0.00 O ATOM 0 H SER A 57 111.513 -2.550 -4.555 1.00 0.00 H new ATOM 0 HA SER A 57 113.510 -4.744 -4.992 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.867 -2.868 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 57 113.796 -1.802 -4.442 1.00 0.00 H new ATOM 0 HG SER A 57 115.784 -2.249 -3.289 1.00 0.00 H new ATOM 924 N ARG A 58 113.809 -5.120 -2.445 1.00 0.00 N ATOM 925 CA ARG A 58 113.677 -5.581 -1.034 1.00 0.00 C ATOM 926 C ARG A 58 114.988 -5.257 -0.307 1.00 0.00 C ATOM 927 O ARG A 58 116.047 -5.701 -0.705 1.00 0.00 O ATOM 928 CB ARG A 58 113.433 -7.091 -1.009 1.00 0.00 C ATOM 929 CG ARG A 58 112.319 -7.413 -0.012 1.00 0.00 C ATOM 930 CD ARG A 58 111.932 -8.888 -0.140 1.00 0.00 C ATOM 931 NE ARG A 58 113.081 -9.740 0.276 1.00 0.00 N ATOM 932 CZ ARG A 58 112.939 -11.035 0.354 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.248 -11.558 1.331 1.00 0.00 N ATOM 934 NH2 ARG A 58 113.487 -11.807 -0.545 1.00 0.00 N ATOM 0 H ARG A 58 114.620 -5.490 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 58 112.839 -5.083 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 58 113.158 -7.442 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.348 -7.613 -0.729 1.00 0.00 H new ATOM 0 HG2 ARG A 58 112.652 -7.200 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 58 111.452 -6.780 -0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.063 -9.102 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.652 -9.114 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 58 113.979 -9.311 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.819 -10.954 2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.137 -12.570 1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 58 114.026 -11.398 -1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 58 113.376 -12.819 -0.484 1.00 0.00 H new ATOM 948 N HIS A 59 114.940 -4.470 0.733 1.00 0.00 N ATOM 949 CA HIS A 59 116.203 -4.111 1.444 1.00 0.00 C ATOM 950 C HIS A 59 116.177 -4.614 2.889 1.00 0.00 C ATOM 951 O HIS A 59 115.241 -5.250 3.329 1.00 0.00 O ATOM 952 CB HIS A 59 116.359 -2.588 1.457 1.00 0.00 C ATOM 953 CG HIS A 59 116.604 -2.089 0.061 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.875 -1.809 -0.411 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.748 -1.804 -0.973 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.751 -1.376 -1.679 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.475 -1.354 -2.072 1.00 0.00 N ATOM 0 H HIS A 59 114.089 -4.062 1.120 1.00 0.00 H new ATOM 0 HA HIS A 59 117.038 -4.578 0.921 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.461 -2.125 1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.188 -2.304 2.105 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.747 -1.912 0.108 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.674 -1.912 -0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.582 -1.082 -2.303 1.00 0.00 H new ATOM 965 N ASN A 60 117.212 -4.315 3.631 1.00 0.00 N ATOM 966 CA ASN A 60 117.278 -4.744 5.056 1.00 0.00 C ATOM 967 C ASN A 60 117.365 -3.498 5.938 1.00 0.00 C ATOM 968 O ASN A 60 118.059 -2.552 5.621 1.00 0.00 O ATOM 969 CB ASN A 60 118.526 -5.601 5.278 1.00 0.00 C ATOM 970 CG ASN A 60 118.240 -7.048 4.875 1.00 0.00 C ATOM 971 OD1 ASN A 60 117.185 -7.576 5.162 1.00 0.00 O ATOM 972 ND2 ASN A 60 119.147 -7.716 4.218 1.00 0.00 N ATOM 0 H ASN A 60 118.021 -3.787 3.305 1.00 0.00 H new ATOM 0 HA ASN A 60 116.391 -5.325 5.307 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.357 -5.208 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.826 -5.558 6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.970 -8.683 3.945 1.00 0.00 H new ATOM 0 HD22 ASN A 60 120.033 -7.272 3.977 1.00 0.00 H new ATOM 979 N SER A 61 116.671 -3.481 7.041 1.00 0.00 N ATOM 980 CA SER A 61 116.727 -2.285 7.929 1.00 0.00 C ATOM 981 C SER A 61 117.363 -2.667 9.267 1.00 0.00 C ATOM 982 O SER A 61 118.490 -2.309 9.552 1.00 0.00 O ATOM 983 CB SER A 61 115.313 -1.754 8.161 1.00 0.00 C ATOM 984 OG SER A 61 114.392 -2.837 8.137 1.00 0.00 O ATOM 0 H SER A 61 116.070 -4.239 7.366 1.00 0.00 H new ATOM 0 HA SER A 61 117.329 -1.510 7.455 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.259 -1.238 9.119 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.055 -1.026 7.392 1.00 0.00 H new ATOM 0 HG SER A 61 113.487 -2.501 8.307 1.00 0.00 H new ATOM 990 N TYR A 62 116.656 -3.387 10.094 1.00 0.00 N ATOM 991 CA TYR A 62 117.231 -3.784 11.410 1.00 0.00 C ATOM 992 C TYR A 62 116.556 -5.064 11.906 1.00 0.00 C ATOM 993 O TYR A 62 117.203 -5.966 12.399 1.00 0.00 O ATOM 994 CB TYR A 62 117.005 -2.661 12.426 1.00 0.00 C ATOM 995 CG TYR A 62 117.355 -1.333 11.798 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.388 -0.624 11.076 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.646 -0.809 11.938 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.710 0.606 10.495 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.969 0.421 11.356 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.002 1.130 10.634 1.00 0.00 C ATOM 1001 OH TYR A 62 118.320 2.344 10.061 1.00 0.00 O ATOM 0 H TYR A 62 115.707 -3.717 9.916 1.00 0.00 H new ATOM 0 HA TYR A 62 118.300 -3.963 11.295 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.966 -2.657 12.754 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.618 -2.829 13.312 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.392 -1.028 10.968 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.393 -1.355 12.496 1.00 0.00 H new ATOM 0 HE1 TYR A 62 115.963 1.153 9.939 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.965 0.824 11.464 1.00 0.00 H new ATOM 0 HH TYR A 62 117.988 2.368 9.139 1.00 0.00 H new ATOM 1011 N ASN A 63 115.259 -5.151 11.788 1.00 0.00 N ATOM 1012 CA ASN A 63 114.550 -6.375 12.260 1.00 0.00 C ATOM 1013 C ASN A 63 113.747 -6.985 11.110 1.00 0.00 C ATOM 1014 O ASN A 63 113.358 -8.135 11.157 1.00 0.00 O ATOM 1015 CB ASN A 63 113.602 -6.007 13.403 1.00 0.00 C ATOM 1016 CG ASN A 63 114.384 -5.291 14.505 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.086 -5.917 15.274 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.291 -3.994 14.616 1.00 0.00 N ATOM 0 H ASN A 63 114.661 -4.429 11.386 1.00 0.00 H new ATOM 0 HA ASN A 63 115.283 -7.101 12.612 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.803 -5.365 13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.131 -6.905 13.802 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.808 -3.506 15.348 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.702 -3.468 13.971 1.00 0.00 H new ATOM 1025 N HIS A 64 113.491 -6.228 10.079 1.00 0.00 N ATOM 1026 CA HIS A 64 112.710 -6.776 8.935 1.00 0.00 C ATOM 1027 C HIS A 64 113.255 -6.205 7.624 1.00 0.00 C ATOM 1028 O HIS A 64 114.355 -5.691 7.576 1.00 0.00 O ATOM 1029 CB HIS A 64 111.238 -6.403 9.102 1.00 0.00 C ATOM 1030 CG HIS A 64 110.751 -6.924 10.425 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.144 -6.106 11.364 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.783 -8.176 10.984 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.838 -6.869 12.429 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.206 -8.140 12.250 1.00 0.00 N ATOM 0 H HIS A 64 113.788 -5.257 9.979 1.00 0.00 H new ATOM 0 HA HIS A 64 112.802 -7.862 8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.116 -5.321 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.647 -6.826 8.290 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.194 -9.057 10.513 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.354 -6.499 13.320 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.089 -8.917 12.901 1.00 0.00 H new ATOM 1042 N ASN A 65 112.508 -6.301 6.555 1.00 0.00 N ATOM 1043 CA ASN A 65 113.013 -5.775 5.254 1.00 0.00 C ATOM 1044 C ASN A 65 112.121 -4.639 4.744 1.00 0.00 C ATOM 1045 O ASN A 65 111.027 -4.418 5.230 1.00 0.00 O ATOM 1046 CB ASN A 65 113.021 -6.903 4.218 1.00 0.00 C ATOM 1047 CG ASN A 65 113.909 -8.052 4.702 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.806 -7.830 5.621 1.00 0.00 O flip ATOM 1049 ND2 ASN A 65 113.786 -9.166 4.232 1.00 0.00 N flip ATOM 0 H ASN A 65 111.577 -6.718 6.527 1.00 0.00 H new ATOM 0 HA ASN A 65 114.022 -5.392 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.005 -7.262 4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.387 -6.528 3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 65 113.084 -9.341 3.513 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.384 -9.926 4.557 1.00 0.00 H new ATOM 1056 N ILE A 66 112.589 -3.929 3.752 1.00 0.00 N ATOM 1057 CA ILE A 66 111.798 -2.809 3.169 1.00 0.00 C ATOM 1058 C ILE A 66 111.271 -3.245 1.801 1.00 0.00 C ATOM 1059 O ILE A 66 111.773 -4.180 1.208 1.00 0.00 O ATOM 1060 CB ILE A 66 112.708 -1.591 2.998 1.00 0.00 C ATOM 1061 CG1 ILE A 66 113.375 -1.268 4.340 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.888 -0.391 2.515 1.00 0.00 C ATOM 1063 CD1 ILE A 66 112.392 -0.532 5.254 1.00 0.00 C ATOM 0 H ILE A 66 113.499 -4.081 3.316 1.00 0.00 H new ATOM 0 HA ILE A 66 110.966 -2.553 3.824 1.00 0.00 H new ATOM 0 HB ILE A 66 113.476 -1.810 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.710 -2.188 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.260 -0.654 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 66 112.542 0.472 2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.423 -0.629 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.114 -0.161 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 112.877 -0.308 6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.079 0.397 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 66 111.519 -1.161 5.431 1.00 0.00 H new ATOM 1075 N LEU A 67 110.266 -2.587 1.288 1.00 0.00 N ATOM 1076 CA LEU A 67 109.730 -2.993 -0.041 1.00 0.00 C ATOM 1077 C LEU A 67 109.493 -1.759 -0.915 1.00 0.00 C ATOM 1078 O LEU A 67 108.473 -1.106 -0.822 1.00 0.00 O ATOM 1079 CB LEU A 67 108.411 -3.748 0.150 1.00 0.00 C ATOM 1080 CG LEU A 67 107.681 -3.867 -1.192 1.00 0.00 C ATOM 1081 CD1 LEU A 67 108.669 -4.273 -2.288 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.588 -4.929 -1.082 1.00 0.00 C ATOM 0 H LEU A 67 109.798 -1.794 1.727 1.00 0.00 H new ATOM 0 HA LEU A 67 110.455 -3.641 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.605 -4.740 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.783 -3.224 0.871 1.00 0.00 H new ATOM 0 HG LEU A 67 107.237 -2.904 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.143 -4.356 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.451 -3.519 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.117 -5.234 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.067 -5.015 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.037 -5.888 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 67 105.878 -4.642 -0.306 1.00 0.00 H new ATOM 1094 N PHE A 68 110.420 -1.449 -1.779 1.00 0.00 N ATOM 1095 CA PHE A 68 110.243 -0.274 -2.677 1.00 0.00 C ATOM 1096 C PHE A 68 109.333 -0.668 -3.832 1.00 0.00 C ATOM 1097 O PHE A 68 109.809 -0.915 -4.915 1.00 0.00 O ATOM 1098 CB PHE A 68 111.587 0.118 -3.292 1.00 0.00 C ATOM 1099 CG PHE A 68 112.364 1.031 -2.382 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.722 2.032 -1.640 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.749 0.877 -2.300 1.00 0.00 C ATOM 1102 CE1 PHE A 68 112.473 2.873 -0.814 1.00 0.00 C ATOM 1103 CE2 PHE A 68 114.497 1.713 -1.480 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.864 2.715 -0.734 1.00 0.00 C ATOM 0 H PHE A 68 111.294 -1.960 -1.902 1.00 0.00 H new ATOM 0 HA PHE A 68 109.827 0.549 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.171 -0.780 -3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.420 0.612 -4.249 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.651 2.153 -1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 68 114.240 0.106 -2.875 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.982 3.644 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 68 115.568 1.590 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 68 114.446 3.365 -0.098 1.00 0.00 H new ATOM 1114 N PHE A 69 108.045 -0.730 -3.645 1.00 0.00 N ATOM 1115 CA PHE A 69 107.186 -1.110 -4.798 1.00 0.00 C ATOM 1116 C PHE A 69 106.520 0.143 -5.368 1.00 0.00 C ATOM 1117 O PHE A 69 105.585 0.694 -4.813 1.00 0.00 O ATOM 1118 CB PHE A 69 106.165 -2.185 -4.388 1.00 0.00 C ATOM 1119 CG PHE A 69 104.872 -1.588 -3.887 1.00 0.00 C ATOM 1120 CD1 PHE A 69 103.848 -1.259 -4.788 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.678 -1.406 -2.514 1.00 0.00 C ATOM 1122 CE1 PHE A 69 102.635 -0.746 -4.312 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.469 -0.888 -2.041 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.445 -0.561 -2.938 1.00 0.00 C ATOM 0 H PHE A 69 107.560 -0.540 -2.768 1.00 0.00 H new ATOM 0 HA PHE A 69 107.799 -1.552 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 69 105.958 -2.830 -5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 69 106.597 -2.815 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 69 103.995 -1.401 -5.848 1.00 0.00 H new ATOM 0 HD2 PHE A 69 105.463 -1.666 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 69 101.846 -0.493 -5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 69 103.324 -0.740 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.509 -0.166 -2.570 1.00 0.00 H new ATOM 1134 N LEU A 70 107.038 0.605 -6.474 1.00 0.00 N ATOM 1135 CA LEU A 70 106.502 1.831 -7.125 1.00 0.00 C ATOM 1136 C LEU A 70 105.350 1.448 -8.052 1.00 0.00 C ATOM 1137 O LEU A 70 104.908 0.316 -8.076 1.00 0.00 O ATOM 1138 CB LEU A 70 107.618 2.473 -7.955 1.00 0.00 C ATOM 1139 CG LEU A 70 107.903 3.889 -7.454 1.00 0.00 C ATOM 1140 CD1 LEU A 70 108.936 3.837 -6.327 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.455 4.724 -8.612 1.00 0.00 C ATOM 0 H LEU A 70 107.824 0.175 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 70 106.146 2.529 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 70 108.522 1.868 -7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 70 107.328 2.503 -9.005 1.00 0.00 H new ATOM 0 HG LEU A 70 106.984 4.338 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 70 109.138 4.847 -5.971 1.00 0.00 H new ATOM 0 HD12 LEU A 70 108.549 3.234 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.859 3.393 -6.700 1.00 0.00 H new ATOM 0 HD21 LEU A 70 108.662 5.736 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 70 109.376 4.272 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.721 4.759 -9.417 1.00 0.00 H new ATOM 1153 N THR A 71 104.866 2.381 -8.821 1.00 0.00 N ATOM 1154 CA THR A 71 103.748 2.068 -9.752 1.00 0.00 C ATOM 1155 C THR A 71 103.699 3.122 -10.868 1.00 0.00 C ATOM 1156 O THR A 71 104.090 4.255 -10.665 1.00 0.00 O ATOM 1157 CB THR A 71 102.428 2.085 -8.985 1.00 0.00 C ATOM 1158 OG1 THR A 71 102.243 3.371 -8.408 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.440 1.026 -7.878 1.00 0.00 C ATOM 0 H THR A 71 105.196 3.346 -8.845 1.00 0.00 H new ATOM 0 HA THR A 71 103.906 1.082 -10.188 1.00 0.00 H new ATOM 0 HB THR A 71 101.612 1.863 -9.673 1.00 0.00 H new ATOM 0 HG1 THR A 71 101.383 3.739 -8.699 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.492 1.051 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.581 0.040 -8.320 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.256 1.233 -7.185 1.00 0.00 H new ATOM 1167 N PRO A 72 103.211 2.714 -12.014 1.00 0.00 N ATOM 1168 CA PRO A 72 103.085 3.597 -13.189 1.00 0.00 C ATOM 1169 C PRO A 72 101.893 4.548 -13.027 1.00 0.00 C ATOM 1170 O PRO A 72 102.051 5.667 -12.579 1.00 0.00 O ATOM 1171 CB PRO A 72 102.881 2.623 -14.352 1.00 0.00 C ATOM 1172 CG PRO A 72 102.358 1.306 -13.733 1.00 0.00 C ATOM 1173 CD PRO A 72 102.742 1.336 -12.242 1.00 0.00 C ATOM 0 HA PRO A 72 103.951 4.242 -13.338 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.168 3.023 -15.073 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.816 2.456 -14.887 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.278 1.224 -13.853 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.800 0.442 -14.229 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.889 1.096 -11.607 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.522 0.608 -12.017 1.00 0.00 H new ATOM 1181 N HIS A 73 100.700 4.132 -13.381 1.00 0.00 N ATOM 1182 CA HIS A 73 99.539 5.056 -13.221 1.00 0.00 C ATOM 1183 C HIS A 73 99.568 5.626 -11.798 1.00 0.00 C ATOM 1184 O HIS A 73 100.407 5.262 -10.998 1.00 0.00 O ATOM 1185 CB HIS A 73 98.206 4.329 -13.491 1.00 0.00 C ATOM 1186 CG HIS A 73 98.187 2.969 -12.842 1.00 0.00 C ATOM 1187 ND1 HIS A 73 97.397 2.691 -11.736 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.853 1.804 -13.125 1.00 0.00 C ATOM 1189 CE1 HIS A 73 97.615 1.407 -11.390 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.493 0.820 -12.207 1.00 0.00 N ATOM 0 H HIS A 73 100.485 3.212 -13.766 1.00 0.00 H new ATOM 0 HA HIS A 73 99.615 5.865 -13.948 1.00 0.00 H new ATOM 0 HB2 HIS A 73 97.378 4.928 -13.111 1.00 0.00 H new ATOM 0 HB3 HIS A 73 98.057 4.224 -14.566 1.00 0.00 H new ATOM 0 HD2 HIS A 73 99.552 1.670 -13.938 1.00 0.00 H new ATOM 0 HE1 HIS A 73 97.139 0.914 -10.555 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.828 -0.143 -12.167 1.00 0.00 H new ATOM 1198 N ARG A 74 98.690 6.534 -11.476 1.00 0.00 N ATOM 1199 CA ARG A 74 98.713 7.130 -10.106 1.00 0.00 C ATOM 1200 C ARG A 74 97.614 6.520 -9.236 1.00 0.00 C ATOM 1201 O ARG A 74 96.525 6.234 -9.696 1.00 0.00 O ATOM 1202 CB ARG A 74 98.500 8.640 -10.209 1.00 0.00 C ATOM 1203 CG ARG A 74 99.856 9.347 -10.245 1.00 0.00 C ATOM 1204 CD ARG A 74 100.145 9.825 -11.668 1.00 0.00 C ATOM 1205 NE ARG A 74 101.598 9.664 -11.960 1.00 0.00 N ATOM 1206 CZ ARG A 74 102.485 10.149 -11.136 1.00 0.00 C ATOM 1207 NH1 ARG A 74 102.478 11.421 -10.842 1.00 0.00 N ATOM 1208 NH2 ARG A 74 103.380 9.361 -10.604 1.00 0.00 N ATOM 0 H ARG A 74 97.961 6.889 -12.095 1.00 0.00 H new ATOM 0 HA ARG A 74 99.679 6.920 -9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 74 97.931 8.877 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.916 8.994 -9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.855 10.194 -9.559 1.00 0.00 H new ATOM 0 HG3 ARG A 74 100.641 8.668 -9.912 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.554 9.252 -12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.854 10.870 -11.778 1.00 0.00 H new ATOM 0 HE ARG A 74 101.898 9.175 -12.803 1.00 0.00 H new ATOM 0 HH11 ARG A 74 101.778 12.036 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 74 103.172 11.799 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 74 103.385 8.367 -10.833 1.00 0.00 H new ATOM 0 HH22 ARG A 74 104.074 9.739 -9.959 1.00 0.00 H new ATOM 1222 N HIS A 75 97.894 6.327 -7.974 1.00 0.00 N ATOM 1223 CA HIS A 75 96.875 5.743 -7.053 1.00 0.00 C ATOM 1224 C HIS A 75 97.166 6.219 -5.637 1.00 0.00 C ATOM 1225 O HIS A 75 98.303 6.264 -5.211 1.00 0.00 O ATOM 1226 CB HIS A 75 96.945 4.211 -7.061 1.00 0.00 C ATOM 1227 CG HIS A 75 98.047 3.752 -7.968 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.972 3.879 -9.340 1.00 0.00 N ATOM 1229 CD2 HIS A 75 99.265 3.180 -7.710 1.00 0.00 C ATOM 1230 CE1 HIS A 75 99.113 3.391 -9.852 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.932 2.953 -8.901 1.00 0.00 N ATOM 0 H HIS A 75 98.789 6.550 -7.539 1.00 0.00 H new ATOM 0 HA HIS A 75 95.886 6.060 -7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.117 3.842 -6.050 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.993 3.797 -7.394 1.00 0.00 H new ATOM 0 HD1 HIS A 75 97.193 4.272 -9.868 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.646 2.943 -6.728 1.00 0.00 H new ATOM 0 HE1 HIS A 75 99.338 3.358 -10.908 1.00 0.00 H new ATOM 1239 N ARG A 76 96.156 6.554 -4.891 1.00 0.00 N ATOM 1240 CA ARG A 76 96.405 6.998 -3.498 1.00 0.00 C ATOM 1241 C ARG A 76 97.101 5.857 -2.756 1.00 0.00 C ATOM 1242 O ARG A 76 96.703 4.708 -2.855 1.00 0.00 O ATOM 1243 CB ARG A 76 95.076 7.321 -2.811 1.00 0.00 C ATOM 1244 CG ARG A 76 94.297 8.335 -3.653 1.00 0.00 C ATOM 1245 CD ARG A 76 93.058 8.793 -2.883 1.00 0.00 C ATOM 1246 NE ARG A 76 92.085 7.668 -2.796 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.009 7.789 -2.070 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.087 8.648 -2.409 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.854 7.052 -1.004 1.00 0.00 N ATOM 0 H ARG A 76 95.178 6.540 -5.182 1.00 0.00 H new ATOM 0 HA ARG A 76 97.028 7.893 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 76 94.490 6.411 -2.685 1.00 0.00 H new ATOM 0 HB3 ARG A 76 95.258 7.724 -1.815 1.00 0.00 H new ATOM 0 HG2 ARG A 76 94.930 9.191 -3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 76 94.003 7.886 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 76 93.339 9.123 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 76 92.600 9.646 -3.383 1.00 0.00 H new ATOM 0 HE ARG A 76 92.261 6.802 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 76 90.208 9.224 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 76 89.245 8.743 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 76 91.575 6.381 -0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 76 90.012 7.147 -0.436 1.00 0.00 H new ATOM 1263 N VAL A 77 98.140 6.140 -2.022 1.00 0.00 N ATOM 1264 CA VAL A 77 98.818 5.036 -1.303 1.00 0.00 C ATOM 1265 C VAL A 77 97.869 4.507 -0.227 1.00 0.00 C ATOM 1266 O VAL A 77 98.080 3.451 0.336 1.00 0.00 O ATOM 1267 CB VAL A 77 100.158 5.514 -0.727 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.491 4.754 0.563 1.00 0.00 C ATOM 1269 CG2 VAL A 77 101.260 5.249 -1.771 1.00 0.00 C ATOM 0 H VAL A 77 98.540 7.069 -1.892 1.00 0.00 H new ATOM 0 HA VAL A 77 99.054 4.219 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 77 100.094 6.578 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.444 5.106 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.707 4.928 1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.558 3.687 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 77 102.221 5.583 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.307 4.182 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 77 101.033 5.795 -2.687 1.00 0.00 H new ATOM 1279 N SER A 78 96.792 5.205 0.018 1.00 0.00 N ATOM 1280 CA SER A 78 95.799 4.709 1.003 1.00 0.00 C ATOM 1281 C SER A 78 95.019 3.586 0.317 1.00 0.00 C ATOM 1282 O SER A 78 94.582 2.635 0.936 1.00 0.00 O ATOM 1283 CB SER A 78 94.847 5.843 1.403 1.00 0.00 C ATOM 1284 OG SER A 78 93.509 5.485 1.074 1.00 0.00 O ATOM 0 H SER A 78 96.561 6.095 -0.423 1.00 0.00 H new ATOM 0 HA SER A 78 96.289 4.348 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.929 6.039 2.472 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.125 6.763 0.888 1.00 0.00 H new ATOM 0 HG SER A 78 92.903 6.211 1.332 1.00 0.00 H new ATOM 1290 N ALA A 79 94.865 3.696 -0.978 1.00 0.00 N ATOM 1291 CA ALA A 79 94.144 2.648 -1.752 1.00 0.00 C ATOM 1292 C ALA A 79 94.998 1.382 -1.773 1.00 0.00 C ATOM 1293 O ALA A 79 94.582 0.337 -1.312 1.00 0.00 O ATOM 1294 CB ALA A 79 93.924 3.132 -3.186 1.00 0.00 C ATOM 0 H ALA A 79 95.213 4.476 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 79 93.179 2.443 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.396 2.364 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.331 4.047 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.888 3.330 -3.655 1.00 0.00 H new ATOM 1300 N ILE A 80 96.199 1.463 -2.289 1.00 0.00 N ATOM 1301 CA ILE A 80 97.067 0.250 -2.305 1.00 0.00 C ATOM 1302 C ILE A 80 97.432 -0.090 -0.867 1.00 0.00 C ATOM 1303 O ILE A 80 97.797 -1.206 -0.553 1.00 0.00 O ATOM 1304 CB ILE A 80 98.335 0.504 -3.111 1.00 0.00 C ATOM 1305 CG1 ILE A 80 97.947 1.124 -4.467 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.069 -0.829 -3.311 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.910 0.669 -5.562 1.00 0.00 C ATOM 0 H ILE A 80 96.610 2.304 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 80 96.531 -0.577 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 80 98.996 1.194 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 80 96.929 0.834 -4.727 1.00 0.00 H new ATOM 0 HG13 ILE A 80 97.960 2.211 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 80 99.979 -0.660 -3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.327 -1.251 -2.340 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.423 -1.523 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.619 1.118 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.923 0.981 -5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.876 -0.417 -5.648 1.00 0.00 H new ATOM 1319 N ASN A 81 97.304 0.857 0.022 1.00 0.00 N ATOM 1320 CA ASN A 81 97.604 0.559 1.442 1.00 0.00 C ATOM 1321 C ASN A 81 96.724 -0.627 1.820 1.00 0.00 C ATOM 1322 O ASN A 81 97.101 -1.490 2.587 1.00 0.00 O ATOM 1323 CB ASN A 81 97.269 1.777 2.313 1.00 0.00 C ATOM 1324 CG ASN A 81 97.024 1.329 3.755 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.682 0.306 4.224 1.00 0.00 O flip ATOM 1326 ND2 ASN A 81 96.225 1.914 4.461 1.00 0.00 N flip ATOM 0 H ASN A 81 97.008 1.813 -0.175 1.00 0.00 H new ATOM 0 HA ASN A 81 98.659 0.330 1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 81 98.088 2.496 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 81 96.385 2.282 1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.710 2.714 4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 81 96.070 1.604 5.420 1.00 0.00 H new ATOM 1333 N ASN A 82 95.554 -0.677 1.244 1.00 0.00 N ATOM 1334 CA ASN A 82 94.630 -1.804 1.511 1.00 0.00 C ATOM 1335 C ASN A 82 95.286 -3.086 1.003 1.00 0.00 C ATOM 1336 O ASN A 82 95.222 -4.116 1.638 1.00 0.00 O ATOM 1337 CB ASN A 82 93.312 -1.572 0.770 1.00 0.00 C ATOM 1338 CG ASN A 82 92.217 -1.206 1.774 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.377 -1.399 2.962 1.00 0.00 O ATOM 1340 ND2 ASN A 82 91.105 -0.680 1.341 1.00 0.00 N ATOM 0 H ASN A 82 95.200 0.025 0.594 1.00 0.00 H new ATOM 0 HA ASN A 82 94.425 -1.882 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 82 93.430 -0.773 0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 82 93.030 -2.469 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 82 90.368 -0.430 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.972 -0.518 0.343 1.00 0.00 H new ATOM 1347 N TYR A 83 95.934 -3.030 -0.135 1.00 0.00 N ATOM 1348 CA TYR A 83 96.609 -4.250 -0.655 1.00 0.00 C ATOM 1349 C TYR A 83 97.583 -4.746 0.414 1.00 0.00 C ATOM 1350 O TYR A 83 97.376 -5.776 1.021 1.00 0.00 O ATOM 1351 CB TYR A 83 97.370 -3.900 -1.948 1.00 0.00 C ATOM 1352 CG TYR A 83 97.803 -5.155 -2.696 1.00 0.00 C ATOM 1353 CD1 TYR A 83 98.068 -6.362 -2.019 1.00 0.00 C ATOM 1354 CD2 TYR A 83 97.938 -5.103 -4.091 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.448 -7.502 -2.738 1.00 0.00 C ATOM 1356 CE2 TYR A 83 98.330 -6.239 -4.805 1.00 0.00 C ATOM 1357 CZ TYR A 83 98.579 -7.438 -4.132 1.00 0.00 C ATOM 1358 OH TYR A 83 98.910 -8.572 -4.847 1.00 0.00 O ATOM 0 H TYR A 83 96.022 -2.198 -0.719 1.00 0.00 H new ATOM 0 HA TYR A 83 95.880 -5.028 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.735 -3.292 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 83 98.246 -3.299 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.978 -6.408 -0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 83 97.738 -4.181 -4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.640 -8.429 -2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 83 98.441 -6.190 -5.878 1.00 0.00 H new ATOM 0 HH TYR A 83 98.101 -8.956 -5.244 1.00 0.00 H new ATOM 1368 N ALA A 84 98.643 -4.023 0.647 1.00 0.00 N ATOM 1369 CA ALA A 84 99.641 -4.456 1.671 1.00 0.00 C ATOM 1370 C ALA A 84 98.983 -4.588 3.052 1.00 0.00 C ATOM 1371 O ALA A 84 99.579 -5.101 3.977 1.00 0.00 O ATOM 1372 CB ALA A 84 100.766 -3.423 1.745 1.00 0.00 C ATOM 0 H ALA A 84 98.864 -3.148 0.172 1.00 0.00 H new ATOM 0 HA ALA A 84 100.040 -5.428 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.497 -3.734 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.251 -3.343 0.772 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.352 -2.454 2.025 1.00 0.00 H new ATOM 1378 N GLN A 85 97.773 -4.124 3.209 1.00 0.00 N ATOM 1379 CA GLN A 85 97.111 -4.224 4.543 1.00 0.00 C ATOM 1380 C GLN A 85 96.435 -5.591 4.703 1.00 0.00 C ATOM 1381 O GLN A 85 96.414 -6.158 5.777 1.00 0.00 O ATOM 1382 CB GLN A 85 96.057 -3.122 4.667 1.00 0.00 C ATOM 1383 CG GLN A 85 95.321 -3.265 6.001 1.00 0.00 C ATOM 1384 CD GLN A 85 96.087 -2.510 7.089 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.883 -1.329 7.285 1.00 0.00 O ATOM 1386 NE2 GLN A 85 96.968 -3.147 7.811 1.00 0.00 N ATOM 0 H GLN A 85 97.216 -3.683 2.477 1.00 0.00 H new ATOM 0 HA GLN A 85 97.865 -4.109 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 85 96.531 -2.142 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.349 -3.187 3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 85 94.308 -2.871 5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 85 95.231 -4.318 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 85 97.140 -4.139 7.647 1.00 0.00 H new ATOM 0 HE22 GLN A 85 97.484 -2.653 8.539 1.00 0.00 H new ATOM 1395 N LYS A 86 95.880 -6.125 3.651 1.00 0.00 N ATOM 1396 CA LYS A 86 95.206 -7.450 3.756 1.00 0.00 C ATOM 1397 C LYS A 86 96.257 -8.533 3.990 1.00 0.00 C ATOM 1398 O LYS A 86 95.943 -9.658 4.326 1.00 0.00 O ATOM 1399 CB LYS A 86 94.448 -7.744 2.460 1.00 0.00 C ATOM 1400 CG LYS A 86 92.952 -7.860 2.759 1.00 0.00 C ATOM 1401 CD LYS A 86 92.185 -6.823 1.935 1.00 0.00 C ATOM 1402 CE LYS A 86 90.682 -7.021 2.139 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.139 -5.901 2.958 1.00 0.00 N ATOM 0 H LYS A 86 95.864 -5.702 2.723 1.00 0.00 H new ATOM 0 HA LYS A 86 94.503 -7.437 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.624 -6.949 1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.813 -8.669 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.599 -8.863 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.769 -7.703 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 86 92.474 -5.816 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.436 -6.924 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 86 90.175 -7.059 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 86 90.494 -7.973 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 89.117 -6.036 3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 90.615 -5.885 3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.306 -4.999 2.467 1.00 0.00 H new ATOM 1417 N LEU A 87 97.505 -8.203 3.812 1.00 0.00 N ATOM 1418 CA LEU A 87 98.579 -9.209 4.022 1.00 0.00 C ATOM 1419 C LEU A 87 99.226 -8.980 5.390 1.00 0.00 C ATOM 1420 O LEU A 87 100.430 -8.875 5.510 1.00 0.00 O ATOM 1421 CB LEU A 87 99.627 -9.061 2.917 1.00 0.00 C ATOM 1422 CG LEU A 87 98.930 -9.113 1.555 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.487 -8.013 0.652 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.179 -10.476 0.907 1.00 0.00 C ATOM 0 H LEU A 87 97.827 -7.277 3.529 1.00 0.00 H new ATOM 0 HA LEU A 87 98.159 -10.214 3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.162 -8.118 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.367 -9.858 2.991 1.00 0.00 H new ATOM 0 HG LEU A 87 97.859 -8.963 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 87 98.990 -8.051 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.311 -7.041 1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.558 -8.161 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.683 -10.514 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.250 -10.625 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.781 -11.262 1.549 1.00 0.00 H new ATOM 1436 N CYS A 88 98.431 -8.906 6.423 1.00 0.00 N ATOM 1437 CA CYS A 88 98.995 -8.690 7.785 1.00 0.00 C ATOM 1438 C CYS A 88 98.381 -9.700 8.760 1.00 0.00 C ATOM 1439 O CYS A 88 98.319 -9.468 9.951 1.00 0.00 O ATOM 1440 CB CYS A 88 98.669 -7.268 8.252 1.00 0.00 C ATOM 1441 SG CYS A 88 99.465 -6.961 9.849 1.00 0.00 S ATOM 0 H CYS A 88 97.415 -8.986 6.382 1.00 0.00 H new ATOM 0 HA CYS A 88 100.076 -8.825 7.756 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.016 -6.543 7.515 1.00 0.00 H new ATOM 0 HB3 CYS A 88 97.590 -7.141 8.341 1.00 0.00 H new ATOM 0 HG CYS A 88 100.389 -7.853 10.052 1.00 0.00 H new ATOM 1447 N THR A 89 97.929 -10.819 8.262 1.00 0.00 N ATOM 1448 CA THR A 89 97.321 -11.842 9.162 1.00 0.00 C ATOM 1449 C THR A 89 98.389 -12.860 9.568 1.00 0.00 C ATOM 1450 O THR A 89 98.103 -14.017 9.803 1.00 0.00 O ATOM 1451 CB THR A 89 96.187 -12.559 8.425 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.647 -12.986 7.152 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.006 -11.604 8.250 1.00 0.00 C ATOM 0 H THR A 89 97.954 -11.069 7.273 1.00 0.00 H new ATOM 0 HA THR A 89 96.925 -11.355 10.053 1.00 0.00 H new ATOM 0 HB THR A 89 95.867 -13.425 9.004 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.626 -12.950 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.199 -12.115 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.653 -11.278 9.229 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.322 -10.736 7.671 1.00 0.00 H new ATOM 1461 N PHE A 90 99.620 -12.436 9.651 1.00 0.00 N ATOM 1462 CA PHE A 90 100.714 -13.375 10.041 1.00 0.00 C ATOM 1463 C PHE A 90 101.724 -12.630 10.915 1.00 0.00 C ATOM 1464 O PHE A 90 102.234 -13.160 11.882 1.00 0.00 O ATOM 1465 CB PHE A 90 101.422 -13.916 8.790 1.00 0.00 C ATOM 1466 CG PHE A 90 101.062 -13.080 7.583 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.810 -13.236 6.975 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.976 -12.150 7.074 1.00 0.00 C ATOM 1469 CE1 PHE A 90 99.472 -12.461 5.860 1.00 0.00 C ATOM 1470 CE2 PHE A 90 101.637 -11.375 5.958 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.387 -11.532 5.352 1.00 0.00 C ATOM 0 H PHE A 90 99.918 -11.478 9.466 1.00 0.00 H new ATOM 0 HA PHE A 90 100.288 -14.212 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.501 -13.904 8.941 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.135 -14.954 8.621 1.00 0.00 H new ATOM 0 HD1 PHE A 90 99.105 -13.955 7.367 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.942 -12.030 7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.506 -12.580 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.341 -10.656 5.566 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.127 -10.935 4.490 1.00 0.00 H new ATOM 1481 N SER A 91 102.014 -11.402 10.583 1.00 0.00 N ATOM 1482 CA SER A 91 102.988 -10.618 11.393 1.00 0.00 C ATOM 1483 C SER A 91 102.618 -9.135 11.327 1.00 0.00 C ATOM 1484 O SER A 91 101.704 -8.745 10.627 1.00 0.00 O ATOM 1485 CB SER A 91 104.397 -10.817 10.835 1.00 0.00 C ATOM 1486 OG SER A 91 104.342 -11.705 9.727 1.00 0.00 O ATOM 0 H SER A 91 101.618 -10.907 9.784 1.00 0.00 H new ATOM 0 HA SER A 91 102.960 -10.958 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.818 -9.859 10.528 1.00 0.00 H new ATOM 0 HB3 SER A 91 105.053 -11.220 11.607 1.00 0.00 H new ATOM 0 HG SER A 91 105.244 -11.834 9.366 1.00 0.00 H new ATOM 1492 N PHE A 92 103.319 -8.302 12.047 1.00 0.00 N ATOM 1493 CA PHE A 92 102.998 -6.848 12.017 1.00 0.00 C ATOM 1494 C PHE A 92 103.034 -6.352 10.569 1.00 0.00 C ATOM 1495 O PHE A 92 103.430 -7.065 9.669 1.00 0.00 O ATOM 1496 CB PHE A 92 104.025 -6.080 12.862 1.00 0.00 C ATOM 1497 CG PHE A 92 105.301 -5.883 12.074 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.173 -6.958 11.864 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.611 -4.621 11.550 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.348 -6.774 11.131 1.00 0.00 C ATOM 1501 CE2 PHE A 92 106.788 -4.437 10.819 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.657 -5.512 10.609 1.00 0.00 C ATOM 0 H PHE A 92 104.097 -8.565 12.652 1.00 0.00 H new ATOM 0 HA PHE A 92 102.003 -6.681 12.429 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.616 -5.113 13.155 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.236 -6.629 13.780 1.00 0.00 H new ATOM 0 HD1 PHE A 92 105.937 -7.931 12.269 1.00 0.00 H new ATOM 0 HD2 PHE A 92 104.940 -3.790 11.711 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.018 -7.605 10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.026 -3.464 10.416 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.566 -5.369 10.044 1.00 0.00 H new ATOM 1512 N LEU A 93 102.627 -5.134 10.335 1.00 0.00 N ATOM 1513 CA LEU A 93 102.646 -4.602 8.944 1.00 0.00 C ATOM 1514 C LEU A 93 102.711 -3.075 8.980 1.00 0.00 C ATOM 1515 O LEU A 93 101.782 -2.412 9.397 1.00 0.00 O ATOM 1516 CB LEU A 93 101.378 -5.041 8.207 1.00 0.00 C ATOM 1517 CG LEU A 93 101.329 -4.370 6.832 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.704 -5.385 5.751 1.00 0.00 C ATOM 1519 CD2 LEU A 93 99.915 -3.847 6.571 1.00 0.00 C ATOM 0 H LEU A 93 102.283 -4.487 11.045 1.00 0.00 H new ATOM 0 HA LEU A 93 103.521 -4.991 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.366 -6.125 8.095 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.495 -4.771 8.787 1.00 0.00 H new ATOM 0 HG LEU A 93 102.035 -3.540 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.668 -4.905 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.711 -5.758 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.000 -6.217 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.879 -3.369 5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.210 -4.678 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.648 -3.121 7.339 1.00 0.00 H new ATOM 1531 N ILE A 94 103.800 -2.511 8.536 1.00 0.00 N ATOM 1532 CA ILE A 94 103.926 -1.028 8.532 1.00 0.00 C ATOM 1533 C ILE A 94 103.980 -0.536 7.085 1.00 0.00 C ATOM 1534 O ILE A 94 105.022 -0.156 6.587 1.00 0.00 O ATOM 1535 CB ILE A 94 105.208 -0.617 9.258 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.179 -1.156 10.690 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.310 0.908 9.293 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.612 -1.318 11.201 1.00 0.00 C ATOM 0 H ILE A 94 104.610 -3.015 8.175 1.00 0.00 H new ATOM 0 HA ILE A 94 103.069 -0.587 9.041 1.00 0.00 H new ATOM 0 HB ILE A 94 106.069 -1.027 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 94 104.626 -0.474 11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.660 -2.114 10.719 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.224 1.200 9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.331 1.295 8.274 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.448 1.318 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.593 -1.702 12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 94 107.150 -2.017 10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 94 107.115 -0.351 11.186 1.00 0.00 H new ATOM 1550 N CYS A 95 102.867 -0.545 6.404 1.00 0.00 N ATOM 1551 CA CYS A 95 102.858 -0.084 4.987 1.00 0.00 C ATOM 1552 C CYS A 95 102.832 1.446 4.949 1.00 0.00 C ATOM 1553 O CYS A 95 102.132 2.083 5.710 1.00 0.00 O ATOM 1554 CB CYS A 95 101.614 -0.633 4.283 1.00 0.00 C ATOM 1555 SG CYS A 95 101.446 0.144 2.657 1.00 0.00 S ATOM 0 H CYS A 95 101.964 -0.851 6.767 1.00 0.00 H new ATOM 0 HA CYS A 95 103.753 -0.445 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 95 101.693 -1.715 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.727 -0.437 4.885 1.00 0.00 H new ATOM 0 HG CYS A 95 100.563 1.096 2.720 1.00 0.00 H new ATOM 1561 N LYS A 96 103.590 2.040 4.069 1.00 0.00 N ATOM 1562 CA LYS A 96 103.606 3.529 3.986 1.00 0.00 C ATOM 1563 C LYS A 96 103.941 3.959 2.556 1.00 0.00 C ATOM 1564 O LYS A 96 104.287 3.150 1.718 1.00 0.00 O ATOM 1565 CB LYS A 96 104.665 4.078 4.944 1.00 0.00 C ATOM 1566 CG LYS A 96 104.087 5.263 5.719 1.00 0.00 C ATOM 1567 CD LYS A 96 105.227 6.056 6.362 1.00 0.00 C ATOM 1568 CE LYS A 96 104.854 6.411 7.803 1.00 0.00 C ATOM 1569 NZ LYS A 96 106.079 6.824 8.545 1.00 0.00 N ATOM 0 H LYS A 96 104.198 1.561 3.405 1.00 0.00 H new ATOM 0 HA LYS A 96 102.626 3.919 4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.984 3.298 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 96 105.548 4.390 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 96 103.515 5.905 5.049 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.398 4.909 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 96 106.146 5.469 6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 96 105.419 6.964 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.121 7.218 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.391 5.554 8.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 105.827 7.066 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 106.764 6.042 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 106.502 7.654 8.082 1.00 0.00 H new ATOM 1583 N GLY A 97 103.843 5.230 2.271 1.00 0.00 N ATOM 1584 CA GLY A 97 104.159 5.715 0.897 1.00 0.00 C ATOM 1585 C GLY A 97 105.410 6.593 0.947 1.00 0.00 C ATOM 1586 O GLY A 97 105.909 6.916 2.007 1.00 0.00 O ATOM 0 H GLY A 97 103.558 5.953 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 97 104.321 4.869 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 97 103.318 6.282 0.497 1.00 0.00 H new ATOM 1590 N VAL A 98 105.924 6.982 -0.187 1.00 0.00 N ATOM 1591 CA VAL A 98 107.145 7.838 -0.188 1.00 0.00 C ATOM 1592 C VAL A 98 106.956 9.013 -1.146 1.00 0.00 C ATOM 1593 O VAL A 98 106.496 8.854 -2.260 1.00 0.00 O ATOM 1594 CB VAL A 98 108.349 7.011 -0.640 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.636 7.650 -0.116 1.00 0.00 C ATOM 1596 CG2 VAL A 98 108.226 5.588 -0.092 1.00 0.00 C ATOM 0 H VAL A 98 105.555 6.746 -1.108 1.00 0.00 H new ATOM 0 HA VAL A 98 107.315 8.216 0.820 1.00 0.00 H new ATOM 0 HB VAL A 98 108.378 6.980 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.493 7.059 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.725 8.663 -0.508 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.608 7.684 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 98 109.084 4.999 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 98 108.195 5.619 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 98 107.310 5.131 -0.468 1.00 0.00 H new ATOM 1606 N ASN A 99 107.323 10.193 -0.726 1.00 0.00 N ATOM 1607 CA ASN A 99 107.181 11.378 -1.616 1.00 0.00 C ATOM 1608 C ASN A 99 108.497 11.594 -2.363 1.00 0.00 C ATOM 1609 O ASN A 99 108.557 12.291 -3.356 1.00 0.00 O ATOM 1610 CB ASN A 99 106.857 12.614 -0.774 1.00 0.00 C ATOM 1611 CG ASN A 99 105.700 12.296 0.175 1.00 0.00 C ATOM 1612 OD1 ASN A 99 105.696 11.268 0.823 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.712 13.141 0.287 1.00 0.00 N ATOM 0 H ASN A 99 107.715 10.387 0.195 1.00 0.00 H new ATOM 0 HA ASN A 99 106.374 11.212 -2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.735 12.920 -0.205 1.00 0.00 H new ATOM 0 HB3 ASN A 99 106.591 13.449 -1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 99 103.937 12.939 0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.715 14.004 -0.257 1.00 0.00 H new ATOM 1620 N LYS A 100 109.555 10.990 -1.891 1.00 0.00 N ATOM 1621 CA LYS A 100 110.874 11.144 -2.565 1.00 0.00 C ATOM 1622 C LYS A 100 111.477 9.760 -2.812 1.00 0.00 C ATOM 1623 O LYS A 100 112.465 9.389 -2.215 1.00 0.00 O ATOM 1624 CB LYS A 100 111.813 11.959 -1.672 1.00 0.00 C ATOM 1625 CG LYS A 100 111.203 13.337 -1.411 1.00 0.00 C ATOM 1626 CD LYS A 100 112.260 14.254 -0.792 1.00 0.00 C ATOM 1627 CE LYS A 100 111.575 15.296 0.096 1.00 0.00 C ATOM 1628 NZ LYS A 100 112.606 16.170 0.723 1.00 0.00 N ATOM 0 H LYS A 100 109.561 10.394 -1.063 1.00 0.00 H new ATOM 0 HA LYS A 100 110.742 11.661 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.978 11.438 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.786 12.066 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 100 110.835 13.766 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.347 13.247 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 100 112.966 13.668 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.832 14.749 -1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 100 110.885 15.897 -0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 100 110.985 14.801 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 112.141 16.878 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 113.248 15.590 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 113.150 16.653 -0.020 1.00 0.00 H new ATOM 1642 N GLU A 101 110.882 8.995 -3.686 1.00 0.00 N ATOM 1643 CA GLU A 101 111.402 7.628 -3.985 1.00 0.00 C ATOM 1644 C GLU A 101 112.934 7.638 -4.020 1.00 0.00 C ATOM 1645 O GLU A 101 113.586 7.079 -3.161 1.00 0.00 O ATOM 1646 CB GLU A 101 110.875 7.190 -5.353 1.00 0.00 C ATOM 1647 CG GLU A 101 109.394 7.547 -5.477 1.00 0.00 C ATOM 1648 CD GLU A 101 109.237 8.779 -6.369 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.248 9.297 -6.812 1.00 0.00 O ATOM 1650 OE2 GLU A 101 108.108 9.184 -6.593 1.00 0.00 O ATOM 0 H GLU A 101 110.049 9.261 -4.212 1.00 0.00 H new ATOM 0 HA GLU A 101 111.069 6.939 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 101 111.443 7.678 -6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.011 6.116 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 101 108.841 6.707 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 101 108.973 7.743 -4.491 1.00 0.00 H new ATOM 1657 N TYR A 102 113.498 8.257 -5.025 1.00 0.00 N ATOM 1658 CA TYR A 102 114.990 8.312 -5.169 1.00 0.00 C ATOM 1659 C TYR A 102 115.684 8.319 -3.803 1.00 0.00 C ATOM 1660 O TYR A 102 116.331 7.364 -3.426 1.00 0.00 O ATOM 1661 CB TYR A 102 115.375 9.586 -5.925 1.00 0.00 C ATOM 1662 CG TYR A 102 116.866 9.595 -6.178 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.761 9.829 -5.124 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.354 9.369 -7.471 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.140 9.837 -5.367 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.733 9.377 -7.712 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.626 9.611 -6.660 1.00 0.00 C ATOM 1668 OH TYR A 102 120.985 9.618 -6.898 1.00 0.00 O ATOM 0 H TYR A 102 112.983 8.735 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 102 115.311 7.426 -5.716 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.835 9.637 -6.871 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.089 10.465 -5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.387 10.003 -4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.666 9.188 -8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.830 10.018 -4.556 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.108 9.203 -8.710 1.00 0.00 H new ATOM 0 HH TYR A 102 121.152 9.443 -7.848 1.00 0.00 H new ATOM 1678 N LEU A 103 115.581 9.395 -3.072 1.00 0.00 N ATOM 1679 CA LEU A 103 116.265 9.467 -1.748 1.00 0.00 C ATOM 1680 C LEU A 103 115.938 8.230 -0.905 1.00 0.00 C ATOM 1681 O LEU A 103 116.816 7.590 -0.364 1.00 0.00 O ATOM 1682 CB LEU A 103 115.805 10.723 -1.003 1.00 0.00 C ATOM 1683 CG LEU A 103 116.988 11.679 -0.824 1.00 0.00 C ATOM 1684 CD1 LEU A 103 116.608 12.783 0.163 1.00 0.00 C ATOM 1685 CD2 LEU A 103 118.195 10.909 -0.287 1.00 0.00 C ATOM 0 H LEU A 103 115.053 10.228 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 103 117.342 9.506 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 103 115.008 11.216 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 103 115.394 10.451 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 103 117.241 12.123 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.450 13.463 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 103 115.750 13.335 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 103 116.352 12.339 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 119.035 11.592 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.943 10.462 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 103 118.468 10.124 -0.992 1.00 0.00 H new ATOM 1697 N MET A 104 114.687 7.899 -0.774 1.00 0.00 N ATOM 1698 CA MET A 104 114.307 6.714 0.046 1.00 0.00 C ATOM 1699 C MET A 104 115.263 5.550 -0.232 1.00 0.00 C ATOM 1700 O MET A 104 115.774 4.924 0.677 1.00 0.00 O ATOM 1701 CB MET A 104 112.878 6.295 -0.306 1.00 0.00 C ATOM 1702 CG MET A 104 112.148 5.854 0.963 1.00 0.00 C ATOM 1703 SD MET A 104 113.151 4.631 1.843 1.00 0.00 S ATOM 1704 CE MET A 104 111.818 3.914 2.834 1.00 0.00 C ATOM 0 H MET A 104 113.907 8.399 -1.200 1.00 0.00 H new ATOM 0 HA MET A 104 114.367 6.976 1.102 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.349 7.126 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.895 5.481 -1.030 1.00 0.00 H new ATOM 0 HG2 MET A 104 111.960 6.715 1.605 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.178 5.428 0.708 1.00 0.00 H new ATOM 0 HE1 MET A 104 112.161 2.984 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.530 4.615 3.618 1.00 0.00 H new ATOM 0 HE3 MET A 104 110.959 3.711 2.195 1.00 0.00 H new ATOM 1714 N TYR A 105 115.499 5.243 -1.478 1.00 0.00 N ATOM 1715 CA TYR A 105 116.410 4.109 -1.806 1.00 0.00 C ATOM 1716 C TYR A 105 117.870 4.528 -1.593 1.00 0.00 C ATOM 1717 O TYR A 105 118.719 3.710 -1.298 1.00 0.00 O ATOM 1718 CB TYR A 105 116.178 3.686 -3.265 1.00 0.00 C ATOM 1719 CG TYR A 105 117.377 2.934 -3.797 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.521 3.639 -4.189 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.346 1.535 -3.903 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.632 2.951 -4.684 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.459 0.848 -4.399 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.603 1.556 -4.789 1.00 0.00 C ATOM 1725 OH TYR A 105 120.700 0.878 -5.280 1.00 0.00 O ATOM 0 H TYR A 105 115.101 5.727 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 105 116.199 3.265 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.289 3.058 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.992 4.567 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.545 4.716 -4.109 1.00 0.00 H new ATOM 0 HD2 TYR A 105 116.464 0.989 -3.602 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.514 3.497 -4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 105 118.436 -0.229 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 105 120.514 -0.084 -5.286 1.00 0.00 H new ATOM 1735 N SER A 106 118.170 5.787 -1.734 1.00 0.00 N ATOM 1736 CA SER A 106 119.574 6.241 -1.530 1.00 0.00 C ATOM 1737 C SER A 106 119.997 5.927 -0.093 1.00 0.00 C ATOM 1738 O SER A 106 120.932 5.187 0.146 1.00 0.00 O ATOM 1739 CB SER A 106 119.664 7.747 -1.774 1.00 0.00 C ATOM 1740 OG SER A 106 120.805 8.027 -2.574 1.00 0.00 O ATOM 0 H SER A 106 117.506 6.521 -1.981 1.00 0.00 H new ATOM 0 HA SER A 106 120.233 5.725 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.761 8.101 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.733 8.277 -0.824 1.00 0.00 H new ATOM 0 HG SER A 106 120.864 8.992 -2.733 1.00 0.00 H new ATOM 1746 N ALA A 107 119.312 6.485 0.867 1.00 0.00 N ATOM 1747 CA ALA A 107 119.666 6.221 2.289 1.00 0.00 C ATOM 1748 C ALA A 107 119.536 4.723 2.579 1.00 0.00 C ATOM 1749 O ALA A 107 120.312 4.157 3.323 1.00 0.00 O ATOM 1750 CB ALA A 107 118.719 7.003 3.203 1.00 0.00 C ATOM 0 H ALA A 107 118.521 7.114 0.727 1.00 0.00 H new ATOM 0 HA ALA A 107 120.693 6.537 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.977 6.811 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.812 8.069 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.692 6.687 3.019 1.00 0.00 H new ATOM 1756 N LEU A 108 118.561 4.072 1.997 1.00 0.00 N ATOM 1757 CA LEU A 108 118.395 2.610 2.248 1.00 0.00 C ATOM 1758 C LEU A 108 119.645 1.869 1.773 1.00 0.00 C ATOM 1759 O LEU A 108 120.006 0.839 2.306 1.00 0.00 O ATOM 1760 CB LEU A 108 117.173 2.087 1.483 1.00 0.00 C ATOM 1761 CG LEU A 108 115.910 2.250 2.333 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.750 1.508 1.667 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.141 1.660 3.727 1.00 0.00 C ATOM 0 H LEU A 108 117.878 4.487 1.363 1.00 0.00 H new ATOM 0 HA LEU A 108 118.251 2.442 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.062 2.631 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.316 1.037 1.228 1.00 0.00 H new ATOM 0 HG LEU A 108 115.674 3.311 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.850 1.623 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.576 1.922 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 108 114.996 0.450 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.239 1.779 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.380 0.600 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 108 116.969 2.180 4.210 1.00 0.00 H new ATOM 1775 N THR A 109 120.311 2.385 0.777 1.00 0.00 N ATOM 1776 CA THR A 109 121.540 1.707 0.277 1.00 0.00 C ATOM 1777 C THR A 109 122.704 2.043 1.205 1.00 0.00 C ATOM 1778 O THR A 109 123.648 1.289 1.336 1.00 0.00 O ATOM 1779 CB THR A 109 121.857 2.198 -1.138 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.238 3.566 -1.090 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.622 2.041 -2.025 1.00 0.00 C ATOM 0 H THR A 109 120.058 3.244 0.289 1.00 0.00 H new ATOM 0 HA THR A 109 121.383 0.629 0.256 1.00 0.00 H new ATOM 0 HB THR A 109 122.675 1.608 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.448 4.120 -0.916 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.850 2.391 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.332 0.991 -2.063 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.801 2.629 -1.614 1.00 0.00 H new ATOM 1789 N ARG A 110 122.641 3.172 1.856 1.00 0.00 N ATOM 1790 CA ARG A 110 123.740 3.558 2.782 1.00 0.00 C ATOM 1791 C ARG A 110 123.443 3.000 4.176 1.00 0.00 C ATOM 1792 O ARG A 110 122.344 3.124 4.683 1.00 0.00 O ATOM 1793 CB ARG A 110 123.836 5.083 2.849 1.00 0.00 C ATOM 1794 CG ARG A 110 124.587 5.599 1.620 1.00 0.00 C ATOM 1795 CD ARG A 110 125.132 7.000 1.905 1.00 0.00 C ATOM 1796 NE ARG A 110 126.585 6.911 2.223 1.00 0.00 N ATOM 1797 CZ ARG A 110 127.457 6.806 1.259 1.00 0.00 C ATOM 1798 NH1 ARG A 110 127.316 7.513 0.171 1.00 0.00 N ATOM 1799 NH2 ARG A 110 128.471 5.993 1.382 1.00 0.00 N ATOM 0 H ARG A 110 121.876 3.843 1.786 1.00 0.00 H new ATOM 0 HA ARG A 110 124.685 3.153 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 110 122.838 5.520 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.354 5.386 3.759 1.00 0.00 H new ATOM 0 HG2 ARG A 110 125.405 4.923 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.920 5.625 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 110 124.977 7.645 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 110 124.593 7.449 2.739 1.00 0.00 H new ATOM 0 HE ARG A 110 126.897 6.932 3.194 1.00 0.00 H new ATOM 0 HH11 ARG A 110 126.524 8.148 0.075 1.00 0.00 H new ATOM 0 HH12 ARG A 110 127.998 7.431 -0.583 1.00 0.00 H new ATOM 0 HH21 ARG A 110 128.581 5.440 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 110 129.153 5.911 0.628 1.00 0.00 H new ATOM 1813 N ASP A 111 124.409 2.384 4.797 1.00 0.00 N ATOM 1814 CA ASP A 111 124.180 1.818 6.156 1.00 0.00 C ATOM 1815 C ASP A 111 123.401 2.829 7.002 1.00 0.00 C ATOM 1816 O ASP A 111 123.388 4.006 6.701 1.00 0.00 O ATOM 1817 CB ASP A 111 125.529 1.529 6.820 1.00 0.00 C ATOM 1818 CG ASP A 111 126.472 2.712 6.596 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.001 3.838 6.642 1.00 0.00 O ATOM 1820 OD2 ASP A 111 127.650 2.475 6.382 1.00 0.00 O ATOM 0 H ASP A 111 125.348 2.248 4.423 1.00 0.00 H new ATOM 0 HA ASP A 111 123.609 0.893 6.076 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.391 1.357 7.888 1.00 0.00 H new ATOM 0 HB3 ASP A 111 125.964 0.620 6.404 1.00 0.00 H new ATOM 1825 N PRO A 112 122.777 2.336 8.041 1.00 0.00 N ATOM 1826 CA PRO A 112 122.800 0.905 8.396 1.00 0.00 C ATOM 1827 C PRO A 112 121.791 0.115 7.552 1.00 0.00 C ATOM 1828 O PRO A 112 121.464 -1.013 7.864 1.00 0.00 O ATOM 1829 CB PRO A 112 122.387 0.899 9.869 1.00 0.00 C ATOM 1830 CG PRO A 112 121.610 2.215 10.111 1.00 0.00 C ATOM 1831 CD PRO A 112 121.995 3.174 8.969 1.00 0.00 C ATOM 0 HA PRO A 112 123.770 0.440 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 112 121.764 0.033 10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.261 0.840 10.517 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.535 2.034 10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 112 121.867 2.644 11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.112 3.589 8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.582 4.016 9.337 1.00 0.00 H new ATOM 1839 N PHE A 113 121.293 0.690 6.491 1.00 0.00 N ATOM 1840 CA PHE A 113 120.307 -0.048 5.648 1.00 0.00 C ATOM 1841 C PHE A 113 121.050 -0.950 4.662 1.00 0.00 C ATOM 1842 O PHE A 113 121.732 -0.484 3.770 1.00 0.00 O ATOM 1843 CB PHE A 113 119.442 0.948 4.872 1.00 0.00 C ATOM 1844 CG PHE A 113 118.466 1.614 5.813 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.399 0.884 6.356 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.628 2.964 6.143 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.499 1.504 7.225 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.727 3.584 7.013 1.00 0.00 C ATOM 1849 CZ PHE A 113 116.662 2.855 7.555 1.00 0.00 C ATOM 0 H PHE A 113 121.523 1.631 6.173 1.00 0.00 H new ATOM 0 HA PHE A 113 119.670 -0.656 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.073 1.698 4.396 1.00 0.00 H new ATOM 0 HB3 PHE A 113 118.902 0.434 4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.273 -0.158 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 113 119.450 3.527 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 113 115.677 0.942 7.643 1.00 0.00 H new ATOM 0 HE2 PHE A 113 117.852 4.626 7.267 1.00 0.00 H new ATOM 0 HZ PHE A 113 115.966 3.334 8.228 1.00 0.00 H new ATOM 1859 N SER A 114 120.920 -2.240 4.812 1.00 0.00 N ATOM 1860 CA SER A 114 121.616 -3.172 3.880 1.00 0.00 C ATOM 1861 C SER A 114 120.748 -3.386 2.640 1.00 0.00 C ATOM 1862 O SER A 114 119.761 -2.706 2.437 1.00 0.00 O ATOM 1863 CB SER A 114 121.847 -4.513 4.579 1.00 0.00 C ATOM 1864 OG SER A 114 123.239 -4.692 4.801 1.00 0.00 O ATOM 0 H SER A 114 120.362 -2.688 5.539 1.00 0.00 H new ATOM 0 HA SER A 114 122.576 -2.747 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.309 -4.540 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.457 -5.327 3.968 1.00 0.00 H new ATOM 0 HG SER A 114 123.391 -5.550 5.250 1.00 0.00 H new ATOM 1870 N VAL A 115 121.106 -4.321 1.804 1.00 0.00 N ATOM 1871 CA VAL A 115 120.299 -4.569 0.579 1.00 0.00 C ATOM 1872 C VAL A 115 120.173 -6.075 0.341 1.00 0.00 C ATOM 1873 O VAL A 115 121.093 -6.831 0.586 1.00 0.00 O ATOM 1874 CB VAL A 115 120.989 -3.920 -0.621 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.286 -4.349 -1.908 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.921 -2.397 -0.485 1.00 0.00 C ATOM 0 H VAL A 115 121.922 -4.923 1.917 1.00 0.00 H new ATOM 0 HA VAL A 115 119.305 -4.140 0.707 1.00 0.00 H new ATOM 0 HB VAL A 115 122.032 -4.236 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.778 -3.886 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 115 120.334 -5.434 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.243 -4.034 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.413 -1.933 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.878 -2.081 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.423 -2.091 0.433 1.00 0.00 H new ATOM 1886 N ILE A 116 119.042 -6.515 -0.138 1.00 0.00 N ATOM 1887 CA ILE A 116 118.857 -7.972 -0.395 1.00 0.00 C ATOM 1888 C ILE A 116 118.770 -8.212 -1.903 1.00 0.00 C ATOM 1889 O ILE A 116 119.670 -8.762 -2.509 1.00 0.00 O ATOM 1890 CB ILE A 116 117.565 -8.448 0.270 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.456 -7.834 1.667 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.582 -9.973 0.384 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.016 -7.957 2.168 1.00 0.00 C ATOM 0 H ILE A 116 118.238 -5.929 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 116 119.702 -8.525 0.016 1.00 0.00 H new ATOM 0 HB ILE A 116 116.711 -8.138 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.135 -8.341 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.754 -6.786 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.661 -10.313 0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.661 -10.411 -0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.436 -10.283 0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 116 115.938 -7.520 3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.348 -7.430 1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.734 -9.009 2.211 1.00 0.00 H new ATOM 1905 N GLU A 117 117.693 -7.803 -2.513 1.00 0.00 N ATOM 1906 CA GLU A 117 117.542 -8.003 -3.981 1.00 0.00 C ATOM 1907 C GLU A 117 116.829 -6.791 -4.581 1.00 0.00 C ATOM 1908 O GLU A 117 116.540 -5.829 -3.898 1.00 0.00 O ATOM 1909 CB GLU A 117 116.719 -9.266 -4.243 1.00 0.00 C ATOM 1910 CG GLU A 117 117.658 -10.438 -4.524 1.00 0.00 C ATOM 1911 CD GLU A 117 117.281 -11.622 -3.632 1.00 0.00 C ATOM 1912 OE1 GLU A 117 117.419 -11.497 -2.426 1.00 0.00 O ATOM 1913 OE2 GLU A 117 116.859 -12.633 -4.169 1.00 0.00 O ATOM 0 H GLU A 117 116.909 -7.337 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 117 118.524 -8.114 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.091 -9.489 -3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 117 116.052 -9.109 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 117 117.594 -10.725 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.691 -10.143 -4.337 1.00 0.00 H new ATOM 1920 N GLU A 118 116.542 -6.826 -5.854 1.00 0.00 N ATOM 1921 CA GLU A 118 115.848 -5.671 -6.488 1.00 0.00 C ATOM 1922 C GLU A 118 115.818 -5.862 -8.006 1.00 0.00 C ATOM 1923 O GLU A 118 116.787 -6.277 -8.608 1.00 0.00 O ATOM 1924 CB GLU A 118 116.598 -4.381 -6.150 1.00 0.00 C ATOM 1925 CG GLU A 118 118.097 -4.588 -6.374 1.00 0.00 C ATOM 1926 CD GLU A 118 118.869 -3.393 -5.809 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.539 -2.276 -6.171 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.776 -3.616 -5.024 1.00 0.00 O ATOM 0 H GLU A 118 116.758 -7.602 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 118 114.827 -5.609 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 118 116.236 -3.563 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.410 -4.099 -5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 118 118.424 -5.508 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 118 118.304 -4.698 -7.438 1.00 0.00 H new ATOM 1935 N SER A 119 114.713 -5.557 -8.629 1.00 0.00 N ATOM 1936 CA SER A 119 114.623 -5.718 -10.107 1.00 0.00 C ATOM 1937 C SER A 119 115.514 -4.674 -10.783 1.00 0.00 C ATOM 1938 O SER A 119 115.948 -4.845 -11.904 1.00 0.00 O ATOM 1939 CB SER A 119 113.175 -5.521 -10.557 1.00 0.00 C ATOM 1940 OG SER A 119 112.749 -4.212 -10.209 1.00 0.00 O ATOM 0 H SER A 119 113.869 -5.203 -8.178 1.00 0.00 H new ATOM 0 HA SER A 119 114.954 -6.718 -10.386 1.00 0.00 H new ATOM 0 HB2 SER A 119 113.094 -5.668 -11.634 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.531 -6.263 -10.085 1.00 0.00 H new ATOM 0 HG SER A 119 111.822 -4.082 -10.498 1.00 0.00 H new ATOM 1946 N LEU A 120 115.788 -3.591 -10.108 1.00 0.00 N ATOM 1947 CA LEU A 120 116.651 -2.538 -10.711 1.00 0.00 C ATOM 1948 C LEU A 120 118.103 -2.750 -10.261 1.00 0.00 C ATOM 1949 O LEU A 120 118.350 -3.098 -9.123 1.00 0.00 O ATOM 1950 CB LEU A 120 116.167 -1.159 -10.254 1.00 0.00 C ATOM 1951 CG LEU A 120 115.125 -0.632 -11.241 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.592 0.717 -10.753 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.772 -0.454 -12.616 1.00 0.00 C ATOM 0 H LEU A 120 115.452 -3.391 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 120 116.596 -2.598 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.736 -1.226 -9.255 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.008 -0.468 -10.193 1.00 0.00 H new ATOM 0 HG LEU A 120 114.302 -1.343 -11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.849 1.091 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.132 0.593 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.415 1.429 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 120 115.031 -0.078 -13.321 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.595 0.257 -12.542 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.152 -1.414 -12.966 1.00 0.00 H new ATOM 1965 N PRO A 121 119.020 -2.540 -11.173 1.00 0.00 N ATOM 1966 CA PRO A 121 120.460 -2.705 -10.902 1.00 0.00 C ATOM 1967 C PRO A 121 121.009 -1.495 -10.140 1.00 0.00 C ATOM 1968 O PRO A 121 122.181 -1.426 -9.831 1.00 0.00 O ATOM 1969 CB PRO A 121 121.078 -2.793 -12.299 1.00 0.00 C ATOM 1970 CG PRO A 121 120.076 -2.116 -13.264 1.00 0.00 C ATOM 1971 CD PRO A 121 118.710 -2.119 -12.554 1.00 0.00 C ATOM 0 HA PRO A 121 120.681 -3.575 -10.284 1.00 0.00 H new ATOM 0 HB2 PRO A 121 122.045 -2.291 -12.328 1.00 0.00 H new ATOM 0 HB3 PRO A 121 121.249 -3.831 -12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.389 -1.098 -13.496 1.00 0.00 H new ATOM 0 HG3 PRO A 121 120.023 -2.657 -14.209 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.248 -1.132 -12.575 1.00 0.00 H new ATOM 0 HD3 PRO A 121 118.014 -2.807 -13.033 1.00 0.00 H new ATOM 1979 N GLY A 122 120.174 -0.540 -9.835 1.00 0.00 N ATOM 1980 CA GLY A 122 120.657 0.661 -9.095 1.00 0.00 C ATOM 1981 C GLY A 122 119.465 1.421 -8.511 1.00 0.00 C ATOM 1982 O GLY A 122 119.185 2.542 -8.892 1.00 0.00 O ATOM 0 H GLY A 122 119.180 -0.539 -10.065 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.335 0.360 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.222 1.310 -9.765 1.00 0.00 H new ATOM 1986 N GLY A 123 118.761 0.823 -7.589 1.00 0.00 N ATOM 1987 CA GLY A 123 117.590 1.513 -6.980 1.00 0.00 C ATOM 1988 C GLY A 123 116.777 2.204 -8.073 1.00 0.00 C ATOM 1989 O GLY A 123 116.147 1.565 -8.889 1.00 0.00 O ATOM 0 H GLY A 123 118.947 -0.114 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.967 0.793 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 123 117.928 2.245 -6.246 1.00 0.00 H new ATOM 1993 N LEU A 124 116.783 3.508 -8.094 1.00 0.00 N ATOM 1994 CA LEU A 124 116.006 4.240 -9.134 1.00 0.00 C ATOM 1995 C LEU A 124 116.885 5.320 -9.770 1.00 0.00 C ATOM 1996 O LEU A 124 118.093 5.313 -9.632 1.00 0.00 O ATOM 1997 CB LEU A 124 114.787 4.895 -8.484 1.00 0.00 C ATOM 1998 CG LEU A 124 113.862 3.817 -7.921 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.243 4.310 -6.611 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.750 3.525 -8.929 1.00 0.00 C ATOM 0 H LEU A 124 117.292 4.099 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 124 115.681 3.540 -9.904 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.105 5.567 -7.687 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.253 5.500 -9.217 1.00 0.00 H new ATOM 0 HG LEU A 124 114.434 2.908 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.583 3.542 -6.209 1.00 0.00 H new ATOM 0 HD12 LEU A 124 114.034 4.522 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.670 5.218 -6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.089 2.756 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.178 4.435 -9.114 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.189 3.176 -9.864 1.00 0.00 H new ATOM 2012 N LYS A 125 116.288 6.248 -10.467 1.00 0.00 N ATOM 2013 CA LYS A 125 117.086 7.330 -11.112 1.00 0.00 C ATOM 2014 C LYS A 125 116.184 8.152 -12.036 1.00 0.00 C ATOM 2015 O LYS A 125 114.976 8.144 -11.907 1.00 0.00 O ATOM 2016 CB LYS A 125 118.219 6.707 -11.929 1.00 0.00 C ATOM 2017 CG LYS A 125 119.562 7.249 -11.437 1.00 0.00 C ATOM 2018 CD LYS A 125 119.934 8.495 -12.243 1.00 0.00 C ATOM 2019 CE LYS A 125 119.328 9.733 -11.580 1.00 0.00 C ATOM 2020 NZ LYS A 125 120.372 10.417 -10.764 1.00 0.00 N ATOM 0 H LYS A 125 115.281 6.304 -10.618 1.00 0.00 H new ATOM 0 HA LYS A 125 117.504 7.980 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.196 5.621 -11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 125 118.088 6.937 -12.986 1.00 0.00 H new ATOM 0 HG2 LYS A 125 119.501 7.493 -10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 125 120.335 6.488 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 125 121.018 8.594 -12.300 1.00 0.00 H new ATOM 0 HD3 LYS A 125 119.569 8.402 -13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 125 118.940 10.413 -12.339 1.00 0.00 H new ATOM 0 HE3 LYS A 125 118.487 9.446 -10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 119.963 11.259 -10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 120.722 9.767 -10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 121.161 10.703 -11.378 1.00 0.00 H new ATOM 2034 N GLU A 126 116.762 8.863 -12.966 1.00 0.00 N ATOM 2035 CA GLU A 126 115.936 9.685 -13.897 1.00 0.00 C ATOM 2036 C GLU A 126 115.356 8.789 -14.991 1.00 0.00 C ATOM 2037 O GLU A 126 114.424 9.157 -15.680 1.00 0.00 O ATOM 2038 CB GLU A 126 116.812 10.767 -14.536 1.00 0.00 C ATOM 2039 CG GLU A 126 116.276 12.149 -14.158 1.00 0.00 C ATOM 2040 CD GLU A 126 117.084 12.708 -12.987 1.00 0.00 C ATOM 2041 OE1 GLU A 126 118.296 12.775 -13.107 1.00 0.00 O ATOM 2042 OE2 GLU A 126 116.478 13.060 -11.988 1.00 0.00 O ATOM 0 H GLU A 126 117.769 8.910 -13.121 1.00 0.00 H new ATOM 0 HA GLU A 126 115.123 10.154 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.843 10.661 -14.199 1.00 0.00 H new ATOM 0 HB3 GLU A 126 116.818 10.652 -15.620 1.00 0.00 H new ATOM 0 HG2 GLU A 126 116.342 12.822 -15.013 1.00 0.00 H new ATOM 0 HG3 GLU A 126 115.223 12.080 -13.887 1.00 0.00 H new ATOM 2049 N HIS A 127 115.898 7.614 -15.158 1.00 0.00 N ATOM 2050 CA HIS A 127 115.377 6.694 -16.207 1.00 0.00 C ATOM 2051 C HIS A 127 114.181 5.916 -15.657 1.00 0.00 C ATOM 2052 O HIS A 127 113.500 5.214 -16.378 1.00 0.00 O ATOM 2053 CB HIS A 127 116.478 5.713 -16.615 1.00 0.00 C ATOM 2054 CG HIS A 127 117.153 5.175 -15.384 1.00 0.00 C ATOM 2055 ND1 HIS A 127 116.457 4.496 -14.396 1.00 0.00 N ATOM 2056 CD2 HIS A 127 118.460 5.210 -14.965 1.00 0.00 C ATOM 2057 CE1 HIS A 127 117.341 4.151 -13.442 1.00 0.00 C ATOM 2058 NE2 HIS A 127 118.576 4.562 -13.739 1.00 0.00 N ATOM 0 H HIS A 127 116.680 7.251 -14.613 1.00 0.00 H new ATOM 0 HA HIS A 127 115.064 7.274 -17.075 1.00 0.00 H new ATOM 0 HB2 HIS A 127 116.053 4.895 -17.197 1.00 0.00 H new ATOM 0 HB3 HIS A 127 117.207 6.213 -17.253 1.00 0.00 H new ATOM 0 HD2 HIS A 127 119.274 5.670 -15.505 1.00 0.00 H new ATOM 0 HE1 HIS A 127 117.083 3.608 -12.545 1.00 0.00 H new ATOM 0 HE2 HIS A 127 119.423 4.429 -13.186 1.00 0.00 H new ATOM 2066 N ASP A 128 113.918 6.033 -14.384 1.00 0.00 N ATOM 2067 CA ASP A 128 112.766 5.299 -13.792 1.00 0.00 C ATOM 2068 C ASP A 128 111.719 6.300 -13.302 1.00 0.00 C ATOM 2069 O ASP A 128 110.531 6.064 -13.393 1.00 0.00 O ATOM 2070 CB ASP A 128 113.253 4.448 -12.617 1.00 0.00 C ATOM 2071 CG ASP A 128 112.816 2.996 -12.821 1.00 0.00 C ATOM 2072 OD1 ASP A 128 113.490 2.294 -13.557 1.00 0.00 O ATOM 2073 OD2 ASP A 128 111.816 2.612 -12.239 1.00 0.00 O ATOM 0 H ASP A 128 114.451 6.605 -13.729 1.00 0.00 H new ATOM 0 HA ASP A 128 112.320 4.652 -14.547 1.00 0.00 H new ATOM 0 HB2 ASP A 128 114.339 4.504 -12.539 1.00 0.00 H new ATOM 0 HB3 ASP A 128 112.846 4.833 -11.682 1.00 0.00 H new ATOM 2078 N PHE A 129 112.151 7.417 -12.786 1.00 0.00 N ATOM 2079 CA PHE A 129 111.179 8.434 -12.291 1.00 0.00 C ATOM 2080 C PHE A 129 110.633 9.234 -13.475 1.00 0.00 C ATOM 2081 O PHE A 129 111.100 9.110 -14.590 1.00 0.00 O ATOM 2082 CB PHE A 129 111.882 9.381 -11.319 1.00 0.00 C ATOM 2083 CG PHE A 129 112.369 8.605 -10.121 1.00 0.00 C ATOM 2084 CD1 PHE A 129 111.483 7.789 -9.407 1.00 0.00 C ATOM 2085 CD2 PHE A 129 113.708 8.701 -9.721 1.00 0.00 C ATOM 2086 CE1 PHE A 129 111.933 7.071 -8.297 1.00 0.00 C ATOM 2087 CE2 PHE A 129 114.156 7.982 -8.608 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.269 7.168 -7.896 1.00 0.00 C ATOM 0 H PHE A 129 113.134 7.670 -12.685 1.00 0.00 H new ATOM 0 HA PHE A 129 110.357 7.933 -11.779 1.00 0.00 H new ATOM 0 HB2 PHE A 129 112.721 9.870 -11.814 1.00 0.00 H new ATOM 0 HB3 PHE A 129 111.197 10.167 -11.002 1.00 0.00 H new ATOM 0 HD1 PHE A 129 110.451 7.715 -9.715 1.00 0.00 H new ATOM 0 HD2 PHE A 129 114.393 9.329 -10.271 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.249 6.441 -7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 129 115.188 8.055 -8.298 1.00 0.00 H new ATOM 0 HZ PHE A 129 113.616 6.614 -7.036 1.00 0.00 H new ATOM 2098 N ASN A 130 109.645 10.056 -13.242 1.00 0.00 N ATOM 2099 CA ASN A 130 109.070 10.864 -14.354 1.00 0.00 C ATOM 2100 C ASN A 130 108.777 12.283 -13.857 1.00 0.00 C ATOM 2101 O ASN A 130 107.641 12.713 -13.850 1.00 0.00 O ATOM 2102 CB ASN A 130 107.770 10.216 -14.834 1.00 0.00 C ATOM 2103 CG ASN A 130 106.900 9.866 -13.624 1.00 0.00 C ATOM 2104 OD1 ASN A 130 107.286 8.922 -12.811 1.00 0.00 O flip ATOM 2105 ND2 ASN A 130 105.860 10.459 -13.419 1.00 0.00 N flip ATOM 0 H ASN A 130 109.212 10.202 -12.330 1.00 0.00 H new ATOM 0 HA ASN A 130 109.783 10.907 -15.178 1.00 0.00 H new ATOM 0 HB2 ASN A 130 107.235 10.896 -15.496 1.00 0.00 H new ATOM 0 HB3 ASN A 130 107.990 9.317 -15.410 1.00 0.00 H new ATOM 0 HD21 ASN A 130 105.560 11.197 -14.056 1.00 0.00 H new ATOM 0 HD22 ASN A 130 105.287 10.219 -12.610 1.00 0.00 H new ATOM 2112 N PRO A 131 109.817 12.968 -13.455 1.00 0.00 N ATOM 2113 CA PRO A 131 109.712 14.347 -12.948 1.00 0.00 C ATOM 2114 C PRO A 131 109.558 15.333 -14.111 1.00 0.00 C ATOM 2115 O PRO A 131 109.731 14.984 -15.261 1.00 0.00 O ATOM 2116 CB PRO A 131 111.043 14.564 -12.221 1.00 0.00 C ATOM 2117 CG PRO A 131 112.039 13.544 -12.821 1.00 0.00 C ATOM 2118 CD PRO A 131 111.194 12.431 -13.470 1.00 0.00 C ATOM 0 HA PRO A 131 108.848 14.502 -12.301 1.00 0.00 H new ATOM 0 HB2 PRO A 131 111.400 15.584 -12.361 1.00 0.00 H new ATOM 0 HB3 PRO A 131 110.929 14.411 -11.148 1.00 0.00 H new ATOM 0 HG2 PRO A 131 112.684 14.021 -13.559 1.00 0.00 H new ATOM 0 HG3 PRO A 131 112.688 13.136 -12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 131 111.528 12.218 -14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 131 111.264 11.499 -12.909 1.00 0.00 H new ATOM 2126 N GLU A 132 109.233 16.563 -13.819 1.00 0.00 N ATOM 2127 CA GLU A 132 109.069 17.567 -14.907 1.00 0.00 C ATOM 2128 C GLU A 132 109.239 18.975 -14.332 1.00 0.00 C ATOM 2129 O GLU A 132 108.673 19.312 -13.311 1.00 0.00 O ATOM 2130 CB GLU A 132 107.674 17.432 -15.521 1.00 0.00 C ATOM 2131 CG GLU A 132 106.626 17.965 -14.541 1.00 0.00 C ATOM 2132 CD GLU A 132 106.201 19.372 -14.964 1.00 0.00 C ATOM 2133 OE1 GLU A 132 106.521 19.757 -16.077 1.00 0.00 O ATOM 2134 OE2 GLU A 132 105.560 20.039 -14.169 1.00 0.00 O ATOM 0 H GLU A 132 109.074 16.915 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 132 109.822 17.395 -15.676 1.00 0.00 H new ATOM 0 HB2 GLU A 132 107.624 17.985 -16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 132 107.469 16.388 -15.756 1.00 0.00 H new ATOM 0 HG2 GLU A 132 105.761 17.303 -14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 132 107.034 17.985 -13.531 1.00 0.00 H new ATOM 2141 N SER A 133 110.016 19.800 -14.978 1.00 0.00 N ATOM 2142 CA SER A 133 110.223 21.184 -14.466 1.00 0.00 C ATOM 2143 C SER A 133 110.786 21.122 -13.045 1.00 0.00 C ATOM 2144 O SER A 133 110.997 20.060 -12.496 1.00 0.00 O ATOM 2145 CB SER A 133 108.887 21.927 -14.452 1.00 0.00 C ATOM 2146 OG SER A 133 108.393 22.032 -15.780 1.00 0.00 O ATOM 0 H SER A 133 110.516 19.576 -15.838 1.00 0.00 H new ATOM 0 HA SER A 133 110.925 21.710 -15.113 1.00 0.00 H new ATOM 0 HB2 SER A 133 108.170 21.396 -13.826 1.00 0.00 H new ATOM 0 HB3 SER A 133 109.014 22.920 -14.020 1.00 0.00 H new ATOM 0 HG SER A 133 107.762 21.303 -15.953 1.00 0.00 H new ATOM 2152 N SER A 134 111.034 22.254 -12.445 1.00 0.00 N ATOM 2153 CA SER A 134 111.584 22.258 -11.060 1.00 0.00 C ATOM 2154 C SER A 134 111.069 23.489 -10.312 1.00 0.00 C ATOM 2155 O SER A 134 110.996 23.429 -9.095 1.00 0.00 O ATOM 2156 CB SER A 134 113.111 22.298 -11.120 1.00 0.00 C ATOM 2157 OG SER A 134 113.643 21.643 -9.975 1.00 0.00 O ATOM 2158 OXT SER A 134 110.756 24.468 -10.967 1.00 0.00 O ATOM 0 H SER A 134 110.880 23.176 -12.854 1.00 0.00 H new ATOM 0 HA SER A 134 111.265 21.356 -10.538 1.00 0.00 H new ATOM 0 HB2 SER A 134 113.464 21.811 -12.029 1.00 0.00 H new ATOM 0 HB3 SER A 134 113.458 23.331 -11.157 1.00 0.00 H new ATOM 0 HG SER A 134 114.622 21.665 -10.011 1.00 0.00 H new TER 2164 SER A 134