USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 817 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 52 GLN : amide:sc= -2.67! K(o=-2.9!,f=-1.6) USER MOD Set 1.2: A 116 MET CE :methyl -165:sc= 0 (180deg=-0.184) USER MOD Set 1.3: A 121 GLN : amide:sc= -0.25 K(o=-2.9,f=-1.7) USER MOD Set 2.1: A 87 LYS NZ :NH3+ 153:sc= 0.434 (180deg=-0.638) USER MOD Set 2.2: A 89 CYS SG : rot 180:sc= -0.224 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 80:sc= 0.0731 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0122) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -3.89 K(o=-3.9,f=-8.2!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 9:sc= 1.27 USER MOD Single : A 95 CYS SG : rot 97:sc= 1 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= -0.0345 (180deg=-0.276) USER MOD Single : A 104 GLN : amide:sc= -0.496 X(o=-0.5,f=-0.044) USER MOD Single : A 105 SER OG : rot -27:sc= 0.32 USER MOD Single : A 108 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-5.4!) USER MOD Single : A 110 GLN : amide:sc= -1.95 X(o=-2,f=-1.9) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 31 2.934 0.123 -25.446 1.00 0.00 N ATOM 2 CA GLY A 31 2.722 0.860 -24.214 1.00 0.00 C ATOM 3 C GLY A 31 1.368 1.541 -24.172 1.00 0.00 C ATOM 4 O GLY A 31 1.006 2.274 -25.092 1.00 0.00 O ATOM 0 HA2 GLY A 31 2.809 0.179 -23.367 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.506 1.609 -24.103 1.00 0.00 H new ATOM 8 N SER A 32 0.618 1.297 -23.102 1.00 0.00 N ATOM 9 CA SER A 32 -0.706 1.888 -22.946 1.00 0.00 C ATOM 10 C SER A 32 -0.773 2.745 -21.686 1.00 0.00 C ATOM 11 O SER A 32 0.023 2.576 -20.763 1.00 0.00 O ATOM 12 CB SER A 32 -1.773 0.793 -22.890 1.00 0.00 C ATOM 13 OG SER A 32 -1.462 -0.171 -21.899 1.00 0.00 O ATOM 0 H SER A 32 0.905 0.694 -22.331 1.00 0.00 H new ATOM 0 HA SER A 32 -0.896 2.526 -23.809 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.745 1.238 -22.677 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.852 0.307 -23.863 1.00 0.00 H new ATOM 0 HG SER A 32 -2.160 -0.859 -21.882 1.00 0.00 H new ATOM 19 N SER A 33 -1.730 3.667 -21.655 1.00 0.00 N ATOM 20 CA SER A 33 -1.900 4.555 -20.511 1.00 0.00 C ATOM 21 C SER A 33 -0.557 5.113 -20.052 1.00 0.00 C ATOM 22 O SER A 33 -0.239 5.097 -18.863 1.00 0.00 O ATOM 23 CB SER A 33 -2.577 3.810 -19.358 1.00 0.00 C ATOM 24 OG SER A 33 -3.922 3.496 -19.674 1.00 0.00 O ATOM 0 H SER A 33 -2.400 3.818 -22.409 1.00 0.00 H new ATOM 0 HA SER A 33 -2.533 5.387 -20.819 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.028 2.894 -19.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.545 4.422 -18.457 1.00 0.00 H new ATOM 0 HG SER A 33 -4.332 3.019 -18.922 1.00 0.00 H new ATOM 30 N GLY A 34 0.228 5.607 -21.004 1.00 0.00 N ATOM 31 CA GLY A 34 1.529 6.164 -20.679 1.00 0.00 C ATOM 32 C GLY A 34 2.667 5.382 -21.304 1.00 0.00 C ATOM 33 O GLY A 34 2.882 5.447 -22.514 1.00 0.00 O ATOM 0 H GLY A 34 -0.013 5.632 -21.995 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.573 7.199 -21.019 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.654 6.179 -19.596 1.00 0.00 H new ATOM 37 N SER A 35 3.398 4.641 -20.478 1.00 0.00 N ATOM 38 CA SER A 35 4.524 3.848 -20.956 1.00 0.00 C ATOM 39 C SER A 35 5.526 4.722 -21.704 1.00 0.00 C ATOM 40 O SER A 35 6.058 4.327 -22.742 1.00 0.00 O ATOM 41 CB SER A 35 4.032 2.722 -21.868 1.00 0.00 C ATOM 42 OG SER A 35 3.100 1.892 -21.195 1.00 0.00 O ATOM 0 H SER A 35 3.231 4.573 -19.474 1.00 0.00 H new ATOM 0 HA SER A 35 5.023 3.413 -20.090 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.569 3.147 -22.759 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.880 2.125 -22.204 1.00 0.00 H new ATOM 0 HG SER A 35 2.220 2.323 -21.193 1.00 0.00 H new ATOM 48 N SER A 36 5.778 5.912 -21.169 1.00 0.00 N ATOM 49 CA SER A 36 6.713 6.845 -21.788 1.00 0.00 C ATOM 50 C SER A 36 7.996 6.952 -20.969 1.00 0.00 C ATOM 51 O SER A 36 9.092 6.726 -21.479 1.00 0.00 O ATOM 52 CB SER A 36 6.069 8.226 -21.930 1.00 0.00 C ATOM 53 OG SER A 36 6.755 9.011 -22.890 1.00 0.00 O ATOM 0 H SER A 36 5.348 6.253 -20.309 1.00 0.00 H new ATOM 0 HA SER A 36 6.965 6.465 -22.778 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.025 8.116 -22.224 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.076 8.735 -20.966 1.00 0.00 H new ATOM 0 HG SER A 36 6.324 9.888 -22.964 1.00 0.00 H new ATOM 59 N GLY A 37 7.849 7.299 -19.693 1.00 0.00 N ATOM 60 CA GLY A 37 9.003 7.430 -18.823 1.00 0.00 C ATOM 61 C GLY A 37 8.646 7.272 -17.358 1.00 0.00 C ATOM 62 O GLY A 37 7.862 6.395 -16.994 1.00 0.00 O ATOM 0 H GLY A 37 6.952 7.491 -19.247 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.746 6.681 -19.095 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.462 8.406 -18.979 1.00 0.00 H new ATOM 66 N VAL A 38 9.222 8.123 -16.515 1.00 0.00 N ATOM 67 CA VAL A 38 8.960 8.074 -15.081 1.00 0.00 C ATOM 68 C VAL A 38 7.574 8.618 -14.757 1.00 0.00 C ATOM 69 O VAL A 38 7.102 9.583 -15.359 1.00 0.00 O ATOM 70 CB VAL A 38 10.012 8.874 -14.291 1.00 0.00 C ATOM 71 CG1 VAL A 38 11.384 8.230 -14.424 1.00 0.00 C ATOM 72 CG2 VAL A 38 10.045 10.320 -14.762 1.00 0.00 C ATOM 0 H VAL A 38 9.873 8.855 -16.800 1.00 0.00 H new ATOM 0 HA VAL A 38 9.014 7.026 -14.785 1.00 0.00 H new ATOM 0 HB VAL A 38 9.734 8.865 -13.237 1.00 0.00 H new ATOM 0 HG11 VAL A 38 12.114 8.809 -13.859 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.348 7.213 -14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.674 8.206 -15.474 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.794 10.871 -14.193 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.298 10.352 -15.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.066 10.775 -14.609 1.00 0.00 H new ATOM 82 N PRO A 39 6.903 7.987 -13.782 1.00 0.00 N ATOM 83 CA PRO A 39 5.561 8.392 -13.354 1.00 0.00 C ATOM 84 C PRO A 39 5.565 9.729 -12.620 1.00 0.00 C ATOM 85 O PRO A 39 6.598 10.166 -12.113 1.00 0.00 O ATOM 86 CB PRO A 39 5.135 7.265 -12.409 1.00 0.00 C ATOM 87 CG PRO A 39 6.413 6.695 -11.899 1.00 0.00 C ATOM 88 CD PRO A 39 7.405 6.830 -13.021 1.00 0.00 C ATOM 0 HA PRO A 39 4.889 8.534 -14.200 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.517 7.644 -11.594 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.546 6.511 -12.932 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.752 7.230 -11.012 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.288 5.651 -11.613 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.414 7.002 -12.647 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.442 5.930 -13.635 1.00 0.00 H new ATOM 96 N MET A 40 4.404 10.373 -12.567 1.00 0.00 N ATOM 97 CA MET A 40 4.274 11.660 -11.894 1.00 0.00 C ATOM 98 C MET A 40 3.196 11.603 -10.816 1.00 0.00 C ATOM 99 O MET A 40 2.095 11.104 -11.050 1.00 0.00 O ATOM 100 CB MET A 40 3.943 12.758 -12.906 1.00 0.00 C ATOM 101 CG MET A 40 5.143 13.222 -13.714 1.00 0.00 C ATOM 102 SD MET A 40 4.678 14.251 -15.121 1.00 0.00 S ATOM 103 CE MET A 40 6.264 14.458 -15.927 1.00 0.00 C ATOM 0 H MET A 40 3.540 10.025 -12.982 1.00 0.00 H new ATOM 0 HA MET A 40 5.227 11.891 -11.418 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.176 12.392 -13.588 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.519 13.612 -12.378 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.817 13.782 -13.066 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.694 12.352 -14.071 1.00 0.00 H new ATOM 0 HE1 MET A 40 6.142 15.074 -16.818 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.959 14.944 -15.242 1.00 0.00 H new ATOM 0 HE3 MET A 40 6.657 13.482 -16.212 1.00 0.00 H new ATOM 113 N LYS A 41 3.520 12.117 -9.634 1.00 0.00 N ATOM 114 CA LYS A 41 2.580 12.126 -8.520 1.00 0.00 C ATOM 115 C LYS A 41 2.126 13.547 -8.202 1.00 0.00 C ATOM 116 O LYS A 41 2.487 14.495 -8.901 1.00 0.00 O ATOM 117 CB LYS A 41 3.219 11.495 -7.281 1.00 0.00 C ATOM 118 CG LYS A 41 4.493 12.190 -6.833 1.00 0.00 C ATOM 119 CD LYS A 41 5.257 11.355 -5.819 1.00 0.00 C ATOM 120 CE LYS A 41 4.501 11.247 -4.503 1.00 0.00 C ATOM 121 NZ LYS A 41 4.788 12.397 -3.602 1.00 0.00 N ATOM 0 H LYS A 41 4.427 12.533 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 41 1.707 11.541 -8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.499 11.512 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.440 10.448 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.127 12.383 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.246 13.158 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.430 10.358 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.236 11.801 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.430 11.200 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.773 10.317 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.254 12.286 -2.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.806 12.427 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.505 13.282 -4.068 1.00 0.00 H new ATOM 135 N ASP A 42 1.336 13.688 -7.144 1.00 0.00 N ATOM 136 CA ASP A 42 0.835 14.995 -6.732 1.00 0.00 C ATOM 137 C ASP A 42 1.751 15.622 -5.686 1.00 0.00 C ATOM 138 O ASP A 42 2.387 14.919 -4.900 1.00 0.00 O ATOM 139 CB ASP A 42 -0.584 14.869 -6.177 1.00 0.00 C ATOM 140 CG ASP A 42 -1.289 16.208 -6.080 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.612 16.786 -7.139 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.518 16.677 -4.946 1.00 0.00 O ATOM 0 H ASP A 42 1.028 12.914 -6.556 1.00 0.00 H new ATOM 0 HA ASP A 42 0.817 15.643 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.163 14.202 -6.816 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.545 14.410 -5.189 1.00 0.00 H new ATOM 147 N HIS A 43 1.813 16.950 -5.681 1.00 0.00 N ATOM 148 CA HIS A 43 2.652 17.673 -4.731 1.00 0.00 C ATOM 149 C HIS A 43 2.200 17.410 -3.298 1.00 0.00 C ATOM 150 O HIS A 43 3.008 17.422 -2.370 1.00 0.00 O ATOM 151 CB HIS A 43 2.613 19.173 -5.023 1.00 0.00 C ATOM 152 CG HIS A 43 1.362 19.844 -4.546 1.00 0.00 C ATOM 153 ND1 HIS A 43 0.099 19.424 -4.906 1.00 0.00 N ATOM 154 CD2 HIS A 43 1.184 20.910 -3.732 1.00 0.00 C ATOM 155 CE1 HIS A 43 -0.802 20.204 -4.335 1.00 0.00 C ATOM 156 NE2 HIS A 43 -0.169 21.114 -3.616 1.00 0.00 N ATOM 0 H HIS A 43 1.293 17.547 -6.324 1.00 0.00 H new ATOM 0 HA HIS A 43 3.676 17.315 -4.842 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.473 19.649 -4.552 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.712 19.328 -6.097 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.962 21.493 -3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.873 20.113 -4.438 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.613 21.848 -3.065 1.00 0.00 H new ATOM 165 N ASP A 44 0.904 17.172 -3.126 1.00 0.00 N ATOM 166 CA ASP A 44 0.345 16.905 -1.805 1.00 0.00 C ATOM 167 C ASP A 44 -0.191 15.479 -1.720 1.00 0.00 C ATOM 168 O ASP A 44 -1.154 15.210 -1.004 1.00 0.00 O ATOM 169 CB ASP A 44 -0.771 17.902 -1.490 1.00 0.00 C ATOM 170 CG ASP A 44 -0.241 19.202 -0.918 1.00 0.00 C ATOM 171 OD1 ASP A 44 0.873 19.610 -1.306 1.00 0.00 O ATOM 172 OD2 ASP A 44 -0.941 19.811 -0.081 1.00 0.00 O ATOM 0 H ASP A 44 0.221 17.158 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 44 1.142 17.019 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.334 18.111 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.466 17.453 -0.781 1.00 0.00 H new ATOM 177 N ALA A 45 0.440 14.571 -2.457 1.00 0.00 N ATOM 178 CA ALA A 45 0.027 13.173 -2.464 1.00 0.00 C ATOM 179 C ALA A 45 0.114 12.568 -1.067 1.00 0.00 C ATOM 180 O ALA A 45 0.536 13.231 -0.118 1.00 0.00 O ATOM 181 CB ALA A 45 0.880 12.376 -3.440 1.00 0.00 C ATOM 0 H ALA A 45 1.239 14.778 -3.057 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.013 13.129 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.561 11.334 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.764 12.786 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.927 12.436 -3.142 1.00 0.00 H new ATOM 187 N ILE A 46 -0.287 11.307 -0.947 1.00 0.00 N ATOM 188 CA ILE A 46 -0.254 10.613 0.335 1.00 0.00 C ATOM 189 C ILE A 46 0.135 9.149 0.158 1.00 0.00 C ATOM 190 O ILE A 46 -0.434 8.440 -0.673 1.00 0.00 O ATOM 191 CB ILE A 46 -1.615 10.689 1.051 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.129 12.130 1.065 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.497 10.149 2.469 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.531 12.265 1.617 1.00 0.00 C ATOM 0 H ILE A 46 -0.639 10.745 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 46 0.497 11.114 0.946 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.331 10.074 0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.452 12.743 1.660 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.107 12.525 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.467 10.209 2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.170 9.110 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.770 10.741 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.831 13.313 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.220 11.679 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.554 11.901 2.644 1.00 0.00 H new ATOM 206 N LYS A 47 1.106 8.701 0.945 1.00 0.00 N ATOM 207 CA LYS A 47 1.570 7.320 0.879 1.00 0.00 C ATOM 208 C LYS A 47 0.816 6.445 1.875 1.00 0.00 C ATOM 209 O LYS A 47 1.082 6.483 3.077 1.00 0.00 O ATOM 210 CB LYS A 47 3.073 7.252 1.160 1.00 0.00 C ATOM 211 CG LYS A 47 3.613 5.834 1.237 1.00 0.00 C ATOM 212 CD LYS A 47 5.104 5.820 1.528 1.00 0.00 C ATOM 213 CE LYS A 47 5.758 4.541 1.028 1.00 0.00 C ATOM 214 NZ LYS A 47 7.208 4.732 0.747 1.00 0.00 N ATOM 0 H LYS A 47 1.588 9.275 1.637 1.00 0.00 H new ATOM 0 HA LYS A 47 1.377 6.945 -0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.605 7.793 0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.282 7.763 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.084 5.284 2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.420 5.319 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.576 6.681 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.267 5.918 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.633 3.754 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.254 4.206 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.617 3.838 0.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.327 5.465 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.694 5.027 1.618 1.00 0.00 H new ATOM 228 N LEU A 48 -0.125 5.656 1.368 1.00 0.00 N ATOM 229 CA LEU A 48 -0.917 4.769 2.213 1.00 0.00 C ATOM 230 C LEU A 48 -0.135 3.507 2.562 1.00 0.00 C ATOM 231 O LEU A 48 0.687 3.037 1.775 1.00 0.00 O ATOM 232 CB LEU A 48 -2.224 4.396 1.511 1.00 0.00 C ATOM 233 CG LEU A 48 -3.273 5.504 1.412 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.320 5.155 0.366 1.00 0.00 C ATOM 235 CD2 LEU A 48 -3.926 5.743 2.765 1.00 0.00 C ATOM 0 H LEU A 48 -0.358 5.612 0.376 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.147 5.298 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.987 4.056 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.667 3.550 2.037 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.775 6.424 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.058 5.955 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.839 5.036 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.814 4.224 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.670 6.535 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.410 4.827 3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.166 6.039 3.488 1.00 0.00 H new ATOM 247 N PHE A 49 -0.399 2.961 3.744 1.00 0.00 N ATOM 248 CA PHE A 49 0.280 1.752 4.197 1.00 0.00 C ATOM 249 C PHE A 49 -0.730 0.679 4.594 1.00 0.00 C ATOM 250 O PHE A 49 -1.665 0.939 5.351 1.00 0.00 O ATOM 251 CB PHE A 49 1.196 2.069 5.380 1.00 0.00 C ATOM 252 CG PHE A 49 1.461 0.885 6.266 1.00 0.00 C ATOM 253 CD1 PHE A 49 0.618 0.594 7.326 1.00 0.00 C ATOM 254 CD2 PHE A 49 2.555 0.065 6.040 1.00 0.00 C ATOM 255 CE1 PHE A 49 0.858 -0.495 8.143 1.00 0.00 C ATOM 256 CE2 PHE A 49 2.800 -1.025 6.854 1.00 0.00 C ATOM 257 CZ PHE A 49 1.952 -1.305 7.907 1.00 0.00 C ATOM 0 H PHE A 49 -1.078 3.336 4.406 1.00 0.00 H new ATOM 0 HA PHE A 49 0.883 1.372 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.145 2.450 5.003 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.747 2.864 5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.237 1.226 7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.223 0.280 5.219 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.191 -0.712 8.964 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.655 -1.658 6.666 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.143 -2.155 8.545 1.00 0.00 H new ATOM 267 N VAL A 50 -0.533 -0.530 4.076 1.00 0.00 N ATOM 268 CA VAL A 50 -1.425 -1.644 4.376 1.00 0.00 C ATOM 269 C VAL A 50 -0.752 -2.653 5.300 1.00 0.00 C ATOM 270 O VAL A 50 0.398 -3.035 5.087 1.00 0.00 O ATOM 271 CB VAL A 50 -1.877 -2.363 3.091 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.783 -3.538 3.426 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.577 -1.389 2.155 1.00 0.00 C ATOM 0 H VAL A 50 0.236 -0.762 3.447 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.299 -1.225 4.875 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.994 -2.750 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.092 -4.033 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.243 -4.246 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.664 -3.178 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.890 -1.913 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.452 -0.971 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.892 -0.584 1.888 1.00 0.00 H new ATOM 283 N GLY A 51 -1.478 -3.082 6.328 1.00 0.00 N ATOM 284 CA GLY A 51 -0.935 -4.043 7.270 1.00 0.00 C ATOM 285 C GLY A 51 -1.787 -5.292 7.379 1.00 0.00 C ATOM 286 O GLY A 51 -1.873 -5.900 8.446 1.00 0.00 O ATOM 0 H GLY A 51 -2.432 -2.781 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.073 -4.320 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.851 -3.577 8.252 1.00 0.00 H new ATOM 290 N GLN A 52 -2.420 -5.674 6.274 1.00 0.00 N ATOM 291 CA GLN A 52 -3.271 -6.857 6.252 1.00 0.00 C ATOM 292 C GLN A 52 -2.982 -7.714 5.024 1.00 0.00 C ATOM 293 O GLN A 52 -3.897 -8.252 4.401 1.00 0.00 O ATOM 294 CB GLN A 52 -4.746 -6.450 6.269 1.00 0.00 C ATOM 295 CG GLN A 52 -5.675 -7.549 6.759 1.00 0.00 C ATOM 296 CD GLN A 52 -5.715 -7.648 8.271 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.520 -8.723 8.840 1.00 0.00 O ATOM 298 NE2 GLN A 52 -5.969 -6.525 8.932 1.00 0.00 N ATOM 0 H GLN A 52 -2.359 -5.181 5.383 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.053 -7.447 7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.865 -5.574 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.045 -6.155 5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.681 -7.363 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.352 -8.504 6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.124 -5.656 8.421 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.009 -6.531 9.951 1.00 0.00 H new ATOM 307 N ILE A 53 -1.704 -7.835 4.682 1.00 0.00 N ATOM 308 CA ILE A 53 -1.294 -8.627 3.529 1.00 0.00 C ATOM 309 C ILE A 53 -0.789 -10.001 3.957 1.00 0.00 C ATOM 310 O ILE A 53 0.243 -10.133 4.615 1.00 0.00 O ATOM 311 CB ILE A 53 -0.192 -7.917 2.721 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.612 -6.481 2.398 1.00 0.00 C ATOM 313 CG2 ILE A 53 0.107 -8.686 1.443 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.529 -5.612 1.917 1.00 0.00 C ATOM 0 H ILE A 53 -0.935 -7.395 5.187 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.176 -8.746 2.899 1.00 0.00 H new ATOM 0 HB ILE A 53 0.716 -7.884 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.390 -6.501 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.051 -6.030 3.288 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.888 -8.171 0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.443 -9.692 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.796 -8.746 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.159 -4.609 1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.298 -5.561 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.954 -6.039 1.009 1.00 0.00 H new ATOM 326 N PRO A 54 -1.532 -11.050 3.573 1.00 0.00 N ATOM 327 CA PRO A 54 -1.178 -12.433 3.904 1.00 0.00 C ATOM 328 C PRO A 54 0.060 -12.910 3.153 1.00 0.00 C ATOM 329 O PRO A 54 0.779 -12.112 2.551 1.00 0.00 O ATOM 330 CB PRO A 54 -2.409 -13.229 3.465 1.00 0.00 C ATOM 331 CG PRO A 54 -3.041 -12.396 2.404 1.00 0.00 C ATOM 332 CD PRO A 54 -2.774 -10.966 2.787 1.00 0.00 C ATOM 0 HA PRO A 54 -0.932 -12.549 4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -2.130 -14.211 3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.092 -13.393 4.298 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.618 -12.623 1.425 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.112 -12.590 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.652 -10.331 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.593 -10.547 3.372 1.00 0.00 H new ATOM 340 N ARG A 55 0.304 -14.216 3.191 1.00 0.00 N ATOM 341 CA ARG A 55 1.456 -14.799 2.515 1.00 0.00 C ATOM 342 C ARG A 55 1.024 -15.570 1.271 1.00 0.00 C ATOM 343 O ARG A 55 0.104 -16.386 1.322 1.00 0.00 O ATOM 344 CB ARG A 55 2.217 -15.727 3.464 1.00 0.00 C ATOM 345 CG ARG A 55 1.325 -16.428 4.475 1.00 0.00 C ATOM 346 CD ARG A 55 1.070 -15.556 5.694 1.00 0.00 C ATOM 347 NE ARG A 55 2.090 -15.741 6.722 1.00 0.00 N ATOM 348 CZ ARG A 55 1.953 -15.327 7.977 1.00 0.00 C ATOM 349 NH1 ARG A 55 0.844 -14.708 8.356 1.00 0.00 N ATOM 350 NH2 ARG A 55 2.926 -15.533 8.855 1.00 0.00 N ATOM 0 H ARG A 55 -0.282 -14.891 3.683 1.00 0.00 H new ATOM 0 HA ARG A 55 2.114 -13.986 2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.747 -16.478 2.877 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.971 -15.148 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.375 -16.686 4.006 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.791 -17.363 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.045 -14.509 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.090 -15.791 6.109 1.00 0.00 H new ATOM 0 HE ARG A 55 2.956 -16.214 6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.094 -14.549 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.741 -14.391 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.780 -16.010 8.567 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.820 -15.215 9.818 1.00 0.00 H new ATOM 364 N GLY A 56 1.694 -15.306 0.153 1.00 0.00 N ATOM 365 CA GLY A 56 1.364 -15.982 -1.087 1.00 0.00 C ATOM 366 C GLY A 56 0.979 -15.016 -2.190 1.00 0.00 C ATOM 367 O GLY A 56 0.956 -15.381 -3.366 1.00 0.00 O ATOM 0 H GLY A 56 2.460 -14.636 0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.218 -16.577 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.541 -16.675 -0.912 1.00 0.00 H new ATOM 371 N LEU A 57 0.673 -13.780 -1.811 1.00 0.00 N ATOM 372 CA LEU A 57 0.285 -12.758 -2.776 1.00 0.00 C ATOM 373 C LEU A 57 1.434 -11.789 -3.035 1.00 0.00 C ATOM 374 O LEU A 57 2.497 -11.893 -2.423 1.00 0.00 O ATOM 375 CB LEU A 57 -0.940 -11.992 -2.273 1.00 0.00 C ATOM 376 CG LEU A 57 -2.124 -12.845 -1.815 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.266 -11.961 -1.338 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.588 -13.759 -2.940 1.00 0.00 C ATOM 0 H LEU A 57 0.686 -13.462 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 57 0.035 -13.255 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.631 -11.359 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.281 -11.330 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.800 -13.465 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.099 -12.585 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.927 -11.349 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.591 -11.315 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.431 -14.359 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.895 -13.157 -3.795 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.771 -14.417 -3.235 1.00 0.00 H new ATOM 390 N ASP A 58 1.212 -10.845 -3.944 1.00 0.00 N ATOM 391 CA ASP A 58 2.228 -9.855 -4.281 1.00 0.00 C ATOM 392 C ASP A 58 1.584 -8.569 -4.792 1.00 0.00 C ATOM 393 O ASP A 58 0.361 -8.465 -4.870 1.00 0.00 O ATOM 394 CB ASP A 58 3.185 -10.414 -5.335 1.00 0.00 C ATOM 395 CG ASP A 58 3.581 -11.850 -5.054 1.00 0.00 C ATOM 396 OD1 ASP A 58 2.850 -12.763 -5.493 1.00 0.00 O ATOM 397 OD2 ASP A 58 4.620 -12.061 -4.396 1.00 0.00 O ATOM 0 H ASP A 58 0.338 -10.745 -4.460 1.00 0.00 H new ATOM 0 HA ASP A 58 2.791 -9.625 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.714 -10.355 -6.316 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.081 -9.794 -5.374 1.00 0.00 H new ATOM 402 N GLU A 59 2.418 -7.593 -5.137 1.00 0.00 N ATOM 403 CA GLU A 59 1.929 -6.314 -5.638 1.00 0.00 C ATOM 404 C GLU A 59 1.032 -6.513 -6.856 1.00 0.00 C ATOM 405 O GLU A 59 0.215 -5.654 -7.185 1.00 0.00 O ATOM 406 CB GLU A 59 3.102 -5.401 -6.000 1.00 0.00 C ATOM 407 CG GLU A 59 4.109 -5.228 -4.875 1.00 0.00 C ATOM 408 CD GLU A 59 5.428 -4.654 -5.355 1.00 0.00 C ATOM 409 OE1 GLU A 59 5.444 -4.021 -6.431 1.00 0.00 O ATOM 410 OE2 GLU A 59 6.444 -4.839 -4.653 1.00 0.00 O ATOM 0 H GLU A 59 3.434 -7.663 -5.079 1.00 0.00 H new ATOM 0 HA GLU A 59 1.342 -5.845 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.612 -5.808 -6.873 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.715 -4.422 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.688 -4.572 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.288 -6.193 -4.401 1.00 0.00 H new ATOM 417 N GLN A 60 1.191 -7.654 -7.520 1.00 0.00 N ATOM 418 CA GLN A 60 0.396 -7.966 -8.702 1.00 0.00 C ATOM 419 C GLN A 60 -1.018 -8.386 -8.313 1.00 0.00 C ATOM 420 O GLN A 60 -1.938 -8.336 -9.129 1.00 0.00 O ATOM 421 CB GLN A 60 1.065 -9.076 -9.514 1.00 0.00 C ATOM 422 CG GLN A 60 2.443 -8.702 -10.037 1.00 0.00 C ATOM 423 CD GLN A 60 2.411 -7.495 -10.955 1.00 0.00 C ATOM 424 OE1 GLN A 60 2.104 -6.383 -10.526 1.00 0.00 O ATOM 425 NE2 GLN A 60 2.729 -7.710 -12.226 1.00 0.00 N ATOM 0 H GLN A 60 1.862 -8.377 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 60 0.332 -7.066 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.151 -9.968 -8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.424 -9.335 -10.357 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.103 -8.496 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.866 -9.551 -10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.977 -8.649 -12.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.725 -6.936 -12.891 1.00 0.00 H new ATOM 434 N ASP A 61 -1.182 -8.799 -7.061 1.00 0.00 N ATOM 435 CA ASP A 61 -2.484 -9.228 -6.562 1.00 0.00 C ATOM 436 C ASP A 61 -3.172 -8.100 -5.799 1.00 0.00 C ATOM 437 O ASP A 61 -4.366 -8.172 -5.507 1.00 0.00 O ATOM 438 CB ASP A 61 -2.330 -10.452 -5.659 1.00 0.00 C ATOM 439 CG ASP A 61 -1.982 -11.706 -6.437 1.00 0.00 C ATOM 440 OD1 ASP A 61 -2.473 -11.853 -7.575 1.00 0.00 O ATOM 441 OD2 ASP A 61 -1.218 -12.541 -5.908 1.00 0.00 O ATOM 0 H ASP A 61 -0.430 -8.846 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.104 -9.494 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.552 -10.259 -4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.258 -10.614 -5.110 1.00 0.00 H new ATOM 446 N LEU A 62 -2.410 -7.060 -5.477 1.00 0.00 N ATOM 447 CA LEU A 62 -2.945 -5.917 -4.746 1.00 0.00 C ATOM 448 C LEU A 62 -3.301 -4.780 -5.699 1.00 0.00 C ATOM 449 O LEU A 62 -4.202 -3.986 -5.427 1.00 0.00 O ATOM 450 CB LEU A 62 -1.932 -5.430 -3.709 1.00 0.00 C ATOM 451 CG LEU A 62 -1.535 -6.441 -2.632 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.343 -5.934 -1.837 1.00 0.00 C ATOM 453 CD2 LEU A 62 -2.711 -6.728 -1.710 1.00 0.00 C ATOM 0 H LEU A 62 -1.420 -6.985 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.853 -6.236 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.030 -5.114 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.341 -4.547 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.249 -7.371 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.075 -6.667 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.503 -5.781 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.601 -4.990 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.410 -7.449 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.029 -5.804 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.538 -7.137 -2.291 1.00 0.00 H new ATOM 465 N LYS A 63 -2.589 -4.708 -6.818 1.00 0.00 N ATOM 466 CA LYS A 63 -2.830 -3.671 -7.814 1.00 0.00 C ATOM 467 C LYS A 63 -4.283 -3.691 -8.278 1.00 0.00 C ATOM 468 O LYS A 63 -4.941 -2.655 -8.381 1.00 0.00 O ATOM 469 CB LYS A 63 -1.898 -3.859 -9.013 1.00 0.00 C ATOM 470 CG LYS A 63 -0.604 -3.071 -8.906 1.00 0.00 C ATOM 471 CD LYS A 63 0.420 -3.540 -9.926 1.00 0.00 C ATOM 472 CE LYS A 63 1.669 -2.672 -9.902 1.00 0.00 C ATOM 473 NZ LYS A 63 2.669 -3.166 -8.916 1.00 0.00 N ATOM 0 H LYS A 63 -1.839 -5.356 -7.058 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.627 -2.705 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.661 -4.918 -9.116 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.422 -3.560 -9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.809 -2.011 -9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.194 -3.178 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.691 -4.576 -9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.021 -3.517 -10.923 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.117 -2.653 -10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.394 -1.646 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.556 -2.633 -9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.301 -3.034 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.850 -4.177 -9.082 1.00 0.00 H new ATOM 487 N PRO A 64 -4.798 -4.896 -8.564 1.00 0.00 N ATOM 488 CA PRO A 64 -6.179 -5.079 -9.020 1.00 0.00 C ATOM 489 C PRO A 64 -7.180 -4.321 -8.156 1.00 0.00 C ATOM 490 O PRO A 64 -8.029 -3.589 -8.667 1.00 0.00 O ATOM 491 CB PRO A 64 -6.397 -6.588 -8.893 1.00 0.00 C ATOM 492 CG PRO A 64 -5.035 -7.180 -9.011 1.00 0.00 C ATOM 493 CD PRO A 64 -4.071 -6.172 -8.464 1.00 0.00 C ATOM 0 HA PRO A 64 -6.329 -4.696 -10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.858 -6.842 -7.938 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.059 -6.959 -9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.972 -8.116 -8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.803 -7.411 -10.051 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.800 -6.397 -7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.146 -6.151 -9.040 1.00 0.00 H new ATOM 501 N LEU A 65 -7.076 -4.499 -6.844 1.00 0.00 N ATOM 502 CA LEU A 65 -7.973 -3.831 -5.907 1.00 0.00 C ATOM 503 C LEU A 65 -7.708 -2.329 -5.876 1.00 0.00 C ATOM 504 O LEU A 65 -8.627 -1.523 -6.016 1.00 0.00 O ATOM 505 CB LEU A 65 -7.807 -4.418 -4.504 1.00 0.00 C ATOM 506 CG LEU A 65 -8.496 -5.760 -4.253 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.035 -6.358 -2.933 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.008 -5.595 -4.266 1.00 0.00 C ATOM 0 H LEU A 65 -6.379 -5.100 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.997 -3.994 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.742 -4.536 -4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.188 -3.696 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.219 -6.444 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.536 -7.313 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.957 -6.514 -2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.282 -5.676 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.481 -6.560 -4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.304 -4.894 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.324 -5.212 -5.236 1.00 0.00 H new ATOM 520 N PHE A 66 -6.444 -1.960 -5.695 1.00 0.00 N ATOM 521 CA PHE A 66 -6.057 -0.555 -5.647 1.00 0.00 C ATOM 522 C PHE A 66 -6.395 0.147 -6.959 1.00 0.00 C ATOM 523 O PHE A 66 -6.573 1.364 -6.995 1.00 0.00 O ATOM 524 CB PHE A 66 -4.560 -0.426 -5.358 1.00 0.00 C ATOM 525 CG PHE A 66 -4.159 -0.975 -4.018 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.947 -0.754 -2.900 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.994 -1.712 -3.878 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.579 -1.258 -1.667 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.622 -2.219 -2.646 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.416 -1.992 -1.540 1.00 0.00 C ATOM 0 H PHE A 66 -5.670 -2.615 -5.579 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.618 -0.077 -4.844 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.002 -0.946 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.277 0.625 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.858 -0.182 -2.993 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.369 -1.893 -4.740 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.201 -1.078 -0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.711 -2.792 -2.550 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.128 -2.388 -0.577 1.00 0.00 H new ATOM 540 N GLU A 67 -6.481 -0.630 -8.034 1.00 0.00 N ATOM 541 CA GLU A 67 -6.796 -0.083 -9.348 1.00 0.00 C ATOM 542 C GLU A 67 -8.299 0.137 -9.500 1.00 0.00 C ATOM 543 O GLU A 67 -8.762 0.635 -10.525 1.00 0.00 O ATOM 544 CB GLU A 67 -6.292 -1.018 -10.449 1.00 0.00 C ATOM 545 CG GLU A 67 -4.861 -0.740 -10.877 1.00 0.00 C ATOM 546 CD GLU A 67 -4.461 -1.516 -12.117 1.00 0.00 C ATOM 547 OE1 GLU A 67 -5.283 -1.605 -13.053 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.326 -2.035 -12.150 1.00 0.00 O ATOM 0 H GLU A 67 -6.337 -1.640 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.294 0.880 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.364 -2.048 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.946 -0.929 -11.317 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.743 0.327 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.186 -0.995 -10.060 1.00 0.00 H new ATOM 555 N GLU A 68 -9.053 -0.240 -8.472 1.00 0.00 N ATOM 556 CA GLU A 68 -10.503 -0.086 -8.492 1.00 0.00 C ATOM 557 C GLU A 68 -10.904 1.333 -8.101 1.00 0.00 C ATOM 558 O GLU A 68 -12.050 1.741 -8.291 1.00 0.00 O ATOM 559 CB GLU A 68 -11.158 -1.093 -7.545 1.00 0.00 C ATOM 560 CG GLU A 68 -12.660 -1.222 -7.738 1.00 0.00 C ATOM 561 CD GLU A 68 -13.181 -2.595 -7.359 1.00 0.00 C ATOM 562 OE1 GLU A 68 -12.429 -3.579 -7.520 1.00 0.00 O ATOM 563 OE2 GLU A 68 -14.340 -2.685 -6.903 1.00 0.00 O ATOM 0 H GLU A 68 -8.684 -0.654 -7.616 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.849 -0.276 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.696 -2.070 -7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.957 -0.795 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.166 -0.467 -7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.908 -1.018 -8.780 1.00 0.00 H new ATOM 570 N PHE A 69 -9.953 2.080 -7.551 1.00 0.00 N ATOM 571 CA PHE A 69 -10.206 3.453 -7.130 1.00 0.00 C ATOM 572 C PHE A 69 -9.518 4.444 -8.064 1.00 0.00 C ATOM 573 O PHE A 69 -10.011 5.549 -8.288 1.00 0.00 O ATOM 574 CB PHE A 69 -9.722 3.667 -5.695 1.00 0.00 C ATOM 575 CG PHE A 69 -10.451 2.827 -4.685 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.735 3.160 -4.285 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.852 1.705 -4.136 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.407 2.389 -3.356 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.519 0.930 -3.207 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.799 1.272 -2.817 1.00 0.00 C ATOM 0 H PHE A 69 -8.999 1.758 -7.386 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.281 3.627 -7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.657 3.442 -5.642 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.839 4.719 -5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.216 4.032 -4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.851 1.433 -4.438 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.407 2.660 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.040 0.058 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.324 0.667 -2.092 1.00 0.00 H new ATOM 590 N GLY A 70 -8.373 4.040 -8.607 1.00 0.00 N ATOM 591 CA GLY A 70 -7.634 4.903 -9.509 1.00 0.00 C ATOM 592 C GLY A 70 -6.301 4.309 -9.918 1.00 0.00 C ATOM 593 O GLY A 70 -6.015 3.148 -9.625 1.00 0.00 O ATOM 0 H GLY A 70 -7.944 3.130 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.233 5.090 -10.400 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.467 5.867 -9.029 1.00 0.00 H new ATOM 597 N ARG A 71 -5.484 5.106 -10.600 1.00 0.00 N ATOM 598 CA ARG A 71 -4.175 4.650 -11.053 1.00 0.00 C ATOM 599 C ARG A 71 -3.146 4.752 -9.931 1.00 0.00 C ATOM 600 O ARG A 71 -3.024 5.790 -9.280 1.00 0.00 O ATOM 601 CB ARG A 71 -3.715 5.472 -12.258 1.00 0.00 C ATOM 602 CG ARG A 71 -2.817 4.703 -13.213 1.00 0.00 C ATOM 603 CD ARG A 71 -3.626 3.986 -14.282 1.00 0.00 C ATOM 604 NE ARG A 71 -4.403 2.879 -13.731 1.00 0.00 N ATOM 605 CZ ARG A 71 -5.487 2.380 -14.313 1.00 0.00 C ATOM 606 NH1 ARG A 71 -5.921 2.886 -15.459 1.00 0.00 N ATOM 607 NH2 ARG A 71 -6.140 1.371 -13.750 1.00 0.00 N ATOM 0 H ARG A 71 -5.705 6.070 -10.851 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.263 3.604 -11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.591 5.825 -12.802 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.183 6.354 -11.903 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.114 5.389 -13.686 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.226 3.977 -12.654 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.298 4.696 -14.765 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.954 3.609 -15.053 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.096 2.466 -12.850 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -5.422 3.661 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.754 2.500 -15.904 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.809 0.978 -12.869 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.973 0.989 -14.198 1.00 0.00 H new ATOM 621 N ILE A 72 -2.409 3.668 -9.711 1.00 0.00 N ATOM 622 CA ILE A 72 -1.391 3.636 -8.669 1.00 0.00 C ATOM 623 C ILE A 72 -0.108 4.318 -9.132 1.00 0.00 C ATOM 624 O ILE A 72 0.188 4.361 -10.327 1.00 0.00 O ATOM 625 CB ILE A 72 -1.066 2.192 -8.244 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.324 1.497 -7.718 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.030 2.184 -7.189 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.184 -0.006 -7.612 1.00 0.00 C ATOM 0 H ILE A 72 -2.498 2.801 -10.241 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.798 4.175 -7.814 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.708 1.644 -9.116 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.569 1.901 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.161 1.730 -8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.248 1.156 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.930 2.645 -7.596 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.302 2.745 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.113 -0.432 -7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.969 -0.422 -8.596 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.369 -0.248 -6.930 1.00 0.00 H new ATOM 640 N TYR A 73 0.651 4.848 -8.180 1.00 0.00 N ATOM 641 CA TYR A 73 1.902 5.529 -8.490 1.00 0.00 C ATOM 642 C TYR A 73 3.101 4.665 -8.110 1.00 0.00 C ATOM 643 O TYR A 73 4.111 4.643 -8.814 1.00 0.00 O ATOM 644 CB TYR A 73 1.973 6.870 -7.757 1.00 0.00 C ATOM 645 CG TYR A 73 3.276 7.607 -7.968 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.384 7.340 -7.173 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.399 8.571 -8.960 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.577 8.011 -7.361 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.588 9.247 -9.157 1.00 0.00 C ATOM 650 CZ TYR A 73 5.674 8.963 -8.355 1.00 0.00 C ATOM 651 OH TYR A 73 6.860 9.635 -8.546 1.00 0.00 O ATOM 0 H TYR A 73 0.422 4.819 -7.187 1.00 0.00 H new ATOM 0 HA TYR A 73 1.932 5.708 -9.565 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.150 7.501 -8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.830 6.699 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.311 6.595 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.550 8.796 -9.589 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.428 7.792 -6.734 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.667 9.993 -9.934 1.00 0.00 H new ATOM 0 HH TYR A 73 6.761 10.270 -9.286 1.00 0.00 H new ATOM 661 N GLU A 74 2.980 3.955 -6.993 1.00 0.00 N ATOM 662 CA GLU A 74 4.054 3.089 -6.520 1.00 0.00 C ATOM 663 C GLU A 74 3.527 2.070 -5.513 1.00 0.00 C ATOM 664 O GLU A 74 2.717 2.400 -4.645 1.00 0.00 O ATOM 665 CB GLU A 74 5.168 3.922 -5.883 1.00 0.00 C ATOM 666 CG GLU A 74 6.388 3.107 -5.489 1.00 0.00 C ATOM 667 CD GLU A 74 7.332 2.870 -6.652 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.457 3.772 -7.507 1.00 0.00 O ATOM 669 OE2 GLU A 74 7.945 1.784 -6.707 1.00 0.00 O ATOM 0 H GLU A 74 2.151 3.962 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 74 4.458 2.552 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.472 4.701 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.775 4.423 -4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.923 3.623 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.065 2.147 -5.087 1.00 0.00 H new ATOM 676 N LEU A 75 3.991 0.832 -5.635 1.00 0.00 N ATOM 677 CA LEU A 75 3.568 -0.236 -4.737 1.00 0.00 C ATOM 678 C LEU A 75 4.745 -1.129 -4.358 1.00 0.00 C ATOM 679 O LEU A 75 5.266 -1.874 -5.188 1.00 0.00 O ATOM 680 CB LEU A 75 2.468 -1.074 -5.392 1.00 0.00 C ATOM 681 CG LEU A 75 1.840 -2.159 -4.516 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.321 -1.563 -3.217 1.00 0.00 C ATOM 683 CD2 LEU A 75 0.720 -2.866 -5.265 1.00 0.00 C ATOM 0 H LEU A 75 4.661 0.543 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 75 3.176 0.222 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.677 -0.402 -5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.881 -1.548 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 75 2.608 -2.893 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.878 -2.350 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.146 -1.103 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.567 -0.808 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.284 -3.635 -4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.048 -2.143 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.121 -3.328 -6.167 1.00 0.00 H new ATOM 695 N THR A 76 5.160 -1.049 -3.097 1.00 0.00 N ATOM 696 CA THR A 76 6.275 -1.849 -2.608 1.00 0.00 C ATOM 697 C THR A 76 5.854 -2.714 -1.425 1.00 0.00 C ATOM 698 O THR A 76 5.155 -2.251 -0.523 1.00 0.00 O ATOM 699 CB THR A 76 7.461 -0.962 -2.184 1.00 0.00 C ATOM 700 OG1 THR A 76 8.163 -0.497 -3.342 1.00 0.00 O ATOM 701 CG2 THR A 76 8.415 -1.728 -1.280 1.00 0.00 C ATOM 0 H THR A 76 4.740 -0.438 -2.397 1.00 0.00 H new ATOM 0 HA THR A 76 6.588 -2.491 -3.432 1.00 0.00 H new ATOM 0 HB THR A 76 7.068 -0.109 -1.630 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.914 0.068 -3.064 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.244 -1.081 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.885 -2.055 -0.386 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.801 -2.598 -1.812 1.00 0.00 H new ATOM 709 N VAL A 77 6.284 -3.971 -1.434 1.00 0.00 N ATOM 710 CA VAL A 77 5.953 -4.900 -0.360 1.00 0.00 C ATOM 711 C VAL A 77 7.087 -4.995 0.655 1.00 0.00 C ATOM 712 O VAL A 77 8.257 -5.104 0.286 1.00 0.00 O ATOM 713 CB VAL A 77 5.651 -6.308 -0.908 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.395 -7.282 0.232 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.465 -6.265 -1.860 1.00 0.00 C ATOM 0 H VAL A 77 6.863 -4.370 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 77 5.061 -4.510 0.131 1.00 0.00 H new ATOM 0 HB VAL A 77 6.522 -6.657 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.184 -8.271 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.276 -7.334 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.541 -6.941 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.265 -7.268 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.587 -5.895 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.692 -5.601 -2.694 1.00 0.00 H new ATOM 725 N LEU A 78 6.734 -4.952 1.934 1.00 0.00 N ATOM 726 CA LEU A 78 7.722 -5.034 3.004 1.00 0.00 C ATOM 727 C LEU A 78 8.028 -6.487 3.354 1.00 0.00 C ATOM 728 O LEU A 78 7.130 -7.258 3.693 1.00 0.00 O ATOM 729 CB LEU A 78 7.222 -4.293 4.245 1.00 0.00 C ATOM 730 CG LEU A 78 7.075 -2.777 4.108 1.00 0.00 C ATOM 731 CD1 LEU A 78 5.986 -2.261 5.036 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.398 -2.085 4.398 1.00 0.00 C ATOM 0 H LEU A 78 5.771 -4.861 2.256 1.00 0.00 H new ATOM 0 HA LEU A 78 8.640 -4.564 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.254 -4.708 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.908 -4.499 5.067 1.00 0.00 H new ATOM 0 HG LEU A 78 6.787 -2.550 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.895 -1.180 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.037 -2.733 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.244 -2.499 6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.275 -1.007 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.716 -2.319 5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.153 -2.432 3.692 1.00 0.00 H new ATOM 744 N LYS A 79 9.302 -6.854 3.272 1.00 0.00 N ATOM 745 CA LYS A 79 9.728 -8.214 3.582 1.00 0.00 C ATOM 746 C LYS A 79 10.916 -8.206 4.540 1.00 0.00 C ATOM 747 O LYS A 79 11.773 -7.325 4.473 1.00 0.00 O ATOM 748 CB LYS A 79 10.100 -8.960 2.299 1.00 0.00 C ATOM 749 CG LYS A 79 8.919 -9.207 1.376 1.00 0.00 C ATOM 750 CD LYS A 79 9.126 -10.451 0.527 1.00 0.00 C ATOM 751 CE LYS A 79 9.870 -10.130 -0.760 1.00 0.00 C ATOM 752 NZ LYS A 79 10.685 -11.284 -1.232 1.00 0.00 N ATOM 0 H LYS A 79 10.058 -6.229 2.993 1.00 0.00 H new ATOM 0 HA LYS A 79 8.896 -8.727 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.857 -8.388 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.551 -9.917 2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.010 -9.316 1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.775 -8.343 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.686 -11.193 1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.160 -10.895 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.154 -9.850 -1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.519 -9.269 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.177 -11.025 -2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.385 -11.535 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.063 -12.099 -1.410 1.00 0.00 H new ATOM 766 N ASP A 80 10.959 -9.192 5.429 1.00 0.00 N ATOM 767 CA ASP A 80 12.043 -9.300 6.399 1.00 0.00 C ATOM 768 C ASP A 80 13.400 -9.257 5.704 1.00 0.00 C ATOM 769 O ASP A 80 13.479 -9.149 4.480 1.00 0.00 O ATOM 770 CB ASP A 80 11.908 -10.594 7.203 1.00 0.00 C ATOM 771 CG ASP A 80 11.080 -10.411 8.460 1.00 0.00 C ATOM 772 OD1 ASP A 80 10.272 -9.459 8.505 1.00 0.00 O ATOM 773 OD2 ASP A 80 11.237 -11.221 9.397 1.00 0.00 O ATOM 0 H ASP A 80 10.256 -9.928 5.498 1.00 0.00 H new ATOM 0 HA ASP A 80 11.976 -8.450 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.450 -11.360 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.900 -10.955 7.474 1.00 0.00 H new ATOM 778 N ARG A 81 14.466 -9.342 6.493 1.00 0.00 N ATOM 779 CA ARG A 81 15.820 -9.311 5.954 1.00 0.00 C ATOM 780 C ARG A 81 16.565 -10.603 6.278 1.00 0.00 C ATOM 781 O ARG A 81 16.958 -11.347 5.378 1.00 0.00 O ATOM 782 CB ARG A 81 16.588 -8.113 6.516 1.00 0.00 C ATOM 783 CG ARG A 81 17.841 -7.768 5.728 1.00 0.00 C ATOM 784 CD ARG A 81 18.932 -8.807 5.933 1.00 0.00 C ATOM 785 NE ARG A 81 20.193 -8.406 5.315 1.00 0.00 N ATOM 786 CZ ARG A 81 21.192 -9.247 5.070 1.00 0.00 C ATOM 787 NH1 ARG A 81 21.076 -10.529 5.388 1.00 0.00 N ATOM 788 NH2 ARG A 81 22.308 -8.806 4.505 1.00 0.00 N ATOM 0 H ARG A 81 14.418 -9.433 7.508 1.00 0.00 H new ATOM 0 HA ARG A 81 15.750 -9.214 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.929 -7.245 6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.865 -8.322 7.549 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.598 -7.699 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 81 18.207 -6.789 6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 81 19.086 -8.965 7.000 1.00 0.00 H new ATOM 0 HD3 ARG A 81 18.609 -9.759 5.513 1.00 0.00 H new ATOM 0 HE ARG A 81 20.313 -7.426 5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 81 20.219 -10.871 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 81 21.844 -11.173 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 81 22.400 -7.821 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 81 23.074 -9.452 4.317 1.00 0.00 H new ATOM 802 N LEU A 82 16.754 -10.863 7.566 1.00 0.00 N ATOM 803 CA LEU A 82 17.452 -12.065 8.009 1.00 0.00 C ATOM 804 C LEU A 82 16.866 -13.309 7.349 1.00 0.00 C ATOM 805 O LEU A 82 17.597 -14.207 6.929 1.00 0.00 O ATOM 806 CB LEU A 82 17.369 -12.195 9.531 1.00 0.00 C ATOM 807 CG LEU A 82 18.154 -11.158 10.337 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.629 -11.081 11.762 1.00 0.00 C ATOM 809 CD2 LEU A 82 19.639 -11.491 10.330 1.00 0.00 C ATOM 0 H LEU A 82 16.434 -10.258 8.322 1.00 0.00 H new ATOM 0 HA LEU A 82 18.498 -11.978 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.321 -12.136 9.824 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.723 -13.187 9.811 1.00 0.00 H new ATOM 0 HG LEU A 82 18.019 -10.183 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.199 -10.338 12.320 1.00 0.00 H new ATOM 0 HD12 LEU A 82 16.577 -10.795 11.747 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.734 -12.054 12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.182 -10.743 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 82 19.793 -12.475 10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 82 20.006 -11.494 9.304 1.00 0.00 H new ATOM 821 N THR A 83 15.540 -13.356 7.259 1.00 0.00 N ATOM 822 CA THR A 83 14.855 -14.489 6.649 1.00 0.00 C ATOM 823 C THR A 83 14.329 -14.132 5.263 1.00 0.00 C ATOM 824 O THR A 83 14.398 -14.938 4.336 1.00 0.00 O ATOM 825 CB THR A 83 13.683 -14.974 7.522 1.00 0.00 C ATOM 826 OG1 THR A 83 12.757 -13.903 7.736 1.00 0.00 O ATOM 827 CG2 THR A 83 14.184 -15.493 8.861 1.00 0.00 C ATOM 0 H THR A 83 14.919 -12.622 7.601 1.00 0.00 H new ATOM 0 HA THR A 83 15.588 -15.291 6.561 1.00 0.00 H new ATOM 0 HB THR A 83 13.182 -15.789 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.013 -14.219 8.291 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.338 -15.830 9.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.867 -16.327 8.696 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.707 -14.695 9.388 1.00 0.00 H new ATOM 835 N GLY A 84 13.803 -12.919 5.130 1.00 0.00 N ATOM 836 CA GLY A 84 13.272 -12.476 3.853 1.00 0.00 C ATOM 837 C GLY A 84 11.850 -12.948 3.622 1.00 0.00 C ATOM 838 O GLY A 84 11.349 -12.905 2.497 1.00 0.00 O ATOM 0 H GLY A 84 13.735 -12.235 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.302 -11.387 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.909 -12.846 3.050 1.00 0.00 H new ATOM 842 N LEU A 85 11.198 -13.401 4.687 1.00 0.00 N ATOM 843 CA LEU A 85 9.825 -13.884 4.594 1.00 0.00 C ATOM 844 C LEU A 85 8.834 -12.727 4.672 1.00 0.00 C ATOM 845 O LEU A 85 8.903 -11.896 5.578 1.00 0.00 O ATOM 846 CB LEU A 85 9.541 -14.890 5.712 1.00 0.00 C ATOM 847 CG LEU A 85 10.155 -16.279 5.536 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.133 -17.043 6.851 1.00 0.00 C ATOM 849 CD2 LEU A 85 9.418 -17.055 4.454 1.00 0.00 C ATOM 0 H LEU A 85 11.598 -13.444 5.624 1.00 0.00 H new ATOM 0 HA LEU A 85 9.704 -14.377 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.903 -14.471 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.461 -15.001 5.808 1.00 0.00 H new ATOM 0 HG LEU A 85 11.193 -16.159 5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.574 -18.029 6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.706 -16.496 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.103 -17.152 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.869 -18.041 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.370 -17.164 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.486 -16.516 3.509 1.00 0.00 H new ATOM 861 N HIS A 86 7.910 -12.681 3.718 1.00 0.00 N ATOM 862 CA HIS A 86 6.902 -11.627 3.680 1.00 0.00 C ATOM 863 C HIS A 86 6.416 -11.289 5.086 1.00 0.00 C ATOM 864 O HIS A 86 5.739 -12.091 5.730 1.00 0.00 O ATOM 865 CB HIS A 86 5.720 -12.054 2.808 1.00 0.00 C ATOM 866 CG HIS A 86 4.837 -10.916 2.398 1.00 0.00 C ATOM 867 ND1 HIS A 86 3.995 -10.263 3.273 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.670 -10.314 1.197 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.347 -9.310 2.628 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.738 -9.319 1.366 1.00 0.00 N ATOM 0 H HIS A 86 7.838 -13.361 2.961 1.00 0.00 H new ATOM 0 HA HIS A 86 7.359 -10.736 3.249 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.099 -12.550 1.914 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.125 -12.788 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.175 -10.569 0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.620 -8.637 3.059 1.00 0.00 H new ATOM 0 HE2 HIS A 86 3.403 -8.690 0.636 1.00 0.00 H new ATOM 879 N LYS A 87 6.767 -10.098 5.557 1.00 0.00 N ATOM 880 CA LYS A 87 6.367 -9.652 6.887 1.00 0.00 C ATOM 881 C LYS A 87 4.847 -9.603 7.010 1.00 0.00 C ATOM 882 O LYS A 87 4.282 -10.024 8.018 1.00 0.00 O ATOM 883 CB LYS A 87 6.958 -8.273 7.185 1.00 0.00 C ATOM 884 CG LYS A 87 8.414 -8.133 6.773 1.00 0.00 C ATOM 885 CD LYS A 87 9.158 -7.164 7.676 1.00 0.00 C ATOM 886 CE LYS A 87 8.995 -5.727 7.206 1.00 0.00 C ATOM 887 NZ LYS A 87 7.676 -5.161 7.600 1.00 0.00 N ATOM 0 H LYS A 87 7.328 -9.423 5.037 1.00 0.00 H new ATOM 0 HA LYS A 87 6.750 -10.369 7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.369 -7.515 6.669 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.870 -8.072 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.898 -9.109 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.469 -7.786 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.787 -7.258 8.697 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.216 -7.423 7.696 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.793 -5.115 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.099 -5.686 6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.755 -4.128 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.968 -5.392 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.382 -5.567 8.511 1.00 0.00 H new ATOM 901 N GLY A 88 4.190 -9.087 5.975 1.00 0.00 N ATOM 902 CA GLY A 88 2.742 -8.993 5.988 1.00 0.00 C ATOM 903 C GLY A 88 2.252 -7.564 5.871 1.00 0.00 C ATOM 904 O GLY A 88 1.256 -7.190 6.490 1.00 0.00 O ATOM 0 H GLY A 88 4.635 -8.733 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.336 -9.581 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.361 -9.430 6.911 1.00 0.00 H new ATOM 908 N CYS A 89 2.954 -6.763 5.077 1.00 0.00 N ATOM 909 CA CYS A 89 2.587 -5.364 4.884 1.00 0.00 C ATOM 910 C CYS A 89 3.244 -4.798 3.630 1.00 0.00 C ATOM 911 O CYS A 89 4.211 -5.359 3.116 1.00 0.00 O ATOM 912 CB CYS A 89 2.989 -4.536 6.104 1.00 0.00 C ATOM 913 SG CYS A 89 4.640 -4.911 6.739 1.00 0.00 S ATOM 0 H CYS A 89 3.780 -7.058 4.557 1.00 0.00 H new ATOM 0 HA CYS A 89 1.505 -5.312 4.760 1.00 0.00 H new ATOM 0 HB2 CYS A 89 2.943 -3.479 5.843 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.260 -4.700 6.898 1.00 0.00 H new ATOM 0 HG CYS A 89 4.890 -4.158 7.769 1.00 0.00 H new ATOM 919 N ALA A 90 2.711 -3.683 3.141 1.00 0.00 N ATOM 920 CA ALA A 90 3.247 -3.040 1.947 1.00 0.00 C ATOM 921 C ALA A 90 2.850 -1.569 1.891 1.00 0.00 C ATOM 922 O ALA A 90 1.860 -1.159 2.498 1.00 0.00 O ATOM 923 CB ALA A 90 2.769 -3.766 0.698 1.00 0.00 C ATOM 0 H ALA A 90 1.909 -3.206 3.553 1.00 0.00 H new ATOM 0 HA ALA A 90 4.335 -3.094 1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.176 -3.276 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.108 -4.802 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.680 -3.741 0.657 1.00 0.00 H new ATOM 929 N PHE A 91 3.628 -0.778 1.160 1.00 0.00 N ATOM 930 CA PHE A 91 3.359 0.649 1.026 1.00 0.00 C ATOM 931 C PHE A 91 2.741 0.961 -0.334 1.00 0.00 C ATOM 932 O PHE A 91 3.318 0.649 -1.377 1.00 0.00 O ATOM 933 CB PHE A 91 4.648 1.452 1.210 1.00 0.00 C ATOM 934 CG PHE A 91 5.074 1.582 2.644 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.270 2.238 3.563 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.278 1.049 3.075 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.660 2.360 4.883 1.00 0.00 C ATOM 938 CE2 PHE A 91 6.673 1.167 4.394 1.00 0.00 C ATOM 939 CZ PHE A 91 5.862 1.823 5.299 1.00 0.00 C ATOM 0 H PHE A 91 4.451 -1.101 0.651 1.00 0.00 H new ATOM 0 HA PHE A 91 2.648 0.934 1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.448 0.975 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.509 2.448 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.328 2.659 3.244 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.916 0.535 2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.025 2.875 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.614 0.747 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.168 1.916 6.331 1.00 0.00 H new ATOM 949 N LEU A 92 1.565 1.577 -0.315 1.00 0.00 N ATOM 950 CA LEU A 92 0.867 1.931 -1.546 1.00 0.00 C ATOM 951 C LEU A 92 0.792 3.445 -1.713 1.00 0.00 C ATOM 952 O LEU A 92 0.417 4.166 -0.787 1.00 0.00 O ATOM 953 CB LEU A 92 -0.542 1.336 -1.547 1.00 0.00 C ATOM 954 CG LEU A 92 -1.539 1.971 -2.517 1.00 0.00 C ATOM 955 CD1 LEU A 92 -1.289 1.481 -3.935 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.967 1.666 -2.090 1.00 0.00 C ATOM 0 H LEU A 92 1.074 1.842 0.539 1.00 0.00 H new ATOM 0 HA LEU A 92 1.429 1.519 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.466 0.274 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.948 1.413 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.398 3.052 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.008 1.943 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.278 1.751 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.402 0.397 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.663 2.126 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.121 0.587 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.142 2.066 -1.091 1.00 0.00 H new ATOM 968 N THR A 93 1.148 3.923 -2.901 1.00 0.00 N ATOM 969 CA THR A 93 1.120 5.351 -3.191 1.00 0.00 C ATOM 970 C THR A 93 0.199 5.656 -4.366 1.00 0.00 C ATOM 971 O THR A 93 0.168 4.918 -5.351 1.00 0.00 O ATOM 972 CB THR A 93 2.529 5.889 -3.504 1.00 0.00 C ATOM 973 OG1 THR A 93 3.406 5.640 -2.400 1.00 0.00 O ATOM 974 CG2 THR A 93 2.487 7.381 -3.797 1.00 0.00 C ATOM 0 H THR A 93 1.459 3.341 -3.679 1.00 0.00 H new ATOM 0 HA THR A 93 0.740 5.847 -2.298 1.00 0.00 H new ATOM 0 HB THR A 93 2.902 5.371 -4.388 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.300 5.984 -2.608 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.494 7.737 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.843 7.565 -4.657 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.094 7.911 -2.929 1.00 0.00 H new ATOM 982 N TYR A 94 -0.549 6.749 -4.258 1.00 0.00 N ATOM 983 CA TYR A 94 -1.472 7.151 -5.312 1.00 0.00 C ATOM 984 C TYR A 94 -0.981 8.412 -6.015 1.00 0.00 C ATOM 985 O TYR A 94 -0.450 9.324 -5.380 1.00 0.00 O ATOM 986 CB TYR A 94 -2.868 7.387 -4.733 1.00 0.00 C ATOM 987 CG TYR A 94 -3.740 6.152 -4.731 1.00 0.00 C ATOM 988 CD1 TYR A 94 -4.135 5.555 -5.922 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.170 5.582 -3.539 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.933 4.427 -5.926 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.966 4.454 -3.533 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.345 3.880 -4.729 1.00 0.00 C ATOM 993 OH TYR A 94 -6.139 2.756 -4.727 1.00 0.00 O ATOM 0 H TYR A 94 -0.534 7.372 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.521 6.345 -6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.771 7.755 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.363 8.170 -5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.813 5.980 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.876 6.029 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.232 3.976 -6.861 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.290 4.023 -2.597 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.198 2.395 -5.636 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.162 8.456 -7.331 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.737 9.605 -8.122 1.00 0.00 C ATOM 1005 C CYS A 95 -1.536 10.849 -7.748 1.00 0.00 C ATOM 1006 O CYS A 95 -1.054 11.973 -7.883 1.00 0.00 O ATOM 1007 CB CYS A 95 -0.899 9.311 -9.614 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.676 10.754 -10.680 1.00 0.00 S ATOM 0 H CYS A 95 -1.600 7.710 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 95 0.315 9.793 -7.907 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -0.179 8.545 -9.903 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.892 8.896 -9.786 1.00 0.00 H new ATOM 0 HG CYS A 95 0.542 10.773 -11.135 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.762 10.640 -7.278 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.628 11.744 -6.884 1.00 0.00 C ATOM 1016 C ALA A 96 -3.971 11.669 -5.400 1.00 0.00 C ATOM 1017 O ALA A 96 -3.906 10.601 -4.791 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.898 11.744 -7.722 1.00 0.00 C ATOM 0 H ALA A 96 -3.177 9.716 -7.161 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.090 12.676 -7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.535 12.574 -7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.639 11.854 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.431 10.804 -7.575 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.337 12.809 -4.824 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.689 12.873 -3.410 1.00 0.00 C ATOM 1026 C ARG A 97 -5.978 12.104 -3.136 1.00 0.00 C ATOM 1027 O ARG A 97 -5.994 11.161 -2.344 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.846 14.328 -2.967 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.483 14.482 -1.595 1.00 0.00 C ATOM 1030 CD ARG A 97 -4.476 14.237 -0.483 1.00 0.00 C ATOM 1031 NE ARG A 97 -3.791 15.464 -0.084 1.00 0.00 N ATOM 1032 CZ ARG A 97 -4.361 16.421 0.639 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -5.618 16.294 1.041 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -3.673 17.509 0.962 1.00 0.00 N ATOM 0 H ARG A 97 -4.398 13.701 -5.314 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.883 12.412 -2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.866 14.804 -2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.452 14.859 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.899 15.485 -1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.312 13.782 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.986 13.810 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.741 13.503 -0.815 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.822 15.593 -0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.150 15.459 0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.053 17.031 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.706 17.611 0.655 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.112 18.244 1.517 1.00 0.00 H new ATOM 1048 N ASP A 98 -7.056 12.513 -3.794 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.350 11.863 -3.622 1.00 0.00 C ATOM 1050 C ASP A 98 -8.208 10.345 -3.686 1.00 0.00 C ATOM 1051 O ASP A 98 -8.633 9.633 -2.776 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.332 12.341 -4.693 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.831 13.749 -4.433 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -10.180 14.050 -3.273 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -9.873 14.550 -5.390 1.00 0.00 O ATOM 0 H ASP A 98 -7.060 13.292 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.737 12.133 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.847 12.305 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.181 11.659 -4.733 1.00 0.00 H new ATOM 1060 N SER A 99 -7.610 9.857 -4.768 1.00 0.00 N ATOM 1061 CA SER A 99 -7.416 8.423 -4.953 1.00 0.00 C ATOM 1062 C SER A 99 -7.124 7.738 -3.622 1.00 0.00 C ATOM 1063 O SER A 99 -7.699 6.696 -3.308 1.00 0.00 O ATOM 1064 CB SER A 99 -6.272 8.164 -5.935 1.00 0.00 C ATOM 1065 OG SER A 99 -6.601 8.624 -7.235 1.00 0.00 O ATOM 0 H SER A 99 -7.251 10.433 -5.530 1.00 0.00 H new ATOM 0 HA SER A 99 -8.337 8.007 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.369 8.665 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.052 7.097 -5.968 1.00 0.00 H new ATOM 0 HG SER A 99 -5.853 8.448 -7.843 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.226 8.332 -2.843 1.00 0.00 N ATOM 1072 CA ALA A 100 -5.858 7.781 -1.544 1.00 0.00 C ATOM 1073 C ALA A 100 -7.025 7.853 -0.566 1.00 0.00 C ATOM 1074 O ALA A 100 -7.371 6.862 0.079 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.649 8.515 -0.983 1.00 0.00 C ATOM 0 H ALA A 100 -5.740 9.194 -3.089 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.600 6.731 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.385 8.093 -0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.807 8.406 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.887 9.572 -0.866 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.629 9.032 -0.460 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.759 9.234 0.441 1.00 0.00 C ATOM 1083 C LEU A 101 -9.819 8.157 0.235 1.00 0.00 C ATOM 1084 O LEU A 101 -10.256 7.510 1.187 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.372 10.618 0.220 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.414 11.803 0.342 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -9.047 13.063 -0.228 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -8.013 12.017 1.795 1.00 0.00 C ATOM 0 H LEU A 101 -7.355 9.862 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.392 9.165 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.821 10.640 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.180 10.754 0.938 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.516 11.580 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.350 13.896 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.284 12.907 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -9.962 13.290 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.331 12.864 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.902 12.218 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.518 11.122 2.172 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.228 7.967 -1.015 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.234 6.966 -1.348 1.00 0.00 C ATOM 1102 C LYS A 102 -10.742 5.564 -1.004 1.00 0.00 C ATOM 1103 O LYS A 102 -11.258 4.921 -0.091 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.587 7.043 -2.835 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.111 8.402 -3.266 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.284 8.481 -4.774 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.563 7.792 -5.225 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.777 8.539 -4.795 1.00 0.00 N ATOM 0 H LYS A 102 -9.878 8.494 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.126 7.174 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.702 6.801 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.337 6.285 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.067 8.596 -2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.422 9.180 -2.937 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.303 9.526 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.428 8.018 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.561 7.697 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.595 6.782 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -15.594 8.228 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.961 8.353 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.626 9.558 -4.937 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.739 5.097 -1.740 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.175 3.772 -1.510 1.00 0.00 C ATOM 1124 C ALA A 103 -8.909 3.539 -0.027 1.00 0.00 C ATOM 1125 O ALA A 103 -9.002 2.412 0.459 1.00 0.00 O ATOM 1126 CB ALA A 103 -7.893 3.598 -2.312 1.00 0.00 C ATOM 0 H ALA A 103 -9.300 5.616 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.902 3.031 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.483 2.605 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.110 3.713 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.167 4.352 -2.006 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.578 4.611 0.686 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.298 4.521 2.114 1.00 0.00 C ATOM 1134 C GLN A 104 -9.577 4.269 2.905 1.00 0.00 C ATOM 1135 O GLN A 104 -9.719 3.238 3.562 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.625 5.804 2.605 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.280 5.782 4.085 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.293 7.165 4.708 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -8.004 7.412 5.683 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.506 8.075 4.147 1.00 0.00 N ATOM 0 H GLN A 104 -8.497 5.551 0.298 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.623 3.681 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.714 5.969 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.284 6.649 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.991 5.144 4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.294 5.337 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.933 7.826 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.474 9.023 4.523 1.00 0.00 H new ATOM 1149 N SER A 105 -10.505 5.219 2.839 1.00 0.00 N ATOM 1150 CA SER A 105 -11.771 5.101 3.553 1.00 0.00 C ATOM 1151 C SER A 105 -12.702 4.119 2.849 1.00 0.00 C ATOM 1152 O SER A 105 -13.805 3.845 3.322 1.00 0.00 O ATOM 1153 CB SER A 105 -12.445 6.470 3.666 1.00 0.00 C ATOM 1154 OG SER A 105 -13.563 6.417 4.535 1.00 0.00 O ATOM 0 H SER A 105 -10.404 6.078 2.299 1.00 0.00 H new ATOM 0 HA SER A 105 -11.563 4.722 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.728 7.203 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.763 6.805 2.679 1.00 0.00 H new ATOM 0 HG SER A 105 -13.934 5.510 4.536 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.250 3.593 1.716 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.040 2.640 0.947 1.00 0.00 C ATOM 1162 C ALA A 106 -12.584 1.209 1.211 1.00 0.00 C ATOM 1163 O ALA A 106 -13.347 0.259 1.028 1.00 0.00 O ATOM 1164 CB ALA A 106 -12.953 2.958 -0.539 1.00 0.00 C ATOM 0 H ALA A 106 -11.340 3.811 1.310 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.079 2.727 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.548 2.238 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.335 3.963 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.914 2.901 -0.863 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.336 1.060 1.642 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.778 -0.256 1.931 1.00 0.00 C ATOM 1172 C LEU A 107 -10.566 -0.440 3.430 1.00 0.00 C ATOM 1173 O LEU A 107 -10.805 -1.519 3.974 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.453 -0.444 1.190 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.529 -0.418 -0.337 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.155 -0.159 -0.935 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.104 -1.725 -0.864 1.00 0.00 C ATOM 0 H LEU A 107 -10.691 1.835 1.799 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.489 -1.008 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.765 0.337 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.020 -1.396 1.496 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.192 0.394 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.228 -0.144 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.780 0.802 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.470 -0.949 -0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.151 -1.689 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.467 -2.554 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.107 -1.870 -0.462 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.117 0.621 4.094 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.875 0.577 5.532 1.00 0.00 C ATOM 1191 C HIS A 108 -11.070 -0.026 6.265 1.00 0.00 C ATOM 1192 O HIS A 108 -12.117 0.609 6.391 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.590 1.981 6.065 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.059 1.993 7.466 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.767 1.632 7.785 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.655 2.327 8.635 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.591 1.742 9.089 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.721 2.163 9.628 1.00 0.00 N ATOM 0 H HIS A 108 -9.914 1.521 3.659 1.00 0.00 H new ATOM 0 HA HIS A 108 -9.005 -0.055 5.711 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.871 2.471 5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.508 2.568 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.674 2.660 8.763 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.678 1.525 9.624 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.875 2.338 10.621 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.905 -1.254 6.746 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.970 -1.941 7.466 1.00 0.00 C ATOM 1208 C GLU A 109 -13.219 -2.069 6.597 1.00 0.00 C ATOM 1209 O GLU A 109 -14.340 -1.897 7.076 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.309 -1.194 8.758 1.00 0.00 C ATOM 1211 CG GLU A 109 -11.107 -0.961 9.658 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.488 -0.857 11.122 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -11.813 0.261 11.573 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -11.460 -1.894 11.817 1.00 0.00 O ATOM 0 H GLU A 109 -10.044 -1.793 6.650 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.617 -2.942 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.755 -0.232 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.061 -1.760 9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.397 -1.777 9.528 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.600 -0.046 9.352 1.00 0.00 H new ATOM 1221 N GLN A 110 -13.015 -2.370 5.319 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.123 -2.519 4.383 1.00 0.00 C ATOM 1223 C GLN A 110 -14.017 -3.834 3.619 1.00 0.00 C ATOM 1224 O GLN A 110 -15.002 -4.556 3.464 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.151 -1.346 3.402 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.545 -1.007 2.899 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.656 0.422 2.405 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.106 0.671 1.286 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.245 1.370 3.239 1.00 0.00 N ATOM 0 H GLN A 110 -12.093 -2.515 4.908 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.051 -2.527 4.955 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.725 -0.468 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.513 -1.581 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.811 -1.688 2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.265 -1.167 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.879 1.118 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.295 2.350 2.962 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.815 -4.140 3.142 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.578 -5.369 2.394 1.00 0.00 C ATOM 1240 C LYS A 111 -11.947 -6.435 3.283 1.00 0.00 C ATOM 1241 O LYS A 111 -11.371 -6.126 4.327 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.673 -5.092 1.191 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.898 -6.044 0.029 1.00 0.00 C ATOM 1244 CD LYS A 111 -13.200 -5.743 -0.694 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.995 -4.741 -1.820 1.00 0.00 C ATOM 1246 NZ LYS A 111 -14.260 -4.042 -2.178 1.00 0.00 N ATOM 0 H LYS A 111 -11.989 -3.553 3.260 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.540 -5.740 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.839 -4.070 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.632 -5.158 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.066 -5.968 -0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.913 -7.070 0.396 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.614 -6.666 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.929 -5.350 0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.247 -4.007 -1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.604 -5.256 -2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.078 -3.368 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.966 -4.740 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.620 -3.529 -1.348 1.00 0.00 H new ATOM 1260 N THR A 112 -12.058 -7.692 2.864 1.00 0.00 N ATOM 1261 CA THR A 112 -11.498 -8.803 3.622 1.00 0.00 C ATOM 1262 C THR A 112 -10.743 -9.765 2.712 1.00 0.00 C ATOM 1263 O THR A 112 -11.333 -10.670 2.122 1.00 0.00 O ATOM 1264 CB THR A 112 -12.596 -9.580 4.373 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.243 -8.723 5.320 1.00 0.00 O ATOM 1266 CG2 THR A 112 -12.009 -10.786 5.092 1.00 0.00 C ATOM 0 H THR A 112 -12.531 -7.966 2.003 1.00 0.00 H new ATOM 0 HA THR A 112 -10.806 -8.374 4.346 1.00 0.00 H new ATOM 0 HB THR A 112 -13.326 -9.930 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.941 -9.224 5.792 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.803 -11.319 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.543 -11.451 4.365 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.261 -10.452 5.811 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.434 -9.564 2.603 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.597 -10.414 1.765 1.00 0.00 C ATOM 1276 C LEU A 113 -8.814 -11.888 2.094 1.00 0.00 C ATOM 1277 O LEU A 113 -9.220 -12.249 3.200 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.122 -10.052 1.948 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.668 -8.742 1.302 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.289 -8.347 1.809 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.664 -8.869 -0.215 1.00 0.00 C ATOM 0 H LEU A 113 -8.930 -8.820 3.085 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.880 -10.247 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.911 -10.000 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.516 -10.863 1.543 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.373 -7.958 1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.982 -7.413 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.323 -8.215 2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.572 -9.130 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -6.338 -7.928 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.981 -9.665 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.670 -9.105 -0.563 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.537 -12.761 1.115 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.692 -14.209 1.278 1.00 0.00 C ATOM 1295 C PRO A 114 -7.658 -14.800 2.230 1.00 0.00 C ATOM 1296 O PRO A 114 -6.459 -14.769 1.957 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.485 -14.750 -0.139 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.644 -13.724 -0.817 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.050 -12.401 -0.228 1.00 0.00 C ATOM 0 HA PRO A 114 -9.658 -14.469 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.990 -15.721 -0.124 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.436 -14.886 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.584 -13.916 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.805 -13.737 -1.895 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.210 -11.708 -0.179 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.827 -11.918 -0.821 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.131 -15.338 3.351 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.233 -15.928 4.326 1.00 0.00 C ATOM 1309 C GLY A 115 -7.014 -15.032 5.529 1.00 0.00 C ATOM 1310 O GLY A 115 -6.241 -15.364 6.427 1.00 0.00 O ATOM 0 H GLY A 115 -9.119 -15.375 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.639 -16.884 4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.274 -16.136 3.852 1.00 0.00 H new ATOM 1314 N MET A 116 -7.695 -13.890 5.547 1.00 0.00 N ATOM 1315 CA MET A 116 -7.570 -12.943 6.648 1.00 0.00 C ATOM 1316 C MET A 116 -8.900 -12.778 7.377 1.00 0.00 C ATOM 1317 O MET A 116 -9.818 -12.132 6.874 1.00 0.00 O ATOM 1318 CB MET A 116 -7.087 -11.587 6.131 1.00 0.00 C ATOM 1319 CG MET A 116 -5.604 -11.556 5.798 1.00 0.00 C ATOM 1320 SD MET A 116 -4.565 -11.925 7.225 1.00 0.00 S ATOM 1321 CE MET A 116 -3.249 -10.730 7.004 1.00 0.00 C ATOM 0 H MET A 116 -8.339 -13.599 4.811 1.00 0.00 H new ATOM 0 HA MET A 116 -6.837 -13.337 7.351 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.657 -11.323 5.240 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.298 -10.825 6.881 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.398 -12.277 5.007 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.343 -10.572 5.408 1.00 0.00 H new ATOM 0 HE1 MET A 116 -2.404 -10.998 7.638 1.00 0.00 H new ATOM 0 HE2 MET A 116 -2.933 -10.725 5.961 1.00 0.00 H new ATOM 0 HE3 MET A 116 -3.608 -9.738 7.279 1.00 0.00 H new ATOM 1331 N ASN A 117 -8.995 -13.366 8.565 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.213 -13.285 9.363 1.00 0.00 C ATOM 1333 C ASN A 117 -10.662 -11.835 9.524 1.00 0.00 C ATOM 1334 O ASN A 117 -11.858 -11.545 9.557 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.991 -13.918 10.738 1.00 0.00 C ATOM 1336 CG ASN A 117 -10.291 -15.404 10.745 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -9.416 -16.224 11.024 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -11.534 -15.758 10.438 1.00 0.00 N ATOM 0 H ASN A 117 -8.243 -13.904 8.996 1.00 0.00 H new ATOM 0 HA ASN A 117 -10.997 -13.834 8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -8.958 -13.757 11.047 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.624 -13.419 11.471 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -11.796 -16.744 10.427 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -12.227 -15.044 10.213 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.694 -10.930 9.624 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.989 -9.511 9.783 1.00 0.00 C ATOM 1347 C ARG A 118 -9.857 -8.776 8.452 1.00 0.00 C ATOM 1348 O ARG A 118 -9.212 -9.248 7.516 1.00 0.00 O ATOM 1349 CB ARG A 118 -9.051 -8.886 10.817 1.00 0.00 C ATOM 1350 CG ARG A 118 -9.582 -8.954 12.240 1.00 0.00 C ATOM 1351 CD ARG A 118 -9.155 -10.238 12.933 1.00 0.00 C ATOM 1352 NE ARG A 118 -9.434 -10.205 14.367 1.00 0.00 N ATOM 1353 CZ ARG A 118 -10.625 -10.473 14.890 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -11.642 -10.792 14.102 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -10.801 -10.422 16.204 1.00 0.00 N ATOM 0 H ARG A 118 -8.699 -11.154 9.598 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.018 -9.416 10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.087 -9.392 10.773 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.876 -7.843 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.220 -8.096 12.806 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.670 -8.891 12.227 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.675 -11.083 12.482 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.088 -10.398 12.775 1.00 0.00 H new ATOM 0 HE ARG A 118 -8.672 -9.963 15.001 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -11.511 -10.832 13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -12.556 -10.997 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.021 -10.177 16.814 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -11.716 -10.628 16.604 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.484 -7.594 8.364 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.452 -6.769 7.153 1.00 0.00 C ATOM 1371 C PRO A 119 -9.074 -6.169 6.897 1.00 0.00 C ATOM 1372 O PRO A 119 -8.150 -6.350 7.691 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.470 -5.665 7.449 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.510 -5.575 8.935 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.272 -6.970 9.441 1.00 0.00 C ATOM 0 HA PRO A 119 -10.680 -7.349 6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -11.167 -4.718 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.450 -5.911 7.041 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.747 -4.890 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.473 -5.195 9.277 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.729 -6.967 10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -12.209 -7.500 9.613 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.943 -5.453 5.785 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.677 -4.825 5.426 1.00 0.00 C ATOM 1385 C ILE A 120 -7.550 -3.444 6.059 1.00 0.00 C ATOM 1386 O ILE A 120 -8.470 -2.629 5.984 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.528 -4.693 3.899 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.388 -3.730 3.558 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.833 -4.219 3.278 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.223 -3.492 2.073 1.00 0.00 C ATOM 0 H ILE A 120 -9.698 -5.293 5.117 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.885 -5.470 5.806 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.287 -5.673 3.486 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.569 -2.776 4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.456 -4.126 3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.711 -4.131 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.622 -4.938 3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.102 -3.248 3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.398 -2.800 1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.011 -4.438 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.141 -3.066 1.668 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.404 -3.187 6.681 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.156 -1.903 7.327 1.00 0.00 C ATOM 1404 C GLN A 121 -5.247 -1.030 6.470 1.00 0.00 C ATOM 1405 O GLN A 121 -4.114 -1.405 6.166 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.529 -2.115 8.706 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.445 -2.825 9.689 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.712 -3.315 10.922 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -4.872 -2.608 11.480 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.025 -4.531 11.353 1.00 0.00 N ATOM 0 H GLN A 121 -5.633 -3.851 6.751 1.00 0.00 H new ATOM 0 HA GLN A 121 -7.112 -1.393 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.612 -2.694 8.594 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -5.246 -1.147 9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -7.243 -2.146 9.991 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.918 -3.672 9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -6.727 -5.082 10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.563 -4.914 12.178 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.750 0.138 6.082 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.982 1.066 5.260 1.00 0.00 C ATOM 1421 C VAL A 122 -5.032 2.478 5.833 1.00 0.00 C ATOM 1422 O VAL A 122 -6.104 3.065 5.976 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.502 1.094 3.810 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.591 1.938 2.932 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.626 -0.320 3.261 1.00 0.00 C ATOM 0 H VAL A 122 -6.686 0.464 6.324 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.951 0.712 5.262 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.493 1.549 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.974 1.946 1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.559 2.958 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.586 1.516 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.995 -0.281 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.649 -0.804 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.323 -0.889 3.876 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.863 3.019 6.159 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.770 4.363 6.716 1.00 0.00 C ATOM 1437 C LYS A 123 -2.724 5.189 5.973 1.00 0.00 C ATOM 1438 O LYS A 123 -1.791 4.657 5.372 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.421 4.298 8.204 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.270 3.359 8.519 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.201 3.038 10.002 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.407 1.767 10.261 1.00 0.00 C ATOM 1443 NZ LYS A 123 -1.158 1.554 11.714 1.00 0.00 N ATOM 0 H LYS A 123 -2.966 2.547 6.047 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.740 4.846 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.168 5.299 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.302 3.979 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.387 2.436 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.332 3.813 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.741 3.870 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.210 2.925 10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.948 0.912 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.455 1.820 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.614 0.678 11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.619 2.358 12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.067 1.478 12.214 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.881 6.520 6.015 1.00 0.00 N ATOM 1458 CA PRO A 124 -1.959 7.447 5.352 1.00 0.00 C ATOM 1459 C PRO A 124 -0.593 7.489 6.030 1.00 0.00 C ATOM 1460 O PRO A 124 -0.330 8.354 6.864 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.662 8.801 5.483 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.533 8.661 6.683 1.00 0.00 C ATOM 1463 CD PRO A 124 -3.971 7.223 6.712 1.00 0.00 C ATOM 0 HA PRO A 124 -1.757 7.154 4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -1.942 9.610 5.608 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.248 9.031 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.990 8.922 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.392 9.329 6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.094 6.861 7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.927 7.084 6.207 1.00 0.00 H new ATOM 1471 N ALA A 125 0.272 6.548 5.664 1.00 0.00 N ATOM 1472 CA ALA A 125 1.612 6.479 6.235 1.00 0.00 C ATOM 1473 C ALA A 125 2.287 7.846 6.217 1.00 0.00 C ATOM 1474 O ALA A 125 2.941 8.213 5.241 1.00 0.00 O ATOM 1475 CB ALA A 125 2.455 5.462 5.482 1.00 0.00 C ATOM 0 H ALA A 125 0.069 5.824 4.975 1.00 0.00 H new ATOM 0 HA ALA A 125 1.522 6.161 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.453 5.421 5.919 1.00 0.00 H new ATOM 0 HB2 ALA A 125 1.988 4.480 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.530 5.755 4.435 1.00 0.00 H new ATOM 1481 N ALA A 126 2.123 8.597 7.301 1.00 0.00 N ATOM 1482 CA ALA A 126 2.719 9.923 7.409 1.00 0.00 C ATOM 1483 C ALA A 126 2.503 10.510 8.800 1.00 0.00 C ATOM 1484 O ALA A 126 1.559 10.143 9.500 1.00 0.00 O ATOM 1485 CB ALA A 126 2.142 10.849 6.349 1.00 0.00 C ATOM 0 H ALA A 126 1.582 8.310 8.117 1.00 0.00 H new ATOM 0 HA ALA A 126 3.792 9.826 7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.596 11.836 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.352 10.444 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.064 10.932 6.486 1.00 0.00 H new ATOM 1491 N SER A 127 3.385 11.423 9.195 1.00 0.00 N ATOM 1492 CA SER A 127 3.293 12.057 10.505 1.00 0.00 C ATOM 1493 C SER A 127 2.769 11.075 11.549 1.00 0.00 C ATOM 1494 O SER A 127 1.837 11.381 12.291 1.00 0.00 O ATOM 1495 CB SER A 127 2.381 13.283 10.439 1.00 0.00 C ATOM 1496 OG SER A 127 3.075 14.409 9.930 1.00 0.00 O ATOM 0 H SER A 127 4.171 11.740 8.627 1.00 0.00 H new ATOM 0 HA SER A 127 4.294 12.373 10.799 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.520 13.066 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.997 13.508 11.434 1.00 0.00 H new ATOM 0 HG SER A 127 2.469 15.179 9.896 1.00 0.00 H new ATOM 1502 N GLU A 128 3.377 9.894 11.599 1.00 0.00 N ATOM 1503 CA GLU A 128 2.972 8.866 12.551 1.00 0.00 C ATOM 1504 C GLU A 128 3.225 9.323 13.985 1.00 0.00 C ATOM 1505 O GLU A 128 2.379 9.150 14.861 1.00 0.00 O ATOM 1506 CB GLU A 128 3.725 7.562 12.279 1.00 0.00 C ATOM 1507 CG GLU A 128 3.128 6.739 11.150 1.00 0.00 C ATOM 1508 CD GLU A 128 1.943 5.905 11.600 1.00 0.00 C ATOM 1509 OE1 GLU A 128 1.344 6.241 12.643 1.00 0.00 O ATOM 1510 OE2 GLU A 128 1.616 4.917 10.910 1.00 0.00 O ATOM 0 H GLU A 128 4.151 9.625 10.992 1.00 0.00 H new ATOM 0 HA GLU A 128 1.903 8.692 12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 128 4.762 7.795 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.736 6.962 13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.815 7.405 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.895 6.082 10.739 1.00 0.00 H new ATOM 1517 N GLY A 129 4.397 9.907 14.216 1.00 0.00 N ATOM 1518 CA GLY A 129 4.741 10.379 15.545 1.00 0.00 C ATOM 1519 C GLY A 129 3.565 11.021 16.255 1.00 0.00 C ATOM 1520 O GLY A 129 3.128 10.543 17.302 1.00 0.00 O ATOM 0 H GLY A 129 5.114 10.062 13.507 1.00 0.00 H new ATOM 0 HA2 GLY A 129 5.108 9.543 16.140 1.00 0.00 H new ATOM 0 HA3 GLY A 129 5.555 11.100 15.472 1.00 0.00 H new ATOM 1524 N ARG A 130 3.053 12.107 15.685 1.00 0.00 N ATOM 1525 CA ARG A 130 1.923 12.817 16.272 1.00 0.00 C ATOM 1526 C ARG A 130 0.688 12.703 15.383 1.00 0.00 C ATOM 1527 O ARG A 130 0.676 13.195 14.255 1.00 0.00 O ATOM 1528 CB ARG A 130 2.275 14.289 16.489 1.00 0.00 C ATOM 1529 CG ARG A 130 3.009 14.555 17.793 1.00 0.00 C ATOM 1530 CD ARG A 130 3.187 16.045 18.039 1.00 0.00 C ATOM 1531 NE ARG A 130 1.906 16.729 18.204 1.00 0.00 N ATOM 1532 CZ ARG A 130 1.774 18.050 18.204 1.00 0.00 C ATOM 1533 NH1 ARG A 130 2.837 18.827 18.049 1.00 0.00 N ATOM 1534 NH2 ARG A 130 0.575 18.598 18.360 1.00 0.00 N ATOM 0 H ARG A 130 3.403 12.514 14.818 1.00 0.00 H new ATOM 0 HA ARG A 130 1.699 12.359 17.235 1.00 0.00 H new ATOM 0 HB2 ARG A 130 2.892 14.632 15.658 1.00 0.00 H new ATOM 0 HB3 ARG A 130 1.359 14.879 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 130 2.455 14.112 18.621 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.985 14.070 17.768 1.00 0.00 H new ATOM 0 HD2 ARG A 130 3.796 16.195 18.931 1.00 0.00 H new ATOM 0 HD3 ARG A 130 3.730 16.488 17.204 1.00 0.00 H new ATOM 0 HE ARG A 130 1.068 16.161 18.326 1.00 0.00 H new ATOM 0 HH11 ARG A 130 3.760 18.410 17.929 1.00 0.00 H new ATOM 0 HH12 ARG A 130 2.732 19.842 18.050 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -0.246 18.004 18.480 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.474 19.613 18.360 1.00 0.00 H new ATOM 1548 N GLY A 131 -0.349 12.050 15.899 1.00 0.00 N ATOM 1549 CA GLY A 131 -1.573 11.883 15.139 1.00 0.00 C ATOM 1550 C GLY A 131 -2.811 12.203 15.954 1.00 0.00 C ATOM 1551 O GLY A 131 -3.122 11.507 16.919 1.00 0.00 O ATOM 0 H GLY A 131 -0.363 11.634 16.830 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -1.543 12.529 14.261 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -1.635 10.857 14.778 1.00 0.00 H new ATOM 1555 N GLU A 132 -3.516 13.261 15.566 1.00 0.00 N ATOM 1556 CA GLU A 132 -4.725 13.673 16.270 1.00 0.00 C ATOM 1557 C GLU A 132 -5.970 13.126 15.579 1.00 0.00 C ATOM 1558 O GLU A 132 -6.111 13.225 14.360 1.00 0.00 O ATOM 1559 CB GLU A 132 -4.801 15.199 16.349 1.00 0.00 C ATOM 1560 CG GLU A 132 -4.108 15.780 17.570 1.00 0.00 C ATOM 1561 CD GLU A 132 -4.389 17.260 17.751 1.00 0.00 C ATOM 1562 OE1 GLU A 132 -4.088 18.039 16.823 1.00 0.00 O ATOM 1563 OE2 GLU A 132 -4.910 17.638 18.821 1.00 0.00 O ATOM 0 H GLU A 132 -3.271 13.848 14.769 1.00 0.00 H new ATOM 0 HA GLU A 132 -4.683 13.266 17.280 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -4.353 15.624 15.451 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -5.848 15.502 16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -4.434 15.241 18.459 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -3.033 15.626 17.480 1.00 0.00 H new ATOM 1570 N SER A 133 -6.871 12.548 16.367 1.00 0.00 N ATOM 1571 CA SER A 133 -8.103 11.981 15.831 1.00 0.00 C ATOM 1572 C SER A 133 -9.130 11.767 16.940 1.00 0.00 C ATOM 1573 O SER A 133 -8.775 11.590 18.104 1.00 0.00 O ATOM 1574 CB SER A 133 -7.815 10.655 15.125 1.00 0.00 C ATOM 1575 OG SER A 133 -8.958 10.187 14.431 1.00 0.00 O ATOM 0 H SER A 133 -6.771 12.460 17.378 1.00 0.00 H new ATOM 0 HA SER A 133 -8.514 12.687 15.109 1.00 0.00 H new ATOM 0 HB2 SER A 133 -6.989 10.784 14.426 1.00 0.00 H new ATOM 0 HB3 SER A 133 -7.500 9.911 15.857 1.00 0.00 H new ATOM 0 HG SER A 133 -8.747 9.339 13.987 1.00 0.00 H new ATOM 1581 N GLY A 134 -10.406 11.785 16.567 1.00 0.00 N ATOM 1582 CA GLY A 134 -11.465 11.592 17.540 1.00 0.00 C ATOM 1583 C GLY A 134 -12.748 11.090 16.909 1.00 0.00 C ATOM 1584 O GLY A 134 -13.080 11.428 15.772 1.00 0.00 O ATOM 0 H GLY A 134 -10.725 11.930 15.609 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -11.134 10.881 18.297 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -11.660 12.534 18.052 1.00 0.00 H new ATOM 1588 N PRO A 135 -13.494 10.261 17.654 1.00 0.00 N ATOM 1589 CA PRO A 135 -14.760 9.692 17.180 1.00 0.00 C ATOM 1590 C PRO A 135 -15.861 10.741 17.068 1.00 0.00 C ATOM 1591 O PRO A 135 -15.711 11.866 17.545 1.00 0.00 O ATOM 1592 CB PRO A 135 -15.110 8.661 18.255 1.00 0.00 C ATOM 1593 CG PRO A 135 -14.424 9.148 19.485 1.00 0.00 C ATOM 1594 CD PRO A 135 -13.161 9.815 19.017 1.00 0.00 C ATOM 0 HA PRO A 135 -14.668 9.270 16.179 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -16.188 8.594 18.403 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -14.764 7.666 17.976 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -15.055 9.848 20.033 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -14.202 8.322 20.161 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -12.888 10.653 19.658 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -12.318 9.124 19.019 1.00 0.00 H new ATOM 1602 N SER A 136 -16.968 10.365 16.436 1.00 0.00 N ATOM 1603 CA SER A 136 -18.094 11.275 16.259 1.00 0.00 C ATOM 1604 C SER A 136 -19.386 10.500 16.019 1.00 0.00 C ATOM 1605 O SER A 136 -19.408 9.525 15.269 1.00 0.00 O ATOM 1606 CB SER A 136 -17.830 12.224 15.089 1.00 0.00 C ATOM 1607 OG SER A 136 -18.725 13.323 15.112 1.00 0.00 O ATOM 0 H SER A 136 -17.109 9.437 16.038 1.00 0.00 H new ATOM 0 HA SER A 136 -18.206 11.859 17.173 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.803 12.586 15.135 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.936 11.684 14.148 1.00 0.00 H new ATOM 0 HG SER A 136 -18.535 13.916 14.355 1.00 0.00 H new ATOM 1613 N SER A 137 -20.462 10.942 16.663 1.00 0.00 N ATOM 1614 CA SER A 137 -21.758 10.289 16.524 1.00 0.00 C ATOM 1615 C SER A 137 -22.311 10.475 15.114 1.00 0.00 C ATOM 1616 O SER A 137 -21.725 11.178 14.293 1.00 0.00 O ATOM 1617 CB SER A 137 -22.746 10.847 17.550 1.00 0.00 C ATOM 1618 OG SER A 137 -23.740 9.890 17.873 1.00 0.00 O ATOM 0 H SER A 137 -20.461 11.750 17.286 1.00 0.00 H new ATOM 0 HA SER A 137 -21.622 9.223 16.704 1.00 0.00 H new ATOM 0 HB2 SER A 137 -22.211 11.139 18.453 1.00 0.00 H new ATOM 0 HB3 SER A 137 -23.218 11.746 17.154 1.00 0.00 H new ATOM 0 HG SER A 137 -24.358 10.270 18.532 1.00 0.00 H new ATOM 1624 N GLY A 138 -23.446 9.838 14.842 1.00 0.00 N ATOM 1625 CA GLY A 138 -24.061 9.945 13.532 1.00 0.00 C ATOM 1626 C GLY A 138 -23.714 8.776 12.631 1.00 0.00 C ATOM 1627 O GLY A 138 -24.261 8.644 11.537 1.00 0.00 O ATOM 0 H GLY A 138 -23.950 9.250 15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -25.143 10.003 13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -23.740 10.873 13.058 1.00 0.00 H new TER 1631 GLY A 138