USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 11 MET CE :methyl -175:sc= -0.649 (180deg=-0.422) USER MOD Set 1.2: A 59 ASN : amide:sc= -1.4 K(o=-2,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0286 (180deg=-0.115) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.32) USER MOD Single : A 5 HIS : no HE2:sc= 0.692 K(o=0.69,f=-2.6!) USER MOD Single : A 6 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -2.46 K(o=-2.5,f=-1.9) USER MOD Single : A 8 HIS : no HD1:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 9 SER OG : rot 160:sc= -0.876 USER MOD Single : A 10 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.023) USER MOD Single : A 22 THR OG1 : rot -22:sc= 0.298 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.2!) USER MOD Single : A 36 HIS : no HE2:sc= -4.55! K(o=-4.6!,f=-3.8) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.376 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 12:sc= 0.639 USER MOD Single : A 57 TYR OH : rot 100:sc= 1.5 USER MOD Single : A 62 ASN : amide:sc= -4.67! C(o=-4.7!,f=-6.1!) USER MOD Single : A 76 TYR OH : rot 110:sc=-0.00427 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 30:sc= -1.4 USER MOD Single : A 96 GLN : amide:sc= -0.95 K(o=-0.95,f=-0.35) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.116 24.341 21.277 1.00 22.21 N ATOM 2 CA MET A 1 12.273 24.933 19.922 1.00 51.33 C ATOM 3 C MET A 1 12.705 23.869 18.904 1.00 63.25 C ATOM 4 O MET A 1 13.186 22.798 19.278 1.00 74.53 O ATOM 5 CB MET A 1 13.303 26.072 19.953 1.00 31.32 C ATOM 6 CG MET A 1 12.955 27.193 20.923 1.00 3.13 C ATOM 7 SD MET A 1 11.343 27.924 20.580 1.00 45.30 S ATOM 8 CE MET A 1 11.269 29.204 21.835 1.00 43.21 C ATOM 0 H1 MET A 1 11.225 24.672 21.699 1.00 22.21 H new ATOM 0 H2 MET A 1 12.100 23.304 21.203 1.00 22.21 H new ATOM 0 H3 MET A 1 12.913 24.633 21.878 1.00 22.21 H new ATOM 0 HA MET A 1 11.306 25.333 19.616 1.00 51.33 H new ATOM 0 HB2 MET A 1 14.276 25.661 20.222 1.00 31.32 H new ATOM 0 HB3 MET A 1 13.399 26.489 18.951 1.00 31.32 H new ATOM 0 HG2 MET A 1 12.965 26.805 21.941 1.00 3.13 H new ATOM 0 HG3 MET A 1 13.721 27.967 20.869 1.00 3.13 H new ATOM 0 HE1 MET A 1 10.326 29.744 21.749 1.00 43.21 H new ATOM 0 HE2 MET A 1 11.338 28.749 22.823 1.00 43.21 H new ATOM 0 HE3 MET A 1 12.098 29.898 21.696 1.00 43.21 H new ATOM 20 N GLY A 2 12.521 24.161 17.617 1.00 2.34 N ATOM 21 CA GLY A 2 12.944 23.234 16.572 1.00 43.42 C ATOM 22 C GLY A 2 12.015 23.207 15.361 1.00 15.52 C ATOM 23 O GLY A 2 10.795 23.307 15.497 1.00 23.24 O ATOM 0 H GLY A 2 12.088 25.020 17.278 1.00 2.34 H new ATOM 0 HA2 GLY A 2 13.947 23.505 16.243 1.00 43.42 H new ATOM 0 HA3 GLY A 2 13.007 22.230 16.993 1.00 43.42 H new ATOM 27 N HIS A 3 12.600 23.080 14.170 1.00 51.55 N ATOM 28 CA HIS A 3 11.832 22.910 12.929 1.00 43.14 C ATOM 29 C HIS A 3 12.346 21.697 12.134 1.00 62.35 C ATOM 30 O HIS A 3 13.409 21.750 11.505 1.00 23.32 O ATOM 31 CB HIS A 3 11.888 24.185 12.071 1.00 12.41 C ATOM 32 CG HIS A 3 11.083 25.313 12.639 1.00 20.53 C ATOM 33 ND1 HIS A 3 11.634 26.355 13.348 1.00 22.34 N ATOM 34 CD2 HIS A 3 9.750 25.554 12.605 1.00 71.42 C ATOM 35 CE1 HIS A 3 10.682 27.183 13.727 1.00 3.43 C ATOM 36 NE2 HIS A 3 9.529 26.721 13.290 1.00 5.54 N ATOM 0 H HIS A 3 13.611 23.091 14.035 1.00 51.55 H new ATOM 0 HA HIS A 3 10.791 22.728 13.197 1.00 43.14 H new ATOM 0 HB2 HIS A 3 12.926 24.502 11.970 1.00 12.41 H new ATOM 0 HB3 HIS A 3 11.526 23.957 11.069 1.00 12.41 H new ATOM 0 HD2 HIS A 3 9.001 24.941 12.127 1.00 71.42 H new ATOM 0 HE1 HIS A 3 10.823 28.088 14.299 1.00 3.43 H new ATOM 0 HE2 HIS A 3 8.620 27.160 13.437 1.00 5.54 H new ATOM 45 N HIS A 4 11.596 20.597 12.195 1.00 52.22 N ATOM 46 CA HIS A 4 11.987 19.337 11.546 1.00 22.33 C ATOM 47 C HIS A 4 12.238 19.497 10.033 1.00 54.44 C ATOM 48 O HIS A 4 11.356 19.907 9.277 1.00 1.24 O ATOM 49 CB HIS A 4 10.919 18.260 11.801 1.00 24.14 C ATOM 50 CG HIS A 4 9.528 18.668 11.410 1.00 1.11 C ATOM 51 ND1 HIS A 4 8.623 19.206 12.298 1.00 64.20 N ATOM 52 CD2 HIS A 4 8.886 18.609 10.219 1.00 62.03 C ATOM 53 CE1 HIS A 4 7.492 19.460 11.675 1.00 30.31 C ATOM 54 NE2 HIS A 4 7.624 19.109 10.414 1.00 51.32 N ATOM 0 H HIS A 4 10.706 20.549 12.691 1.00 52.22 H new ATOM 0 HA HIS A 4 12.933 19.028 11.990 1.00 22.33 H new ATOM 0 HB2 HIS A 4 11.189 17.359 11.251 1.00 24.14 H new ATOM 0 HB3 HIS A 4 10.926 18.001 12.860 1.00 24.14 H new ATOM 0 HD2 HIS A 4 9.292 18.238 9.290 1.00 62.03 H new ATOM 0 HE1 HIS A 4 6.606 19.885 12.123 1.00 30.31 H new ATOM 0 HE2 HIS A 4 6.904 19.195 9.697 1.00 51.32 H new ATOM 63 N HIS A 5 13.453 19.167 9.603 1.00 55.24 N ATOM 64 CA HIS A 5 13.810 19.170 8.181 1.00 34.03 C ATOM 65 C HIS A 5 14.478 17.845 7.792 1.00 43.21 C ATOM 66 O HIS A 5 15.668 17.634 8.031 1.00 72.22 O ATOM 67 CB HIS A 5 14.710 20.373 7.848 1.00 2.12 C ATOM 68 CG HIS A 5 15.868 20.564 8.786 1.00 44.51 C ATOM 69 ND1 HIS A 5 15.766 21.256 9.975 1.00 61.34 N ATOM 70 CD2 HIS A 5 17.164 20.173 8.697 1.00 31.14 C ATOM 71 CE1 HIS A 5 16.944 21.284 10.570 1.00 71.12 C ATOM 72 NE2 HIS A 5 17.806 20.634 9.818 1.00 61.24 N ATOM 0 H HIS A 5 14.215 18.891 10.223 1.00 55.24 H new ATOM 0 HA HIS A 5 12.897 19.269 7.594 1.00 34.03 H new ATOM 0 HB2 HIS A 5 15.095 20.253 6.835 1.00 2.12 H new ATOM 0 HB3 HIS A 5 14.102 21.278 7.853 1.00 2.12 H new ATOM 0 HD1 HIS A 5 14.912 21.680 10.338 1.00 61.34 H new ATOM 0 HD2 HIS A 5 17.608 19.604 7.893 1.00 31.14 H new ATOM 0 HE1 HIS A 5 17.163 21.760 11.514 1.00 71.12 H new ATOM 81 N HIS A 6 13.692 16.947 7.209 1.00 23.43 N ATOM 82 CA HIS A 6 14.151 15.593 6.905 1.00 72.33 C ATOM 83 C HIS A 6 14.842 15.512 5.535 1.00 31.53 C ATOM 84 O HIS A 6 14.462 16.205 4.589 1.00 43.32 O ATOM 85 CB HIS A 6 12.969 14.618 6.971 1.00 73.15 C ATOM 86 CG HIS A 6 12.302 14.594 8.316 1.00 5.43 C ATOM 87 ND1 HIS A 6 11.057 15.137 8.553 1.00 12.50 N ATOM 88 CD2 HIS A 6 12.718 14.092 9.507 1.00 34.53 C ATOM 89 CE1 HIS A 6 10.737 14.975 9.821 1.00 72.43 C ATOM 90 NE2 HIS A 6 11.725 14.346 10.423 1.00 44.25 N ATOM 0 H HIS A 6 12.727 17.132 6.935 1.00 23.43 H new ATOM 0 HA HIS A 6 14.893 15.315 7.654 1.00 72.33 H new ATOM 0 HB2 HIS A 6 12.236 14.893 6.213 1.00 73.15 H new ATOM 0 HB3 HIS A 6 13.319 13.615 6.727 1.00 73.15 H new ATOM 0 HD2 HIS A 6 13.654 13.588 9.699 1.00 34.53 H new ATOM 0 HE1 HIS A 6 9.820 15.303 10.288 1.00 72.43 H new ATOM 0 HE2 HIS A 6 11.749 14.089 11.410 1.00 44.25 H new ATOM 99 N HIS A 7 15.862 14.659 5.449 1.00 73.30 N ATOM 100 CA HIS A 7 16.624 14.465 4.205 1.00 60.55 C ATOM 101 C HIS A 7 15.739 13.961 3.049 1.00 15.41 C ATOM 102 O HIS A 7 14.549 13.684 3.225 1.00 40.01 O ATOM 103 CB HIS A 7 17.779 13.481 4.442 1.00 62.10 C ATOM 104 CG HIS A 7 17.331 12.142 4.948 1.00 1.10 C ATOM 105 ND1 HIS A 7 16.803 11.163 4.135 1.00 24.23 N ATOM 106 CD2 HIS A 7 17.323 11.627 6.200 1.00 72.34 C ATOM 107 CE1 HIS A 7 16.487 10.112 4.862 1.00 0.03 C ATOM 108 NE2 HIS A 7 16.793 10.366 6.115 1.00 2.03 N ATOM 0 H HIS A 7 16.185 14.086 6.228 1.00 73.30 H new ATOM 0 HA HIS A 7 17.020 15.438 3.915 1.00 60.55 H new ATOM 0 HB2 HIS A 7 18.326 13.343 3.509 1.00 62.10 H new ATOM 0 HB3 HIS A 7 18.476 13.917 5.158 1.00 62.10 H new ATOM 0 HD1 HIS A 7 16.677 11.241 3.126 1.00 24.23 H new ATOM 0 HD2 HIS A 7 17.669 12.118 7.098 1.00 72.34 H new ATOM 0 HE1 HIS A 7 16.050 9.196 4.492 1.00 0.03 H new ATOM 117 N HIS A 8 16.336 13.826 1.868 1.00 54.14 N ATOM 118 CA HIS A 8 15.598 13.401 0.673 1.00 61.03 C ATOM 119 C HIS A 8 15.017 11.988 0.832 1.00 42.52 C ATOM 120 O HIS A 8 15.697 11.063 1.281 1.00 61.30 O ATOM 121 CB HIS A 8 16.505 13.468 -0.558 1.00 71.41 C ATOM 122 CG HIS A 8 17.039 14.844 -0.820 1.00 21.03 C ATOM 123 ND1 HIS A 8 18.362 15.185 -0.658 1.00 14.23 N ATOM 124 CD2 HIS A 8 16.413 15.975 -1.225 1.00 52.32 C ATOM 125 CE1 HIS A 8 18.527 16.457 -0.948 1.00 73.15 C ATOM 126 NE2 HIS A 8 17.361 16.961 -1.298 1.00 63.13 N ATOM 0 H HIS A 8 17.328 14.004 1.709 1.00 54.14 H new ATOM 0 HA HIS A 8 14.760 14.086 0.540 1.00 61.03 H new ATOM 0 HB2 HIS A 8 17.340 12.780 -0.425 1.00 71.41 H new ATOM 0 HB3 HIS A 8 15.948 13.128 -1.431 1.00 71.41 H new ATOM 0 HD2 HIS A 8 15.362 16.080 -1.449 1.00 52.32 H new ATOM 0 HE1 HIS A 8 19.461 16.998 -0.906 1.00 73.15 H new ATOM 0 HE2 HIS A 8 17.192 17.927 -1.578 1.00 63.13 H new ATOM 135 N SER A 9 13.746 11.841 0.480 1.00 61.44 N ATOM 136 CA SER A 9 13.053 10.551 0.550 1.00 52.23 C ATOM 137 C SER A 9 12.650 10.084 -0.855 1.00 23.03 C ATOM 138 O SER A 9 13.034 10.696 -1.851 1.00 72.11 O ATOM 139 CB SER A 9 11.816 10.676 1.450 1.00 15.31 C ATOM 140 OG SER A 9 12.168 11.134 2.750 1.00 13.30 O ATOM 0 H SER A 9 13.164 12.606 0.139 1.00 61.44 H new ATOM 0 HA SER A 9 13.727 9.808 0.976 1.00 52.23 H new ATOM 0 HB2 SER A 9 11.104 11.367 0.999 1.00 15.31 H new ATOM 0 HB3 SER A 9 11.319 9.709 1.525 1.00 15.31 H new ATOM 0 HG SER A 9 11.376 11.507 3.191 1.00 13.30 H new ATOM 146 N HIS A 10 11.884 8.999 -0.947 1.00 74.12 N ATOM 147 CA HIS A 10 11.444 8.478 -2.248 1.00 10.31 C ATOM 148 C HIS A 10 9.991 7.992 -2.201 1.00 14.23 C ATOM 149 O HIS A 10 9.620 7.197 -1.337 1.00 71.24 O ATOM 150 CB HIS A 10 12.354 7.327 -2.706 1.00 62.22 C ATOM 151 CG HIS A 10 13.771 7.743 -2.966 1.00 23.12 C ATOM 152 ND1 HIS A 10 14.809 7.464 -2.104 1.00 34.22 N ATOM 153 CD2 HIS A 10 14.322 8.415 -4.006 1.00 43.15 C ATOM 154 CE1 HIS A 10 15.931 7.946 -2.598 1.00 44.53 C ATOM 155 NE2 HIS A 10 15.664 8.525 -3.747 1.00 51.12 N ATOM 0 H HIS A 10 11.555 8.463 -0.144 1.00 74.12 H new ATOM 0 HA HIS A 10 11.509 9.299 -2.962 1.00 10.31 H new ATOM 0 HB2 HIS A 10 12.348 6.547 -1.945 1.00 62.22 H new ATOM 0 HB3 HIS A 10 11.941 6.889 -3.615 1.00 62.22 H new ATOM 0 HD2 HIS A 10 13.802 8.792 -4.874 1.00 43.15 H new ATOM 0 HE1 HIS A 10 16.905 7.877 -2.137 1.00 44.53 H new ATOM 0 HE2 HIS A 10 16.347 8.983 -4.350 1.00 51.12 H new ATOM 164 N MET A 11 9.176 8.489 -3.130 1.00 15.10 N ATOM 165 CA MET A 11 7.807 7.995 -3.301 1.00 20.12 C ATOM 166 C MET A 11 7.822 6.558 -3.847 1.00 22.23 C ATOM 167 O MET A 11 8.586 6.240 -4.760 1.00 1.02 O ATOM 168 CB MET A 11 7.022 8.917 -4.249 1.00 4.00 C ATOM 169 CG MET A 11 5.623 8.410 -4.581 1.00 21.54 C ATOM 170 SD MET A 11 4.596 8.162 -3.116 1.00 62.52 S ATOM 171 CE MET A 11 4.458 9.840 -2.502 1.00 42.15 C ATOM 0 H MET A 11 9.438 9.233 -3.777 1.00 15.10 H new ATOM 0 HA MET A 11 7.314 7.993 -2.329 1.00 20.12 H new ATOM 0 HB2 MET A 11 6.942 9.905 -3.796 1.00 4.00 H new ATOM 0 HB3 MET A 11 7.585 9.035 -5.175 1.00 4.00 H new ATOM 0 HG2 MET A 11 5.133 9.122 -5.245 1.00 21.54 H new ATOM 0 HG3 MET A 11 5.703 7.469 -5.125 1.00 21.54 H new ATOM 0 HE1 MET A 11 3.926 9.837 -1.551 1.00 42.15 H new ATOM 0 HE2 MET A 11 5.454 10.258 -2.359 1.00 42.15 H new ATOM 0 HE3 MET A 11 3.910 10.447 -3.222 1.00 42.15 H new ATOM 181 N VAL A 12 6.988 5.694 -3.280 1.00 2.41 N ATOM 182 CA VAL A 12 6.935 4.285 -3.678 1.00 44.13 C ATOM 183 C VAL A 12 5.484 3.840 -3.937 1.00 13.22 C ATOM 184 O VAL A 12 4.563 4.263 -3.240 1.00 35.12 O ATOM 185 CB VAL A 12 7.582 3.389 -2.588 1.00 5.14 C ATOM 186 CG1 VAL A 12 7.407 1.911 -2.908 1.00 73.22 C ATOM 187 CG2 VAL A 12 9.066 3.723 -2.427 1.00 51.33 C ATOM 0 H VAL A 12 6.334 5.943 -2.538 1.00 2.41 H new ATOM 0 HA VAL A 12 7.498 4.175 -4.605 1.00 44.13 H new ATOM 0 HB VAL A 12 7.071 3.593 -1.647 1.00 5.14 H new ATOM 0 HG11 VAL A 12 7.871 1.312 -2.125 1.00 73.22 H new ATOM 0 HG12 VAL A 12 6.345 1.674 -2.964 1.00 73.22 H new ATOM 0 HG13 VAL A 12 7.880 1.687 -3.864 1.00 73.22 H new ATOM 0 HG21 VAL A 12 9.501 3.084 -1.658 1.00 51.33 H new ATOM 0 HG22 VAL A 12 9.581 3.556 -3.373 1.00 51.33 H new ATOM 0 HG23 VAL A 12 9.174 4.768 -2.135 1.00 51.33 H new ATOM 197 N VAL A 13 5.282 2.994 -4.947 1.00 61.12 N ATOM 198 CA VAL A 13 3.935 2.551 -5.330 1.00 3.33 C ATOM 199 C VAL A 13 3.754 1.032 -5.155 1.00 44.31 C ATOM 200 O VAL A 13 4.702 0.254 -5.297 1.00 4.40 O ATOM 201 CB VAL A 13 3.611 2.943 -6.798 1.00 71.35 C ATOM 202 CG1 VAL A 13 3.719 4.456 -6.992 1.00 60.15 C ATOM 203 CG2 VAL A 13 4.524 2.209 -7.780 1.00 40.53 C ATOM 0 H VAL A 13 6.031 2.600 -5.516 1.00 61.12 H new ATOM 0 HA VAL A 13 3.241 3.059 -4.660 1.00 3.33 H new ATOM 0 HB VAL A 13 2.584 2.642 -7.004 1.00 71.35 H new ATOM 0 HG11 VAL A 13 3.488 4.708 -8.027 1.00 60.15 H new ATOM 0 HG12 VAL A 13 3.014 4.959 -6.330 1.00 60.15 H new ATOM 0 HG13 VAL A 13 4.732 4.782 -6.757 1.00 60.15 H new ATOM 0 HG21 VAL A 13 4.274 2.503 -8.799 1.00 40.53 H new ATOM 0 HG22 VAL A 13 5.563 2.466 -7.573 1.00 40.53 H new ATOM 0 HG23 VAL A 13 4.387 1.133 -7.669 1.00 40.53 H new ATOM 213 N ILE A 14 2.527 0.623 -4.833 1.00 31.44 N ATOM 214 CA ILE A 14 2.182 -0.800 -4.704 1.00 11.31 C ATOM 215 C ILE A 14 1.312 -1.243 -5.901 1.00 72.02 C ATOM 216 O ILE A 14 0.294 -0.618 -6.213 1.00 60.42 O ATOM 217 CB ILE A 14 1.447 -1.076 -3.357 1.00 11.52 C ATOM 218 CG1 ILE A 14 1.334 -2.587 -3.084 1.00 61.41 C ATOM 219 CG2 ILE A 14 0.068 -0.416 -3.327 1.00 43.45 C ATOM 220 CD1 ILE A 14 2.656 -3.253 -2.762 1.00 12.22 C ATOM 0 H ILE A 14 1.749 1.258 -4.655 1.00 31.44 H new ATOM 0 HA ILE A 14 3.104 -1.381 -4.705 1.00 11.31 H new ATOM 0 HB ILE A 14 2.047 -0.632 -2.563 1.00 11.52 H new ATOM 0 HG12 ILE A 14 0.646 -2.746 -2.253 1.00 61.41 H new ATOM 0 HG13 ILE A 14 0.897 -3.072 -3.957 1.00 61.41 H new ATOM 0 HG21 ILE A 14 -0.416 -0.629 -2.374 1.00 43.45 H new ATOM 0 HG22 ILE A 14 0.178 0.662 -3.446 1.00 43.45 H new ATOM 0 HG23 ILE A 14 -0.542 -0.810 -4.140 1.00 43.45 H new ATOM 0 HD11 ILE A 14 2.494 -4.316 -2.582 1.00 12.22 H new ATOM 0 HD12 ILE A 14 3.341 -3.127 -3.601 1.00 12.22 H new ATOM 0 HD13 ILE A 14 3.086 -2.796 -1.871 1.00 12.22 H new ATOM 232 N ARG A 15 1.727 -2.306 -6.588 1.00 53.22 N ATOM 233 CA ARG A 15 1.086 -2.715 -7.849 1.00 31.21 C ATOM 234 C ARG A 15 0.445 -4.113 -7.762 1.00 33.23 C ATOM 235 O ARG A 15 0.748 -4.891 -6.854 1.00 21.30 O ATOM 236 CB ARG A 15 2.125 -2.678 -8.978 1.00 42.15 C ATOM 237 CG ARG A 15 2.764 -1.303 -9.177 1.00 11.12 C ATOM 238 CD ARG A 15 3.883 -1.328 -10.215 1.00 12.14 C ATOM 239 NE ARG A 15 3.409 -1.674 -11.556 1.00 73.12 N ATOM 240 CZ ARG A 15 4.198 -2.000 -12.548 1.00 42.31 C ATOM 241 NH1 ARG A 15 5.479 -2.093 -12.374 1.00 53.50 N ATOM 242 NH2 ARG A 15 3.703 -2.251 -13.715 1.00 72.51 N ATOM 0 H ARG A 15 2.502 -2.902 -6.298 1.00 53.22 H new ATOM 0 HA ARG A 15 0.278 -2.012 -8.055 1.00 31.21 H new ATOM 0 HB2 ARG A 15 2.908 -3.406 -8.764 1.00 42.15 H new ATOM 0 HB3 ARG A 15 1.649 -2.986 -9.909 1.00 42.15 H new ATOM 0 HG2 ARG A 15 1.999 -0.591 -9.488 1.00 11.12 H new ATOM 0 HG3 ARG A 15 3.162 -0.949 -8.226 1.00 11.12 H new ATOM 0 HD2 ARG A 15 4.364 -0.351 -10.246 1.00 12.14 H new ATOM 0 HD3 ARG A 15 4.642 -2.047 -9.907 1.00 12.14 H new ATOM 0 HE ARG A 15 2.404 -1.660 -11.728 1.00 73.12 H new ATOM 0 HH11 ARG A 15 5.883 -1.911 -11.455 1.00 53.50 H new ATOM 0 HH12 ARG A 15 6.083 -2.348 -13.156 1.00 53.50 H new ATOM 0 HH21 ARG A 15 2.696 -2.195 -13.864 1.00 72.51 H new ATOM 0 HH22 ARG A 15 4.320 -2.505 -14.487 1.00 72.51 H new ATOM 256 N ARG A 16 -0.444 -4.409 -8.727 1.00 44.44 N ATOM 257 CA ARG A 16 -1.151 -5.703 -8.819 1.00 63.40 C ATOM 258 C ARG A 16 -2.231 -5.850 -7.736 1.00 13.42 C ATOM 259 O ARG A 16 -2.544 -6.963 -7.306 1.00 15.42 O ATOM 260 CB ARG A 16 -0.173 -6.886 -8.750 1.00 50.45 C ATOM 261 CG ARG A 16 0.835 -6.939 -9.893 1.00 15.33 C ATOM 262 CD ARG A 16 1.735 -8.166 -9.778 1.00 25.33 C ATOM 263 NE ARG A 16 2.770 -8.202 -10.809 1.00 2.10 N ATOM 264 CZ ARG A 16 3.781 -9.032 -10.810 1.00 11.04 C ATOM 265 NH1 ARG A 16 3.950 -9.881 -9.844 1.00 22.33 N ATOM 266 NH2 ARG A 16 4.637 -9.003 -11.775 1.00 0.01 N ATOM 0 H ARG A 16 -0.695 -3.756 -9.469 1.00 44.44 H new ATOM 0 HA ARG A 16 -1.644 -5.715 -9.791 1.00 63.40 H new ATOM 0 HB2 ARG A 16 0.369 -6.838 -7.806 1.00 50.45 H new ATOM 0 HB3 ARG A 16 -0.745 -7.814 -8.743 1.00 50.45 H new ATOM 0 HG2 ARG A 16 0.307 -6.960 -10.846 1.00 15.33 H new ATOM 0 HG3 ARG A 16 1.445 -6.035 -9.886 1.00 15.33 H new ATOM 0 HD2 ARG A 16 2.206 -8.176 -8.795 1.00 25.33 H new ATOM 0 HD3 ARG A 16 1.126 -9.067 -9.848 1.00 25.33 H new ATOM 0 HE ARG A 16 2.699 -7.536 -11.578 1.00 2.10 H new ATOM 0 HH11 ARG A 16 3.289 -9.909 -9.068 1.00 22.33 H new ATOM 0 HH12 ARG A 16 4.744 -10.521 -9.861 1.00 22.33 H new ATOM 0 HH21 ARG A 16 4.525 -8.333 -12.536 1.00 0.01 H new ATOM 0 HH22 ARG A 16 5.426 -9.650 -11.777 1.00 0.01 H new ATOM 280 N LEU A 17 -2.821 -4.728 -7.324 1.00 70.02 N ATOM 281 CA LEU A 17 -3.881 -4.736 -6.301 1.00 3.33 C ATOM 282 C LEU A 17 -5.289 -4.715 -6.924 1.00 22.02 C ATOM 283 O LEU A 17 -5.739 -3.685 -7.429 1.00 61.33 O ATOM 284 CB LEU A 17 -3.724 -3.536 -5.341 1.00 2.21 C ATOM 285 CG LEU A 17 -2.776 -3.747 -4.148 1.00 5.35 C ATOM 286 CD1 LEU A 17 -3.309 -4.834 -3.216 1.00 52.31 C ATOM 287 CD2 LEU A 17 -1.371 -4.090 -4.626 1.00 1.22 C ATOM 0 H LEU A 17 -2.587 -3.801 -7.679 1.00 70.02 H new ATOM 0 HA LEU A 17 -3.772 -5.666 -5.743 1.00 3.33 H new ATOM 0 HB2 LEU A 17 -3.368 -2.681 -5.915 1.00 2.21 H new ATOM 0 HB3 LEU A 17 -4.709 -3.274 -4.955 1.00 2.21 H new ATOM 0 HG LEU A 17 -2.726 -2.813 -3.588 1.00 5.35 H new ATOM 0 HD11 LEU A 17 -2.622 -4.965 -2.380 1.00 52.31 H new ATOM 0 HD12 LEU A 17 -4.289 -4.541 -2.838 1.00 52.31 H new ATOM 0 HD13 LEU A 17 -3.397 -5.772 -3.764 1.00 52.31 H new ATOM 0 HD21 LEU A 17 -0.719 -4.235 -3.765 1.00 1.22 H new ATOM 0 HD22 LEU A 17 -1.401 -5.006 -5.216 1.00 1.22 H new ATOM 0 HD23 LEU A 17 -0.986 -3.275 -5.240 1.00 1.22 H new ATOM 299 N PRO A 18 -6.001 -5.859 -6.914 1.00 40.23 N ATOM 300 CA PRO A 18 -7.414 -5.902 -7.308 1.00 71.43 C ATOM 301 C PRO A 18 -8.339 -5.419 -6.170 1.00 73.32 C ATOM 302 O PRO A 18 -8.062 -5.660 -4.992 1.00 24.54 O ATOM 303 CB PRO A 18 -7.637 -7.389 -7.609 1.00 43.53 C ATOM 304 CG PRO A 18 -6.696 -8.099 -6.694 1.00 62.04 C ATOM 305 CD PRO A 18 -5.492 -7.198 -6.544 1.00 21.43 C ATOM 0 HA PRO A 18 -7.641 -5.249 -8.150 1.00 71.43 H new ATOM 0 HB2 PRO A 18 -8.670 -7.682 -7.421 1.00 43.53 H new ATOM 0 HB3 PRO A 18 -7.425 -7.619 -8.653 1.00 43.53 H new ATOM 0 HG2 PRO A 18 -7.162 -8.289 -5.727 1.00 62.04 H new ATOM 0 HG3 PRO A 18 -6.409 -9.067 -7.105 1.00 62.04 H new ATOM 0 HD2 PRO A 18 -5.108 -7.211 -5.524 1.00 21.43 H new ATOM 0 HD3 PRO A 18 -4.676 -7.510 -7.196 1.00 21.43 H new ATOM 313 N PRO A 19 -9.445 -4.722 -6.500 1.00 34.44 N ATOM 314 CA PRO A 19 -10.385 -4.201 -5.484 1.00 41.14 C ATOM 315 C PRO A 19 -10.977 -5.305 -4.586 1.00 4.33 C ATOM 316 O PRO A 19 -11.570 -6.269 -5.074 1.00 43.45 O ATOM 317 CB PRO A 19 -11.491 -3.535 -6.326 1.00 25.33 C ATOM 318 CG PRO A 19 -10.858 -3.268 -7.652 1.00 52.41 C ATOM 319 CD PRO A 19 -9.870 -4.380 -7.870 1.00 43.05 C ATOM 0 HA PRO A 19 -9.888 -3.523 -4.790 1.00 41.14 H new ATOM 0 HB2 PRO A 19 -12.358 -4.188 -6.427 1.00 25.33 H new ATOM 0 HB3 PRO A 19 -11.839 -2.612 -5.862 1.00 25.33 H new ATOM 0 HG2 PRO A 19 -11.606 -3.249 -8.445 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -10.361 -2.298 -7.659 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -10.326 -5.231 -8.375 1.00 43.05 H new ATOM 0 HD3 PRO A 19 -9.029 -4.058 -8.484 1.00 43.05 H new ATOM 327 N GLY A 20 -10.803 -5.164 -3.272 1.00 50.31 N ATOM 328 CA GLY A 20 -11.347 -6.138 -2.330 1.00 51.45 C ATOM 329 C GLY A 20 -11.615 -5.550 -0.949 1.00 63.41 C ATOM 330 O GLY A 20 -12.532 -4.745 -0.778 1.00 54.40 O ATOM 0 H GLY A 20 -10.295 -4.392 -2.840 1.00 50.31 H new ATOM 0 HA2 GLY A 20 -12.275 -6.544 -2.732 1.00 51.45 H new ATOM 0 HA3 GLY A 20 -10.650 -6.971 -2.235 1.00 51.45 H new ATOM 334 N LEU A 21 -10.823 -5.957 0.040 1.00 65.22 N ATOM 335 CA LEU A 21 -10.966 -5.438 1.409 1.00 72.44 C ATOM 336 C LEU A 21 -10.714 -3.919 1.475 1.00 15.11 C ATOM 337 O LEU A 21 -10.052 -3.342 0.610 1.00 61.02 O ATOM 338 CB LEU A 21 -10.034 -6.180 2.390 1.00 11.33 C ATOM 339 CG LEU A 21 -8.518 -5.927 2.242 1.00 25.20 C ATOM 340 CD1 LEU A 21 -7.748 -6.633 3.358 1.00 72.15 C ATOM 341 CD2 LEU A 21 -8.003 -6.377 0.877 1.00 70.40 C ATOM 0 H LEU A 21 -10.076 -6.642 -0.074 1.00 65.22 H new ATOM 0 HA LEU A 21 -11.998 -5.619 1.710 1.00 72.44 H new ATOM 0 HB2 LEU A 21 -10.325 -5.909 3.405 1.00 11.33 H new ATOM 0 HB3 LEU A 21 -10.211 -7.250 2.282 1.00 11.33 H new ATOM 0 HG LEU A 21 -8.354 -4.852 2.322 1.00 25.20 H new ATOM 0 HD11 LEU A 21 -6.681 -6.445 3.239 1.00 72.15 H new ATOM 0 HD12 LEU A 21 -8.078 -6.253 4.325 1.00 72.15 H new ATOM 0 HD13 LEU A 21 -7.935 -7.706 3.307 1.00 72.15 H new ATOM 0 HD21 LEU A 21 -6.932 -6.183 0.810 1.00 70.40 H new ATOM 0 HD22 LEU A 21 -8.187 -7.444 0.752 1.00 70.40 H new ATOM 0 HD23 LEU A 21 -8.521 -5.826 0.093 1.00 70.40 H new ATOM 353 N THR A 22 -11.243 -3.275 2.516 1.00 72.55 N ATOM 354 CA THR A 22 -11.127 -1.819 2.676 1.00 53.41 C ATOM 355 C THR A 22 -9.757 -1.441 3.255 1.00 43.14 C ATOM 356 O THR A 22 -9.136 -2.237 3.963 1.00 22.12 O ATOM 357 CB THR A 22 -12.249 -1.262 3.599 1.00 31.23 C ATOM 358 OG1 THR A 22 -13.542 -1.584 3.062 1.00 45.51 O ATOM 359 CG2 THR A 22 -12.150 0.253 3.767 1.00 11.22 C ATOM 0 H THR A 22 -11.758 -3.738 3.265 1.00 72.55 H new ATOM 0 HA THR A 22 -11.233 -1.375 1.686 1.00 53.41 H new ATOM 0 HB THR A 22 -12.119 -1.729 4.575 1.00 31.23 H new ATOM 0 HG1 THR A 22 -13.463 -1.758 2.101 1.00 45.51 H new ATOM 0 HG21 THR A 22 -12.952 0.600 4.419 1.00 11.22 H new ATOM 0 HG22 THR A 22 -11.187 0.508 4.210 1.00 11.22 H new ATOM 0 HG23 THR A 22 -12.240 0.734 2.793 1.00 11.22 H new ATOM 367 N LYS A 23 -9.296 -0.218 2.959 1.00 4.24 N ATOM 368 CA LYS A 23 -7.996 0.276 3.448 1.00 41.31 C ATOM 369 C LYS A 23 -7.765 -0.049 4.936 1.00 72.13 C ATOM 370 O LYS A 23 -6.635 -0.272 5.350 1.00 44.44 O ATOM 371 CB LYS A 23 -7.873 1.793 3.233 1.00 13.45 C ATOM 372 CG LYS A 23 -8.945 2.613 3.948 1.00 51.24 C ATOM 373 CD LYS A 23 -8.555 4.085 4.058 1.00 12.15 C ATOM 374 CE LYS A 23 -7.320 4.271 4.936 1.00 74.34 C ATOM 375 NZ LYS A 23 -6.961 5.702 5.119 1.00 55.01 N ATOM 0 H LYS A 23 -9.804 0.452 2.381 1.00 4.24 H new ATOM 0 HA LYS A 23 -7.231 -0.241 2.868 1.00 41.31 H new ATOM 0 HB2 LYS A 23 -6.892 2.119 3.577 1.00 13.45 H new ATOM 0 HB3 LYS A 23 -7.923 2.003 2.165 1.00 13.45 H new ATOM 0 HG2 LYS A 23 -9.888 2.526 3.409 1.00 51.24 H new ATOM 0 HG3 LYS A 23 -9.109 2.205 4.945 1.00 51.24 H new ATOM 0 HD2 LYS A 23 -8.360 4.486 3.064 1.00 12.15 H new ATOM 0 HD3 LYS A 23 -9.387 4.653 4.473 1.00 12.15 H new ATOM 0 HE2 LYS A 23 -7.500 3.817 5.911 1.00 74.34 H new ATOM 0 HE3 LYS A 23 -6.478 3.743 4.489 1.00 74.34 H new ATOM 0 HZ1 LYS A 23 -6.117 5.774 5.722 1.00 55.01 H new ATOM 0 HZ2 LYS A 23 -6.762 6.131 4.193 1.00 55.01 H new ATOM 0 HZ3 LYS A 23 -7.752 6.203 5.570 1.00 55.01 H new ATOM 389 N GLU A 24 -8.848 -0.097 5.716 1.00 42.52 N ATOM 390 CA GLU A 24 -8.780 -0.387 7.158 1.00 12.33 C ATOM 391 C GLU A 24 -7.891 -1.607 7.462 1.00 34.11 C ATOM 392 O GLU A 24 -7.013 -1.552 8.323 1.00 63.52 O ATOM 393 CB GLU A 24 -10.194 -0.634 7.694 1.00 23.51 C ATOM 394 CG GLU A 24 -11.189 0.459 7.321 1.00 75.45 C ATOM 395 CD GLU A 24 -12.596 0.169 7.819 1.00 13.53 C ATOM 396 OE1 GLU A 24 -13.209 -0.814 7.350 1.00 3.12 O ATOM 397 OE2 GLU A 24 -13.100 0.929 8.672 1.00 23.02 O ATOM 0 H GLU A 24 -9.795 0.063 5.372 1.00 42.52 H new ATOM 0 HA GLU A 24 -8.333 0.476 7.651 1.00 12.33 H new ATOM 0 HB2 GLU A 24 -10.556 -1.589 7.313 1.00 23.51 H new ATOM 0 HB3 GLU A 24 -10.152 -0.720 8.780 1.00 23.51 H new ATOM 0 HG2 GLU A 24 -10.851 1.409 7.735 1.00 75.45 H new ATOM 0 HG3 GLU A 24 -11.208 0.572 6.237 1.00 75.45 H new ATOM 404 N GLN A 25 -8.132 -2.704 6.746 1.00 74.43 N ATOM 405 CA GLN A 25 -7.357 -3.943 6.924 1.00 31.11 C ATOM 406 C GLN A 25 -6.376 -4.155 5.761 1.00 54.43 C ATOM 407 O GLN A 25 -5.522 -5.039 5.803 1.00 41.13 O ATOM 408 CB GLN A 25 -8.316 -5.136 7.020 1.00 43.01 C ATOM 409 CG GLN A 25 -9.418 -4.954 8.058 1.00 2.41 C ATOM 410 CD GLN A 25 -10.381 -6.128 8.104 1.00 20.12 C ATOM 411 OE1 GLN A 25 -10.176 -7.089 8.840 1.00 22.11 O ATOM 412 NE2 GLN A 25 -11.441 -6.061 7.323 1.00 1.22 N ATOM 0 H GLN A 25 -8.859 -2.766 6.033 1.00 74.43 H new ATOM 0 HA GLN A 25 -6.778 -3.859 7.844 1.00 31.11 H new ATOM 0 HB2 GLN A 25 -8.772 -5.304 6.044 1.00 43.01 H new ATOM 0 HB3 GLN A 25 -7.744 -6.032 7.263 1.00 43.01 H new ATOM 0 HG2 GLN A 25 -8.967 -4.821 9.041 1.00 2.41 H new ATOM 0 HG3 GLN A 25 -9.973 -4.043 7.836 1.00 2.41 H new ATOM 0 HE21 GLN A 25 -11.582 -5.248 6.723 1.00 1.22 H new ATOM 0 HE22 GLN A 25 -12.120 -6.822 7.319 1.00 1.22 H new ATOM 421 N LEU A 26 -6.517 -3.347 4.715 1.00 73.13 N ATOM 422 CA LEU A 26 -5.653 -3.431 3.533 1.00 44.31 C ATOM 423 C LEU A 26 -4.309 -2.702 3.751 1.00 62.24 C ATOM 424 O LEU A 26 -3.266 -3.145 3.267 1.00 74.33 O ATOM 425 CB LEU A 26 -6.404 -2.858 2.318 1.00 71.23 C ATOM 426 CG LEU A 26 -5.551 -2.529 1.080 1.00 24.32 C ATOM 427 CD1 LEU A 26 -4.954 -3.798 0.468 1.00 71.42 C ATOM 428 CD2 LEU A 26 -6.382 -1.767 0.049 1.00 33.11 C ATOM 0 H LEU A 26 -7.228 -2.618 4.658 1.00 73.13 H new ATOM 0 HA LEU A 26 -5.413 -4.478 3.350 1.00 44.31 H new ATOM 0 HB2 LEU A 26 -7.173 -3.572 2.023 1.00 71.23 H new ATOM 0 HB3 LEU A 26 -6.917 -1.949 2.631 1.00 71.23 H new ATOM 0 HG LEU A 26 -4.724 -1.893 1.396 1.00 24.32 H new ATOM 0 HD11 LEU A 26 -4.357 -3.535 -0.405 1.00 71.42 H new ATOM 0 HD12 LEU A 26 -4.322 -4.294 1.204 1.00 71.42 H new ATOM 0 HD13 LEU A 26 -5.758 -4.470 0.168 1.00 71.42 H new ATOM 0 HD21 LEU A 26 -5.765 -1.541 -0.821 1.00 33.11 H new ATOM 0 HD22 LEU A 26 -7.231 -2.378 -0.257 1.00 33.11 H new ATOM 0 HD23 LEU A 26 -6.743 -0.837 0.488 1.00 33.11 H new ATOM 440 N GLU A 27 -4.335 -1.604 4.504 1.00 40.22 N ATOM 441 CA GLU A 27 -3.133 -0.784 4.721 1.00 11.12 C ATOM 442 C GLU A 27 -2.113 -1.475 5.642 1.00 74.33 C ATOM 443 O GLU A 27 -0.905 -1.342 5.450 1.00 51.13 O ATOM 444 CB GLU A 27 -3.514 0.583 5.323 1.00 63.42 C ATOM 445 CG GLU A 27 -4.083 0.499 6.737 1.00 73.11 C ATOM 446 CD GLU A 27 -4.353 1.861 7.354 1.00 11.21 C ATOM 447 OE1 GLU A 27 -5.463 2.401 7.167 1.00 12.34 O ATOM 448 OE2 GLU A 27 -3.454 2.393 8.042 1.00 31.31 O ATOM 0 H GLU A 27 -5.171 -1.258 4.975 1.00 40.22 H new ATOM 0 HA GLU A 27 -2.668 -0.645 3.745 1.00 11.12 H new ATOM 0 HB2 GLU A 27 -2.632 1.223 5.334 1.00 63.42 H new ATOM 0 HB3 GLU A 27 -4.247 1.063 4.675 1.00 63.42 H new ATOM 0 HG2 GLU A 27 -5.010 -0.073 6.715 1.00 73.11 H new ATOM 0 HG3 GLU A 27 -3.385 -0.048 7.371 1.00 73.11 H new ATOM 455 N GLU A 28 -2.602 -2.220 6.631 1.00 4.34 N ATOM 456 CA GLU A 28 -1.748 -2.764 7.698 1.00 73.02 C ATOM 457 C GLU A 28 -0.516 -3.529 7.164 1.00 34.31 C ATOM 458 O GLU A 28 0.599 -3.320 7.644 1.00 55.55 O ATOM 459 CB GLU A 28 -2.569 -3.658 8.638 1.00 1.34 C ATOM 460 CG GLU A 28 -3.172 -4.890 7.973 1.00 2.21 C ATOM 461 CD GLU A 28 -3.736 -5.873 8.983 1.00 72.35 C ATOM 462 OE1 GLU A 28 -4.922 -5.750 9.347 1.00 72.34 O ATOM 463 OE2 GLU A 28 -2.987 -6.768 9.434 1.00 31.24 O ATOM 0 H GLU A 28 -3.588 -2.464 6.720 1.00 4.34 H new ATOM 0 HA GLU A 28 -1.363 -1.908 8.253 1.00 73.02 H new ATOM 0 HB2 GLU A 28 -1.931 -3.981 9.461 1.00 1.34 H new ATOM 0 HB3 GLU A 28 -3.374 -3.065 9.072 1.00 1.34 H new ATOM 0 HG2 GLU A 28 -3.963 -4.581 7.290 1.00 2.21 H new ATOM 0 HG3 GLU A 28 -2.409 -5.386 7.373 1.00 2.21 H new ATOM 470 N GLN A 29 -0.709 -4.402 6.172 1.00 32.43 N ATOM 471 CA GLN A 29 0.414 -5.158 5.590 1.00 31.13 C ATOM 472 C GLN A 29 1.170 -4.346 4.525 1.00 11.43 C ATOM 473 O GLN A 29 2.246 -4.745 4.083 1.00 71.44 O ATOM 474 CB GLN A 29 -0.057 -6.494 4.986 1.00 63.15 C ATOM 475 CG GLN A 29 -1.204 -6.382 3.979 1.00 22.32 C ATOM 476 CD GLN A 29 -2.572 -6.464 4.632 1.00 51.10 C ATOM 477 OE1 GLN A 29 -2.747 -7.123 5.652 1.00 44.54 O ATOM 478 NE2 GLN A 29 -3.550 -5.801 4.059 1.00 14.01 N ATOM 0 H GLN A 29 -1.618 -4.605 5.756 1.00 32.43 H new ATOM 0 HA GLN A 29 1.100 -5.365 6.411 1.00 31.13 H new ATOM 0 HB2 GLN A 29 0.791 -6.972 4.496 1.00 63.15 H new ATOM 0 HB3 GLN A 29 -0.369 -7.152 5.797 1.00 63.15 H new ATOM 0 HG2 GLN A 29 -1.119 -5.437 3.442 1.00 22.32 H new ATOM 0 HG3 GLN A 29 -1.111 -7.178 3.240 1.00 22.32 H new ATOM 0 HE21 GLN A 29 -3.373 -5.262 3.211 1.00 14.01 H new ATOM 0 HE22 GLN A 29 -4.487 -5.825 4.462 1.00 14.01 H new ATOM 487 N LEU A 30 0.607 -3.210 4.113 1.00 71.35 N ATOM 488 CA LEU A 30 1.258 -2.335 3.129 1.00 62.34 C ATOM 489 C LEU A 30 2.134 -1.267 3.808 1.00 51.25 C ATOM 490 O LEU A 30 3.005 -0.674 3.173 1.00 22.34 O ATOM 491 CB LEU A 30 0.207 -1.660 2.236 1.00 62.34 C ATOM 492 CG LEU A 30 -0.656 -2.619 1.394 1.00 60.21 C ATOM 493 CD1 LEU A 30 -1.648 -1.841 0.530 1.00 34.04 C ATOM 494 CD2 LEU A 30 0.222 -3.521 0.526 1.00 31.01 C ATOM 0 H LEU A 30 -0.297 -2.872 4.443 1.00 71.35 H new ATOM 0 HA LEU A 30 1.906 -2.959 2.514 1.00 62.34 H new ATOM 0 HB2 LEU A 30 -0.452 -1.063 2.867 1.00 62.34 H new ATOM 0 HB3 LEU A 30 0.715 -0.970 1.563 1.00 62.34 H new ATOM 0 HG LEU A 30 -1.222 -3.251 2.078 1.00 60.21 H new ATOM 0 HD11 LEU A 30 -2.246 -2.539 -0.056 1.00 34.04 H new ATOM 0 HD12 LEU A 30 -2.303 -1.250 1.170 1.00 34.04 H new ATOM 0 HD13 LEU A 30 -1.103 -1.178 -0.142 1.00 34.04 H new ATOM 0 HD21 LEU A 30 -0.410 -4.189 -0.059 1.00 31.01 H new ATOM 0 HD22 LEU A 30 0.822 -2.907 -0.146 1.00 31.01 H new ATOM 0 HD23 LEU A 30 0.881 -4.110 1.164 1.00 31.01 H new ATOM 506 N ARG A 31 1.907 -1.016 5.101 1.00 25.24 N ATOM 507 CA ARG A 31 2.719 -0.038 5.844 1.00 23.25 C ATOM 508 C ARG A 31 3.208 -0.559 7.220 1.00 20.21 C ATOM 509 O ARG A 31 3.232 0.198 8.189 1.00 43.30 O ATOM 510 CB ARG A 31 1.936 1.288 5.996 1.00 10.42 C ATOM 511 CG ARG A 31 0.504 1.160 6.533 1.00 2.20 C ATOM 512 CD ARG A 31 0.444 0.949 8.046 1.00 64.31 C ATOM 513 NE ARG A 31 -0.926 1.021 8.557 1.00 64.55 N ATOM 514 CZ ARG A 31 -1.349 0.423 9.637 1.00 34.21 C ATOM 515 NH1 ARG A 31 -0.549 -0.295 10.359 1.00 25.43 N ATOM 516 NH2 ARG A 31 -2.579 0.562 10.003 1.00 33.33 N ATOM 0 H ARG A 31 1.178 -1.468 5.652 1.00 25.24 H new ATOM 0 HA ARG A 31 3.622 0.136 5.259 1.00 23.25 H new ATOM 0 HB2 ARG A 31 2.496 1.945 6.662 1.00 10.42 H new ATOM 0 HB3 ARG A 31 1.897 1.778 5.023 1.00 10.42 H new ATOM 0 HG2 ARG A 31 -0.055 2.060 6.276 1.00 2.20 H new ATOM 0 HG3 ARG A 31 0.010 0.325 6.036 1.00 2.20 H new ATOM 0 HD2 ARG A 31 0.872 -0.022 8.294 1.00 64.31 H new ATOM 0 HD3 ARG A 31 1.056 1.703 8.542 1.00 64.31 H new ATOM 0 HE ARG A 31 -1.599 1.579 8.031 1.00 64.55 H new ATOM 0 HH11 ARG A 31 0.428 -0.400 10.086 1.00 25.43 H new ATOM 0 HH12 ARG A 31 -0.896 -0.756 11.200 1.00 25.43 H new ATOM 0 HH21 ARG A 31 -3.214 1.137 9.449 1.00 33.33 H new ATOM 0 HH22 ARG A 31 -2.916 0.097 10.846 1.00 33.33 H new ATOM 530 N PRO A 32 3.695 -1.818 7.319 1.00 41.20 N ATOM 531 CA PRO A 32 4.114 -2.410 8.608 1.00 54.22 C ATOM 532 C PRO A 32 5.527 -1.969 9.050 1.00 21.33 C ATOM 533 O PRO A 32 6.283 -2.742 9.646 1.00 23.54 O ATOM 534 CB PRO A 32 4.079 -3.910 8.301 1.00 54.21 C ATOM 535 CG PRO A 32 4.469 -3.998 6.865 1.00 64.25 C ATOM 536 CD PRO A 32 3.910 -2.761 6.198 1.00 0.52 C ATOM 0 HA PRO A 32 3.474 -2.101 9.434 1.00 54.22 H new ATOM 0 HB2 PRO A 32 4.771 -4.463 8.936 1.00 54.21 H new ATOM 0 HB3 PRO A 32 3.087 -4.328 8.471 1.00 54.21 H new ATOM 0 HG2 PRO A 32 5.553 -4.041 6.758 1.00 64.25 H new ATOM 0 HG3 PRO A 32 4.067 -4.902 6.407 1.00 64.25 H new ATOM 0 HD2 PRO A 32 4.605 -2.355 5.462 1.00 0.52 H new ATOM 0 HD3 PRO A 32 2.979 -2.976 5.673 1.00 0.52 H new ATOM 544 N LEU A 33 5.866 -0.711 8.784 1.00 33.45 N ATOM 545 CA LEU A 33 7.202 -0.182 9.091 1.00 2.12 C ATOM 546 C LEU A 33 7.263 0.448 10.498 1.00 64.23 C ATOM 547 O LEU A 33 6.239 0.864 11.052 1.00 45.24 O ATOM 548 CB LEU A 33 7.622 0.856 8.033 1.00 32.24 C ATOM 549 CG LEU A 33 7.867 0.323 6.610 1.00 21.13 C ATOM 550 CD1 LEU A 33 6.564 -0.092 5.932 1.00 33.50 C ATOM 551 CD2 LEU A 33 8.602 1.364 5.775 1.00 52.42 C ATOM 0 H LEU A 33 5.236 -0.033 8.355 1.00 33.45 H new ATOM 0 HA LEU A 33 7.896 -1.022 9.072 1.00 2.12 H new ATOM 0 HB2 LEU A 33 6.850 1.623 7.982 1.00 32.24 H new ATOM 0 HB3 LEU A 33 8.534 1.344 8.377 1.00 32.24 H new ATOM 0 HG LEU A 33 8.490 -0.568 6.690 1.00 21.13 H new ATOM 0 HD11 LEU A 33 6.778 -0.463 4.930 1.00 33.50 H new ATOM 0 HD12 LEU A 33 6.085 -0.878 6.515 1.00 33.50 H new ATOM 0 HD13 LEU A 33 5.898 0.768 5.866 1.00 33.50 H new ATOM 0 HD21 LEU A 33 8.769 0.974 4.771 1.00 52.42 H new ATOM 0 HD22 LEU A 33 8.003 2.273 5.716 1.00 52.42 H new ATOM 0 HD23 LEU A 33 9.561 1.592 6.240 1.00 52.42 H new ATOM 563 N PRO A 34 8.476 0.526 11.091 1.00 62.30 N ATOM 564 CA PRO A 34 8.680 1.127 12.427 1.00 61.44 C ATOM 565 C PRO A 34 8.445 2.654 12.456 1.00 13.44 C ATOM 566 O PRO A 34 7.508 3.133 13.096 1.00 12.13 O ATOM 567 CB PRO A 34 10.147 0.794 12.744 1.00 52.11 C ATOM 568 CG PRO A 34 10.793 0.611 11.409 1.00 52.23 C ATOM 569 CD PRO A 34 9.740 0.016 10.516 1.00 74.02 C ATOM 0 HA PRO A 34 7.968 0.736 13.154 1.00 61.44 H new ATOM 0 HB2 PRO A 34 10.622 1.597 13.307 1.00 52.11 H new ATOM 0 HB3 PRO A 34 10.226 -0.109 13.349 1.00 52.11 H new ATOM 0 HG2 PRO A 34 11.147 1.563 11.013 1.00 52.23 H new ATOM 0 HG3 PRO A 34 11.659 -0.046 11.482 1.00 52.23 H new ATOM 0 HD2 PRO A 34 9.866 0.331 9.480 1.00 74.02 H new ATOM 0 HD3 PRO A 34 9.775 -1.073 10.524 1.00 74.02 H new ATOM 577 N ALA A 35 9.305 3.413 11.773 1.00 71.14 N ATOM 578 CA ALA A 35 9.187 4.876 11.716 1.00 53.43 C ATOM 579 C ALA A 35 9.235 5.367 10.265 1.00 73.23 C ATOM 580 O ALA A 35 10.269 5.269 9.600 1.00 51.45 O ATOM 581 CB ALA A 35 10.290 5.529 12.544 1.00 32.02 C ATOM 0 H ALA A 35 10.095 3.038 11.248 1.00 71.14 H new ATOM 0 HA ALA A 35 8.224 5.162 12.138 1.00 53.43 H new ATOM 0 HB1 ALA A 35 10.190 6.613 12.493 1.00 32.02 H new ATOM 0 HB2 ALA A 35 10.206 5.206 13.582 1.00 32.02 H new ATOM 0 HB3 ALA A 35 11.263 5.235 12.150 1.00 32.02 H new ATOM 587 N HIS A 36 8.112 5.897 9.780 1.00 23.43 N ATOM 588 CA HIS A 36 7.964 6.247 8.362 1.00 15.22 C ATOM 589 C HIS A 36 6.717 7.110 8.117 1.00 35.23 C ATOM 590 O HIS A 36 6.115 7.641 9.048 1.00 71.10 O ATOM 591 CB HIS A 36 7.837 4.962 7.533 1.00 20.34 C ATOM 592 CG HIS A 36 6.567 4.209 7.820 1.00 60.43 C ATOM 593 ND1 HIS A 36 5.584 4.000 6.877 1.00 55.31 N ATOM 594 CD2 HIS A 36 6.115 3.628 8.961 1.00 35.23 C ATOM 595 CE1 HIS A 36 4.588 3.328 7.422 1.00 35.13 C ATOM 596 NE2 HIS A 36 4.884 3.090 8.682 1.00 0.25 N ATOM 0 H HIS A 36 7.288 6.095 10.348 1.00 23.43 H new ATOM 0 HA HIS A 36 8.845 6.817 8.067 1.00 15.22 H new ATOM 0 HB2 HIS A 36 7.874 5.213 6.473 1.00 20.34 H new ATOM 0 HB3 HIS A 36 8.691 4.317 7.738 1.00 20.34 H new ATOM 0 HD1 HIS A 36 5.621 4.316 5.908 1.00 55.31 H new ATOM 0 HD2 HIS A 36 6.628 3.595 9.911 1.00 35.23 H new ATOM 0 HE1 HIS A 36 3.682 3.024 6.919 1.00 35.13 H new ATOM 605 N ASP A 37 6.339 7.227 6.847 1.00 10.43 N ATOM 606 CA ASP A 37 5.075 7.851 6.455 1.00 73.32 C ATOM 607 C ASP A 37 4.346 6.934 5.450 1.00 24.02 C ATOM 608 O ASP A 37 4.933 5.971 4.946 1.00 65.41 O ATOM 609 CB ASP A 37 5.362 9.236 5.850 1.00 51.23 C ATOM 610 CG ASP A 37 4.117 10.061 5.562 1.00 41.23 C ATOM 611 OD1 ASP A 37 3.061 9.808 6.175 1.00 43.43 O ATOM 612 OD2 ASP A 37 4.205 10.990 4.731 1.00 51.00 O ATOM 0 H ASP A 37 6.897 6.893 6.061 1.00 10.43 H new ATOM 0 HA ASP A 37 4.429 7.985 7.323 1.00 73.32 H new ATOM 0 HB2 ASP A 37 6.003 9.793 6.533 1.00 51.23 H new ATOM 0 HB3 ASP A 37 5.921 9.106 4.923 1.00 51.23 H new ATOM 617 N TYR A 38 3.072 7.202 5.188 1.00 52.04 N ATOM 618 CA TYR A 38 2.291 6.409 4.230 1.00 54.10 C ATOM 619 C TYR A 38 1.260 7.281 3.505 1.00 31.14 C ATOM 620 O TYR A 38 0.746 8.248 4.066 1.00 11.45 O ATOM 621 CB TYR A 38 1.614 5.217 4.932 1.00 30.33 C ATOM 622 CG TYR A 38 0.854 5.575 6.201 1.00 64.20 C ATOM 623 CD1 TYR A 38 1.488 5.558 7.441 1.00 34.23 C ATOM 624 CD2 TYR A 38 -0.495 5.917 6.162 1.00 63.14 C ATOM 625 CE1 TYR A 38 0.802 5.876 8.598 1.00 1.31 C ATOM 626 CE2 TYR A 38 -1.184 6.234 7.318 1.00 60.53 C ATOM 627 CZ TYR A 38 -0.531 6.212 8.532 1.00 60.54 C ATOM 628 OH TYR A 38 -1.218 6.529 9.684 1.00 34.14 O ATOM 0 H TYR A 38 2.552 7.963 5.624 1.00 52.04 H new ATOM 0 HA TYR A 38 2.976 6.014 3.480 1.00 54.10 H new ATOM 0 HB2 TYR A 38 0.924 4.745 4.233 1.00 30.33 H new ATOM 0 HB3 TYR A 38 2.376 4.477 5.177 1.00 30.33 H new ATOM 0 HD1 TYR A 38 2.533 5.292 7.499 1.00 34.23 H new ATOM 0 HD2 TYR A 38 -1.011 5.935 5.214 1.00 63.14 H new ATOM 0 HE1 TYR A 38 1.310 5.861 9.551 1.00 1.31 H new ATOM 0 HE2 TYR A 38 -2.230 6.498 7.270 1.00 60.53 H new ATOM 0 HH TYR A 38 -2.148 6.743 9.462 1.00 34.14 H new ATOM 638 N PHE A 39 0.964 6.936 2.255 1.00 21.11 N ATOM 639 CA PHE A 39 0.088 7.757 1.410 1.00 54.42 C ATOM 640 C PHE A 39 -1.343 7.180 1.387 1.00 13.02 C ATOM 641 O PHE A 39 -1.752 6.495 2.325 1.00 61.31 O ATOM 642 CB PHE A 39 0.685 7.837 -0.005 1.00 64.32 C ATOM 643 CG PHE A 39 0.580 9.202 -0.646 1.00 45.54 C ATOM 644 CD1 PHE A 39 1.415 10.233 -0.238 1.00 14.43 C ATOM 645 CD2 PHE A 39 -0.340 9.451 -1.655 1.00 24.23 C ATOM 646 CE1 PHE A 39 1.332 11.483 -0.822 1.00 61.11 C ATOM 647 CE2 PHE A 39 -0.424 10.700 -2.241 1.00 4.23 C ATOM 648 CZ PHE A 39 0.412 11.717 -1.824 1.00 23.22 C ATOM 0 H PHE A 39 1.316 6.094 1.800 1.00 21.11 H new ATOM 0 HA PHE A 39 0.022 8.764 1.821 1.00 54.42 H new ATOM 0 HB2 PHE A 39 1.735 7.549 0.039 1.00 64.32 H new ATOM 0 HB3 PHE A 39 0.181 7.109 -0.641 1.00 64.32 H new ATOM 0 HD1 PHE A 39 2.138 10.056 0.545 1.00 14.43 H new ATOM 0 HD2 PHE A 39 -0.997 8.660 -1.986 1.00 24.23 H new ATOM 0 HE1 PHE A 39 1.987 12.277 -0.494 1.00 61.11 H new ATOM 0 HE2 PHE A 39 -1.144 10.881 -3.026 1.00 4.23 H new ATOM 0 HZ PHE A 39 0.346 12.693 -2.281 1.00 23.22 H new ATOM 658 N GLU A 40 -2.108 7.466 0.332 1.00 13.10 N ATOM 659 CA GLU A 40 -3.510 7.033 0.260 1.00 50.20 C ATOM 660 C GLU A 40 -3.653 5.525 -0.009 1.00 21.54 C ATOM 661 O GLU A 40 -2.878 4.933 -0.764 1.00 45.32 O ATOM 662 CB GLU A 40 -4.269 7.825 -0.816 1.00 34.20 C ATOM 663 CG GLU A 40 -3.762 7.604 -2.239 1.00 42.44 C ATOM 664 CD GLU A 40 -4.611 8.318 -3.278 1.00 2.14 C ATOM 665 OE1 GLU A 40 -5.595 7.720 -3.766 1.00 34.04 O ATOM 666 OE2 GLU A 40 -4.308 9.486 -3.603 1.00 20.54 O ATOM 0 H GLU A 40 -1.786 7.992 -0.481 1.00 13.10 H new ATOM 0 HA GLU A 40 -3.945 7.234 1.239 1.00 50.20 H new ATOM 0 HB2 GLU A 40 -5.324 7.553 -0.773 1.00 34.20 H new ATOM 0 HB3 GLU A 40 -4.204 8.887 -0.581 1.00 34.20 H new ATOM 0 HG2 GLU A 40 -2.733 7.955 -2.313 1.00 42.44 H new ATOM 0 HG3 GLU A 40 -3.751 6.536 -2.455 1.00 42.44 H new ATOM 673 N PHE A 41 -4.655 4.917 0.628 1.00 13.12 N ATOM 674 CA PHE A 41 -5.012 3.514 0.389 1.00 30.31 C ATOM 675 C PHE A 41 -6.480 3.422 -0.056 1.00 72.01 C ATOM 676 O PHE A 41 -7.376 3.939 0.618 1.00 14.11 O ATOM 677 CB PHE A 41 -4.787 2.671 1.656 1.00 15.20 C ATOM 678 CG PHE A 41 -3.355 2.648 2.131 1.00 13.25 C ATOM 679 CD1 PHE A 41 -2.444 1.745 1.595 1.00 35.43 C ATOM 680 CD2 PHE A 41 -2.915 3.535 3.105 1.00 52.43 C ATOM 681 CE1 PHE A 41 -1.129 1.730 2.021 1.00 41.13 C ATOM 682 CE2 PHE A 41 -1.601 3.519 3.534 1.00 53.22 C ATOM 683 CZ PHE A 41 -0.708 2.617 2.992 1.00 5.03 C ATOM 0 H PHE A 41 -5.241 5.380 1.322 1.00 13.12 H new ATOM 0 HA PHE A 41 -4.372 3.120 -0.400 1.00 30.31 H new ATOM 0 HB2 PHE A 41 -5.418 3.059 2.455 1.00 15.20 H new ATOM 0 HB3 PHE A 41 -5.111 1.649 1.462 1.00 15.20 H new ATOM 0 HD1 PHE A 41 -2.767 1.047 0.837 1.00 35.43 H new ATOM 0 HD2 PHE A 41 -3.607 4.245 3.532 1.00 52.43 H new ATOM 0 HE1 PHE A 41 -0.431 1.025 1.595 1.00 41.13 H new ATOM 0 HE2 PHE A 41 -1.273 4.213 4.294 1.00 53.22 H new ATOM 0 HZ PHE A 41 0.319 2.605 3.327 1.00 5.03 H new ATOM 693 N PHE A 42 -6.724 2.766 -1.189 1.00 2.11 N ATOM 694 CA PHE A 42 -8.067 2.722 -1.782 1.00 33.12 C ATOM 695 C PHE A 42 -9.053 1.894 -0.934 1.00 33.13 C ATOM 696 O PHE A 42 -8.718 0.822 -0.429 1.00 25.32 O ATOM 697 CB PHE A 42 -8.008 2.180 -3.225 1.00 1.32 C ATOM 698 CG PHE A 42 -7.594 0.726 -3.352 1.00 5.21 C ATOM 699 CD1 PHE A 42 -6.254 0.353 -3.320 1.00 31.13 C ATOM 700 CD2 PHE A 42 -8.554 -0.267 -3.512 1.00 51.23 C ATOM 701 CE1 PHE A 42 -5.886 -0.974 -3.444 1.00 52.23 C ATOM 702 CE2 PHE A 42 -8.187 -1.593 -3.637 1.00 12.25 C ATOM 703 CZ PHE A 42 -6.852 -1.948 -3.603 1.00 31.33 C ATOM 0 H PHE A 42 -6.014 2.258 -1.716 1.00 2.11 H new ATOM 0 HA PHE A 42 -8.440 3.746 -1.804 1.00 33.12 H new ATOM 0 HB2 PHE A 42 -8.990 2.303 -3.683 1.00 1.32 H new ATOM 0 HB3 PHE A 42 -7.310 2.791 -3.798 1.00 1.32 H new ATOM 0 HD1 PHE A 42 -5.492 1.109 -3.197 1.00 31.13 H new ATOM 0 HD2 PHE A 42 -9.600 0.002 -3.539 1.00 51.23 H new ATOM 0 HE1 PHE A 42 -4.842 -1.249 -3.416 1.00 52.23 H new ATOM 0 HE2 PHE A 42 -8.944 -2.353 -3.761 1.00 12.25 H new ATOM 0 HZ PHE A 42 -6.565 -2.985 -3.701 1.00 31.33 H new ATOM 713 N ALA A 43 -10.267 2.417 -0.762 1.00 11.22 N ATOM 714 CA ALA A 43 -11.328 1.707 -0.041 1.00 61.32 C ATOM 715 C ALA A 43 -12.282 1.000 -1.016 1.00 32.31 C ATOM 716 O ALA A 43 -12.977 1.648 -1.800 1.00 1.40 O ATOM 717 CB ALA A 43 -12.099 2.677 0.854 1.00 61.52 C ATOM 0 H ALA A 43 -10.543 3.334 -1.113 1.00 11.22 H new ATOM 0 HA ALA A 43 -10.863 0.945 0.585 1.00 61.32 H new ATOM 0 HB1 ALA A 43 -12.884 2.137 1.384 1.00 61.52 H new ATOM 0 HB2 ALA A 43 -11.417 3.127 1.576 1.00 61.52 H new ATOM 0 HB3 ALA A 43 -12.547 3.460 0.242 1.00 61.52 H new ATOM 723 N ALA A 44 -12.312 -0.331 -0.972 1.00 10.24 N ATOM 724 CA ALA A 44 -13.158 -1.117 -1.880 1.00 75.12 C ATOM 725 C ALA A 44 -14.040 -2.116 -1.116 1.00 74.40 C ATOM 726 O ALA A 44 -13.997 -2.192 0.114 1.00 1.34 O ATOM 727 CB ALA A 44 -12.287 -1.843 -2.901 1.00 63.44 C ATOM 0 H ALA A 44 -11.763 -0.891 -0.320 1.00 10.24 H new ATOM 0 HA ALA A 44 -13.825 -0.429 -2.400 1.00 75.12 H new ATOM 0 HB1 ALA A 44 -12.920 -2.424 -3.572 1.00 63.44 H new ATOM 0 HB2 ALA A 44 -11.719 -1.114 -3.479 1.00 63.44 H new ATOM 0 HB3 ALA A 44 -11.598 -2.510 -2.383 1.00 63.44 H new ATOM 733 N ASP A 45 -14.846 -2.873 -1.855 1.00 32.25 N ATOM 734 CA ASP A 45 -15.709 -3.900 -1.267 1.00 42.10 C ATOM 735 C ASP A 45 -15.450 -5.262 -1.934 1.00 65.54 C ATOM 736 O ASP A 45 -15.266 -5.342 -3.149 1.00 71.31 O ATOM 737 CB ASP A 45 -17.179 -3.491 -1.417 1.00 64.23 C ATOM 738 CG ASP A 45 -18.121 -4.468 -0.739 1.00 64.02 C ATOM 739 OD1 ASP A 45 -18.248 -4.420 0.500 1.00 24.41 O ATOM 740 OD2 ASP A 45 -18.728 -5.302 -1.436 1.00 13.32 O ATOM 0 H ASP A 45 -14.921 -2.796 -2.869 1.00 32.25 H new ATOM 0 HA ASP A 45 -15.480 -3.994 -0.205 1.00 42.10 H new ATOM 0 HB2 ASP A 45 -17.322 -2.497 -0.992 1.00 64.23 H new ATOM 0 HB3 ASP A 45 -17.429 -3.424 -2.476 1.00 64.23 H new ATOM 745 N LEU A 46 -15.438 -6.328 -1.134 1.00 40.54 N ATOM 746 CA LEU A 46 -15.103 -7.672 -1.632 1.00 3.14 C ATOM 747 C LEU A 46 -16.338 -8.449 -2.129 1.00 32.34 C ATOM 748 O LEU A 46 -16.253 -9.643 -2.424 1.00 40.15 O ATOM 749 CB LEU A 46 -14.353 -8.463 -0.538 1.00 23.05 C ATOM 750 CG LEU A 46 -14.949 -8.397 0.888 1.00 2.42 C ATOM 751 CD1 LEU A 46 -16.259 -9.171 0.995 1.00 23.10 C ATOM 752 CD2 LEU A 46 -13.941 -8.903 1.917 1.00 22.21 C ATOM 0 H LEU A 46 -15.656 -6.292 -0.138 1.00 40.54 H new ATOM 0 HA LEU A 46 -14.453 -7.549 -2.498 1.00 3.14 H new ATOM 0 HB2 LEU A 46 -14.309 -9.509 -0.842 1.00 23.05 H new ATOM 0 HB3 LEU A 46 -13.326 -8.099 -0.497 1.00 23.05 H new ATOM 0 HG LEU A 46 -15.171 -7.351 1.099 1.00 2.42 H new ATOM 0 HD11 LEU A 46 -16.643 -9.098 2.013 1.00 23.10 H new ATOM 0 HD12 LEU A 46 -16.988 -8.751 0.302 1.00 23.10 H new ATOM 0 HD13 LEU A 46 -16.084 -10.218 0.747 1.00 23.10 H new ATOM 0 HD21 LEU A 46 -14.380 -8.848 2.913 1.00 22.21 H new ATOM 0 HD22 LEU A 46 -13.679 -9.937 1.692 1.00 22.21 H new ATOM 0 HD23 LEU A 46 -13.043 -8.285 1.881 1.00 22.21 H new ATOM 764 N SER A 47 -17.474 -7.767 -2.249 1.00 72.20 N ATOM 765 CA SER A 47 -18.719 -8.402 -2.716 1.00 73.00 C ATOM 766 C SER A 47 -19.317 -7.634 -3.902 1.00 34.22 C ATOM 767 O SER A 47 -18.760 -6.632 -4.348 1.00 70.52 O ATOM 768 CB SER A 47 -19.754 -8.464 -1.581 1.00 52.12 C ATOM 769 OG SER A 47 -19.220 -9.065 -0.412 1.00 72.23 O ATOM 0 H SER A 47 -17.566 -6.775 -2.031 1.00 72.20 H new ATOM 0 HA SER A 47 -18.471 -9.414 -3.036 1.00 73.00 H new ATOM 0 HB2 SER A 47 -20.097 -7.456 -1.347 1.00 52.12 H new ATOM 0 HB3 SER A 47 -20.625 -9.028 -1.914 1.00 52.12 H new ATOM 0 HG SER A 47 -19.906 -9.085 0.288 1.00 72.23 H new ATOM 775 N LEU A 48 -20.449 -8.125 -4.422 1.00 13.34 N ATOM 776 CA LEU A 48 -21.200 -7.429 -5.487 1.00 41.12 C ATOM 777 C LEU A 48 -20.404 -7.351 -6.813 1.00 14.22 C ATOM 778 O LEU A 48 -20.854 -6.734 -7.780 1.00 11.14 O ATOM 779 CB LEU A 48 -21.592 -6.015 -5.002 1.00 74.12 C ATOM 780 CG LEU A 48 -22.504 -5.202 -5.940 1.00 73.13 C ATOM 781 CD1 LEU A 48 -23.836 -5.913 -6.154 1.00 10.34 C ATOM 782 CD2 LEU A 48 -22.723 -3.795 -5.387 1.00 70.32 C ATOM 0 H LEU A 48 -20.870 -9.005 -4.124 1.00 13.34 H new ATOM 0 HA LEU A 48 -22.100 -8.008 -5.696 1.00 41.12 H new ATOM 0 HB2 LEU A 48 -22.090 -6.110 -4.037 1.00 74.12 H new ATOM 0 HB3 LEU A 48 -20.678 -5.445 -4.834 1.00 74.12 H new ATOM 0 HG LEU A 48 -22.009 -5.117 -6.908 1.00 73.13 H new ATOM 0 HD11 LEU A 48 -24.462 -5.319 -6.820 1.00 10.34 H new ATOM 0 HD12 LEU A 48 -23.659 -6.892 -6.600 1.00 10.34 H new ATOM 0 HD13 LEU A 48 -24.340 -6.037 -5.196 1.00 10.34 H new ATOM 0 HD21 LEU A 48 -23.370 -3.235 -6.063 1.00 70.32 H new ATOM 0 HD22 LEU A 48 -23.192 -3.859 -4.405 1.00 70.32 H new ATOM 0 HD23 LEU A 48 -21.763 -3.286 -5.298 1.00 70.32 H new ATOM 794 N TYR A 49 -19.243 -8.014 -6.854 1.00 1.13 N ATOM 795 CA TYR A 49 -18.335 -7.983 -8.015 1.00 43.34 C ATOM 796 C TYR A 49 -17.686 -6.590 -8.179 1.00 42.32 C ATOM 797 O TYR A 49 -18.213 -5.715 -8.875 1.00 35.13 O ATOM 798 CB TYR A 49 -19.067 -8.405 -9.303 1.00 5.33 C ATOM 799 CG TYR A 49 -18.157 -8.591 -10.507 1.00 42.45 C ATOM 800 CD1 TYR A 49 -17.491 -9.796 -10.718 1.00 31.35 C ATOM 801 CD2 TYR A 49 -17.968 -7.566 -11.430 1.00 21.01 C ATOM 802 CE1 TYR A 49 -16.665 -9.972 -11.811 1.00 42.05 C ATOM 803 CE2 TYR A 49 -17.142 -7.737 -12.526 1.00 72.41 C ATOM 804 CZ TYR A 49 -16.493 -8.943 -12.713 1.00 43.21 C ATOM 805 OH TYR A 49 -15.673 -9.119 -13.805 1.00 35.12 O ATOM 0 H TYR A 49 -18.902 -8.589 -6.084 1.00 1.13 H new ATOM 0 HA TYR A 49 -17.538 -8.703 -7.831 1.00 43.34 H new ATOM 0 HB2 TYR A 49 -19.598 -9.338 -9.116 1.00 5.33 H new ATOM 0 HB3 TYR A 49 -19.819 -7.653 -9.543 1.00 5.33 H new ATOM 0 HD1 TYR A 49 -17.623 -10.606 -10.016 1.00 31.35 H new ATOM 0 HD2 TYR A 49 -18.474 -6.623 -11.288 1.00 21.01 H new ATOM 0 HE1 TYR A 49 -16.155 -10.913 -11.959 1.00 42.05 H new ATOM 0 HE2 TYR A 49 -17.005 -6.932 -13.233 1.00 72.41 H new ATOM 0 HH TYR A 49 -15.662 -8.299 -14.341 1.00 35.12 H new ATOM 815 N PRO A 50 -16.534 -6.362 -7.518 1.00 24.22 N ATOM 816 CA PRO A 50 -15.816 -5.075 -7.583 1.00 35.14 C ATOM 817 C PRO A 50 -15.167 -4.809 -8.954 1.00 61.13 C ATOM 818 O PRO A 50 -14.434 -5.643 -9.485 1.00 61.13 O ATOM 819 CB PRO A 50 -14.748 -5.216 -6.491 1.00 30.24 C ATOM 820 CG PRO A 50 -14.517 -6.684 -6.375 1.00 71.21 C ATOM 821 CD PRO A 50 -15.848 -7.333 -6.641 1.00 54.44 C ATOM 0 HA PRO A 50 -16.489 -4.230 -7.440 1.00 35.14 H new ATOM 0 HB2 PRO A 50 -13.832 -4.691 -6.763 1.00 30.24 H new ATOM 0 HB3 PRO A 50 -15.089 -4.793 -5.546 1.00 30.24 H new ATOM 0 HG2 PRO A 50 -13.768 -7.020 -7.093 1.00 71.21 H new ATOM 0 HG3 PRO A 50 -14.147 -6.944 -5.383 1.00 71.21 H new ATOM 0 HD2 PRO A 50 -15.733 -8.302 -7.127 1.00 54.44 H new ATOM 0 HD3 PRO A 50 -16.403 -7.503 -5.719 1.00 54.44 H new ATOM 829 N HIS A 51 -15.435 -3.629 -9.515 1.00 43.25 N ATOM 830 CA HIS A 51 -14.915 -3.249 -10.837 1.00 15.14 C ATOM 831 C HIS A 51 -14.408 -1.793 -10.857 1.00 73.45 C ATOM 832 O HIS A 51 -14.418 -1.139 -11.900 1.00 54.43 O ATOM 833 CB HIS A 51 -16.005 -3.448 -11.901 1.00 74.11 C ATOM 834 CG HIS A 51 -17.318 -2.811 -11.548 1.00 74.32 C ATOM 835 ND1 HIS A 51 -17.556 -1.458 -11.659 1.00 22.21 N ATOM 836 CD2 HIS A 51 -18.465 -3.349 -11.068 1.00 5.43 C ATOM 837 CE1 HIS A 51 -18.785 -1.193 -11.265 1.00 21.53 C ATOM 838 NE2 HIS A 51 -19.360 -2.320 -10.901 1.00 24.42 N ATOM 0 H HIS A 51 -16.013 -2.913 -9.074 1.00 43.25 H new ATOM 0 HA HIS A 51 -14.065 -3.893 -11.061 1.00 15.14 H new ATOM 0 HB2 HIS A 51 -15.655 -3.037 -12.848 1.00 74.11 H new ATOM 0 HB3 HIS A 51 -16.159 -4.516 -12.055 1.00 74.11 H new ATOM 0 HD2 HIS A 51 -18.643 -4.393 -10.856 1.00 5.43 H new ATOM 0 HE1 HIS A 51 -19.244 -0.215 -11.244 1.00 21.53 H new ATOM 0 HE2 HIS A 51 -20.314 -2.414 -10.552 1.00 24.42 H new ATOM 847 N LEU A 52 -13.949 -1.298 -9.708 1.00 65.32 N ATOM 848 CA LEU A 52 -13.408 0.068 -9.611 1.00 73.02 C ATOM 849 C LEU A 52 -11.865 0.055 -9.623 1.00 74.42 C ATOM 850 O LEU A 52 -11.224 -0.327 -8.645 1.00 41.02 O ATOM 851 CB LEU A 52 -13.937 0.798 -8.352 1.00 32.31 C ATOM 852 CG LEU A 52 -13.597 0.169 -6.979 1.00 61.31 C ATOM 853 CD1 LEU A 52 -13.846 1.170 -5.851 1.00 64.35 C ATOM 854 CD2 LEU A 52 -14.411 -1.103 -6.735 1.00 35.30 C ATOM 0 H LEU A 52 -13.939 -1.817 -8.830 1.00 65.32 H new ATOM 0 HA LEU A 52 -13.752 0.618 -10.487 1.00 73.02 H new ATOM 0 HB2 LEU A 52 -13.549 1.817 -8.363 1.00 32.31 H new ATOM 0 HB3 LEU A 52 -15.022 0.869 -8.433 1.00 32.31 H new ATOM 0 HG LEU A 52 -12.540 -0.096 -6.991 1.00 61.31 H new ATOM 0 HD11 LEU A 52 -13.601 0.709 -4.894 1.00 64.35 H new ATOM 0 HD12 LEU A 52 -13.220 2.050 -6.000 1.00 64.35 H new ATOM 0 HD13 LEU A 52 -14.895 1.467 -5.853 1.00 64.35 H new ATOM 0 HD21 LEU A 52 -14.150 -1.521 -5.763 1.00 35.30 H new ATOM 0 HD22 LEU A 52 -15.474 -0.864 -6.753 1.00 35.30 H new ATOM 0 HD23 LEU A 52 -14.190 -1.832 -7.515 1.00 35.30 H new ATOM 866 N TYR A 53 -11.277 0.460 -10.747 1.00 70.44 N ATOM 867 CA TYR A 53 -9.813 0.469 -10.899 1.00 2.12 C ATOM 868 C TYR A 53 -9.150 1.510 -9.977 1.00 24.13 C ATOM 869 O TYR A 53 -9.330 2.716 -10.147 1.00 41.22 O ATOM 870 CB TYR A 53 -9.429 0.716 -12.371 1.00 41.50 C ATOM 871 CG TYR A 53 -9.982 2.006 -12.966 1.00 43.43 C ATOM 872 CD1 TYR A 53 -11.318 2.100 -13.349 1.00 32.32 C ATOM 873 CD2 TYR A 53 -9.171 3.125 -13.150 1.00 61.22 C ATOM 874 CE1 TYR A 53 -11.825 3.263 -13.895 1.00 23.24 C ATOM 875 CE2 TYR A 53 -9.674 4.292 -13.695 1.00 31.21 C ATOM 876 CZ TYR A 53 -11.001 4.355 -14.064 1.00 71.42 C ATOM 877 OH TYR A 53 -11.506 5.516 -14.613 1.00 23.13 O ATOM 0 H TYR A 53 -11.786 0.787 -11.568 1.00 70.44 H new ATOM 0 HA TYR A 53 -9.441 -0.511 -10.600 1.00 2.12 H new ATOM 0 HB2 TYR A 53 -8.342 0.732 -12.451 1.00 41.50 H new ATOM 0 HB3 TYR A 53 -9.780 -0.124 -12.970 1.00 41.50 H new ATOM 0 HD1 TYR A 53 -11.969 1.248 -13.217 1.00 32.32 H new ATOM 0 HD2 TYR A 53 -8.131 3.080 -12.862 1.00 61.22 H new ATOM 0 HE1 TYR A 53 -12.863 3.317 -14.188 1.00 23.24 H new ATOM 0 HE2 TYR A 53 -9.031 5.149 -13.831 1.00 31.21 H new ATOM 0 HH TYR A 53 -10.796 6.190 -14.662 1.00 23.13 H new ATOM 887 N SER A 54 -8.391 1.034 -8.990 1.00 72.31 N ATOM 888 CA SER A 54 -7.695 1.918 -8.039 1.00 44.13 C ATOM 889 C SER A 54 -6.481 1.228 -7.403 1.00 32.25 C ATOM 890 O SER A 54 -6.453 0.008 -7.251 1.00 22.13 O ATOM 891 CB SER A 54 -8.653 2.391 -6.931 1.00 53.40 C ATOM 892 OG SER A 54 -9.581 3.358 -7.410 1.00 22.34 O ATOM 0 H SER A 54 -8.239 0.039 -8.823 1.00 72.31 H new ATOM 0 HA SER A 54 -7.343 2.780 -8.606 1.00 44.13 H new ATOM 0 HB2 SER A 54 -9.195 1.535 -6.530 1.00 53.40 H new ATOM 0 HB3 SER A 54 -8.076 2.817 -6.110 1.00 53.40 H new ATOM 0 HG SER A 54 -9.548 3.386 -8.389 1.00 22.34 H new ATOM 898 N ARG A 55 -5.477 2.022 -7.033 1.00 43.51 N ATOM 899 CA ARG A 55 -4.265 1.507 -6.378 1.00 63.13 C ATOM 900 C ARG A 55 -3.934 2.312 -5.106 1.00 23.14 C ATOM 901 O ARG A 55 -4.690 3.200 -4.706 1.00 60.42 O ATOM 902 CB ARG A 55 -3.077 1.554 -7.353 1.00 12.25 C ATOM 903 CG ARG A 55 -2.748 2.961 -7.847 1.00 33.11 C ATOM 904 CD ARG A 55 -1.626 2.963 -8.883 1.00 54.25 C ATOM 905 NE ARG A 55 -1.297 4.320 -9.308 1.00 53.42 N ATOM 906 CZ ARG A 55 -0.548 4.621 -10.333 1.00 63.30 C ATOM 907 NH1 ARG A 55 -0.038 3.700 -11.086 1.00 13.24 N ATOM 908 NH2 ARG A 55 -0.310 5.862 -10.597 1.00 51.32 N ATOM 0 H ARG A 55 -5.475 3.032 -7.175 1.00 43.51 H new ATOM 0 HA ARG A 55 -4.452 0.473 -6.087 1.00 63.13 H new ATOM 0 HB2 ARG A 55 -2.198 1.135 -6.863 1.00 12.25 H new ATOM 0 HB3 ARG A 55 -3.296 0.919 -8.211 1.00 12.25 H new ATOM 0 HG2 ARG A 55 -3.641 3.410 -8.281 1.00 33.11 H new ATOM 0 HG3 ARG A 55 -2.459 3.583 -7.000 1.00 33.11 H new ATOM 0 HD2 ARG A 55 -0.740 2.487 -8.463 1.00 54.25 H new ATOM 0 HD3 ARG A 55 -1.926 2.372 -9.748 1.00 54.25 H new ATOM 0 HE ARG A 55 -1.682 5.091 -8.762 1.00 53.42 H new ATOM 0 HH11 ARG A 55 -0.219 2.717 -10.883 1.00 13.24 H new ATOM 0 HH12 ARG A 55 0.545 3.957 -11.883 1.00 13.24 H new ATOM 0 HH21 ARG A 55 -0.706 6.594 -10.007 1.00 51.32 H new ATOM 0 HH22 ARG A 55 0.274 6.111 -11.395 1.00 51.32 H new ATOM 922 N ALA A 56 -2.805 1.997 -4.474 1.00 71.05 N ATOM 923 CA ALA A 56 -2.378 2.696 -3.254 1.00 74.34 C ATOM 924 C ALA A 56 -0.925 3.185 -3.363 1.00 45.31 C ATOM 925 O ALA A 56 -0.154 2.694 -4.193 1.00 23.23 O ATOM 926 CB ALA A 56 -2.547 1.786 -2.040 1.00 40.12 C ATOM 0 H ALA A 56 -2.167 1.264 -4.783 1.00 71.05 H new ATOM 0 HA ALA A 56 -3.012 3.574 -3.131 1.00 74.34 H new ATOM 0 HB1 ALA A 56 -2.227 2.314 -1.142 1.00 40.12 H new ATOM 0 HB2 ALA A 56 -3.595 1.503 -1.941 1.00 40.12 H new ATOM 0 HB3 ALA A 56 -1.940 0.890 -2.169 1.00 40.12 H new ATOM 932 N TYR A 57 -0.555 4.151 -2.522 1.00 42.34 N ATOM 933 CA TYR A 57 0.799 4.729 -2.545 1.00 54.23 C ATOM 934 C TYR A 57 1.453 4.688 -1.151 1.00 13.33 C ATOM 935 O TYR A 57 0.769 4.714 -0.126 1.00 42.34 O ATOM 936 CB TYR A 57 0.748 6.180 -3.045 1.00 3.33 C ATOM 937 CG TYR A 57 0.191 6.343 -4.450 1.00 1.03 C ATOM 938 CD1 TYR A 57 -1.170 6.529 -4.661 1.00 73.04 C ATOM 939 CD2 TYR A 57 1.030 6.326 -5.557 1.00 43.34 C ATOM 940 CE1 TYR A 57 -1.678 6.695 -5.935 1.00 13.45 C ATOM 941 CE2 TYR A 57 0.530 6.488 -6.836 1.00 30.23 C ATOM 942 CZ TYR A 57 -0.826 6.672 -7.019 1.00 64.11 C ATOM 943 OH TYR A 57 -1.334 6.845 -8.290 1.00 50.41 O ATOM 0 H TYR A 57 -1.170 4.553 -1.815 1.00 42.34 H new ATOM 0 HA TYR A 57 1.403 4.128 -3.225 1.00 54.23 H new ATOM 0 HB2 TYR A 57 0.140 6.767 -2.356 1.00 3.33 H new ATOM 0 HB3 TYR A 57 1.755 6.597 -3.016 1.00 3.33 H new ATOM 0 HD1 TYR A 57 -1.841 6.544 -3.815 1.00 73.04 H new ATOM 0 HD2 TYR A 57 2.091 6.184 -5.416 1.00 43.34 H new ATOM 0 HE1 TYR A 57 -2.738 6.842 -6.081 1.00 13.45 H new ATOM 0 HE2 TYR A 57 1.196 6.471 -7.686 1.00 30.23 H new ATOM 0 HH TYR A 57 -1.188 7.771 -8.577 1.00 50.41 H new ATOM 953 N ILE A 58 2.782 4.637 -1.120 1.00 53.42 N ATOM 954 CA ILE A 58 3.538 4.619 0.140 1.00 12.43 C ATOM 955 C ILE A 58 4.718 5.604 0.082 1.00 20.22 C ATOM 956 O ILE A 58 5.577 5.504 -0.794 1.00 43.22 O ATOM 957 CB ILE A 58 4.086 3.202 0.453 1.00 32.33 C ATOM 958 CG1 ILE A 58 2.973 2.147 0.320 1.00 40.34 C ATOM 959 CG2 ILE A 58 4.695 3.165 1.858 1.00 50.30 C ATOM 960 CD1 ILE A 58 3.458 0.719 0.459 1.00 33.54 C ATOM 0 H ILE A 58 3.365 4.607 -1.956 1.00 53.42 H new ATOM 0 HA ILE A 58 2.848 4.916 0.930 1.00 12.43 H new ATOM 0 HB ILE A 58 4.867 2.967 -0.271 1.00 32.33 H new ATOM 0 HG12 ILE A 58 2.214 2.337 1.078 1.00 40.34 H new ATOM 0 HG13 ILE A 58 2.490 2.263 -0.650 1.00 40.34 H new ATOM 0 HG21 ILE A 58 5.075 2.164 2.063 1.00 50.30 H new ATOM 0 HG22 ILE A 58 5.512 3.884 1.919 1.00 50.30 H new ATOM 0 HG23 ILE A 58 3.931 3.421 2.592 1.00 50.30 H new ATOM 0 HD11 ILE A 58 2.615 0.036 0.353 1.00 33.54 H new ATOM 0 HD12 ILE A 58 4.195 0.508 -0.316 1.00 33.54 H new ATOM 0 HD13 ILE A 58 3.914 0.583 1.440 1.00 33.54 H new ATOM 972 N ASN A 59 4.762 6.552 1.015 1.00 2.14 N ATOM 973 CA ASN A 59 5.825 7.568 1.024 1.00 51.05 C ATOM 974 C ASN A 59 6.861 7.293 2.128 1.00 50.53 C ATOM 975 O ASN A 59 6.641 7.620 3.297 1.00 12.13 O ATOM 976 CB ASN A 59 5.220 8.964 1.214 1.00 12.54 C ATOM 977 CG ASN A 59 6.243 10.070 1.009 1.00 11.34 C ATOM 978 OD1 ASN A 59 6.360 10.639 -0.070 1.00 64.22 O ATOM 979 ND2 ASN A 59 7.007 10.369 2.036 1.00 32.22 N ATOM 0 H ASN A 59 4.083 6.643 1.771 1.00 2.14 H new ATOM 0 HA ASN A 59 6.336 7.521 0.063 1.00 51.05 H new ATOM 0 HB2 ASN A 59 4.397 9.099 0.512 1.00 12.54 H new ATOM 0 HB3 ASN A 59 4.800 9.042 2.217 1.00 12.54 H new ATOM 0 HD21 ASN A 59 7.721 11.092 1.947 1.00 32.22 H new ATOM 0 HD22 ASN A 59 6.886 9.878 2.922 1.00 32.22 H new ATOM 986 N PHE A 60 7.989 6.692 1.755 1.00 20.32 N ATOM 987 CA PHE A 60 9.066 6.400 2.713 1.00 64.55 C ATOM 988 C PHE A 60 9.799 7.680 3.156 1.00 52.23 C ATOM 989 O PHE A 60 9.696 8.726 2.515 1.00 35.51 O ATOM 990 CB PHE A 60 10.065 5.408 2.102 1.00 42.33 C ATOM 991 CG PHE A 60 9.524 4.005 1.948 1.00 21.51 C ATOM 992 CD1 PHE A 60 8.515 3.731 1.039 1.00 3.21 C ATOM 993 CD2 PHE A 60 10.030 2.962 2.709 1.00 1.43 C ATOM 994 CE1 PHE A 60 8.023 2.448 0.891 1.00 15.42 C ATOM 995 CE2 PHE A 60 9.543 1.678 2.564 1.00 31.40 C ATOM 996 CZ PHE A 60 8.538 1.420 1.654 1.00 45.14 C ATOM 0 H PHE A 60 8.186 6.396 0.799 1.00 20.32 H new ATOM 0 HA PHE A 60 8.608 5.955 3.597 1.00 64.55 H new ATOM 0 HB2 PHE A 60 10.374 5.776 1.124 1.00 42.33 H new ATOM 0 HB3 PHE A 60 10.957 5.375 2.727 1.00 42.33 H new ATOM 0 HD1 PHE A 60 8.108 4.531 0.438 1.00 3.21 H new ATOM 0 HD2 PHE A 60 10.815 3.156 3.424 1.00 1.43 H new ATOM 0 HE1 PHE A 60 7.236 2.250 0.179 1.00 15.42 H new ATOM 0 HE2 PHE A 60 9.949 0.876 3.163 1.00 31.40 H new ATOM 0 HZ PHE A 60 8.156 0.416 1.539 1.00 45.14 H new ATOM 1006 N ARG A 61 10.543 7.588 4.260 1.00 64.35 N ATOM 1007 CA ARG A 61 11.278 8.745 4.806 1.00 4.22 C ATOM 1008 C ARG A 61 12.752 8.401 5.091 1.00 5.31 C ATOM 1009 O ARG A 61 13.452 9.141 5.790 1.00 60.03 O ATOM 1010 CB ARG A 61 10.599 9.240 6.095 1.00 41.52 C ATOM 1011 CG ARG A 61 9.171 9.750 5.898 1.00 63.34 C ATOM 1012 CD ARG A 61 9.113 10.955 4.958 1.00 62.30 C ATOM 1013 NE ARG A 61 7.742 11.432 4.756 1.00 72.15 N ATOM 1014 CZ ARG A 61 7.422 12.492 4.058 1.00 3.41 C ATOM 1015 NH1 ARG A 61 8.332 13.215 3.487 1.00 54.41 N ATOM 1016 NH2 ARG A 61 6.179 12.810 3.911 1.00 4.12 N ATOM 0 H ARG A 61 10.656 6.728 4.797 1.00 64.35 H new ATOM 0 HA ARG A 61 11.258 9.534 4.055 1.00 4.22 H new ATOM 0 HB2 ARG A 61 10.585 8.426 6.820 1.00 41.52 H new ATOM 0 HB3 ARG A 61 11.202 10.040 6.525 1.00 41.52 H new ATOM 0 HG2 ARG A 61 8.553 8.948 5.496 1.00 63.34 H new ATOM 0 HG3 ARG A 61 8.748 10.024 6.865 1.00 63.34 H new ATOM 0 HD2 ARG A 61 9.721 11.762 5.367 1.00 62.30 H new ATOM 0 HD3 ARG A 61 9.548 10.685 3.996 1.00 62.30 H new ATOM 0 HE ARG A 61 6.986 10.902 5.189 1.00 72.15 H new ATOM 0 HH11 ARG A 61 9.316 12.962 3.578 1.00 54.41 H new ATOM 0 HH12 ARG A 61 8.065 14.038 2.947 1.00 54.41 H new ATOM 0 HH21 ARG A 61 5.452 12.236 4.338 1.00 4.12 H new ATOM 0 HH22 ARG A 61 5.924 13.635 3.368 1.00 4.12 H new ATOM 1030 N ASN A 62 13.218 7.287 4.536 1.00 42.12 N ATOM 1031 CA ASN A 62 14.585 6.810 4.759 1.00 11.22 C ATOM 1032 C ASN A 62 15.061 5.996 3.532 1.00 63.22 C ATOM 1033 O ASN A 62 14.274 5.284 2.928 1.00 74.34 O ATOM 1034 CB ASN A 62 14.598 5.941 6.031 1.00 50.30 C ATOM 1035 CG ASN A 62 15.988 5.638 6.557 1.00 41.32 C ATOM 1036 OD1 ASN A 62 16.895 6.450 6.461 1.00 62.31 O ATOM 1037 ND2 ASN A 62 16.164 4.466 7.131 1.00 31.23 N ATOM 0 H ASN A 62 12.665 6.690 3.922 1.00 42.12 H new ATOM 0 HA ASN A 62 15.265 7.652 4.891 1.00 11.22 H new ATOM 0 HB2 ASN A 62 14.028 6.447 6.810 1.00 50.30 H new ATOM 0 HB3 ASN A 62 14.087 5.001 5.822 1.00 50.30 H new ATOM 0 HD21 ASN A 62 17.077 4.216 7.510 1.00 31.23 H new ATOM 0 HD22 ASN A 62 15.387 3.808 7.196 1.00 31.23 H new ATOM 1044 N PRO A 63 16.335 6.113 3.103 1.00 4.00 N ATOM 1045 CA PRO A 63 16.852 5.297 1.987 1.00 35.11 C ATOM 1046 C PRO A 63 17.192 3.846 2.393 1.00 33.24 C ATOM 1047 O PRO A 63 17.589 3.035 1.551 1.00 60.03 O ATOM 1048 CB PRO A 63 18.116 6.057 1.567 1.00 32.35 C ATOM 1049 CG PRO A 63 18.588 6.721 2.819 1.00 65.32 C ATOM 1050 CD PRO A 63 17.348 7.061 3.610 1.00 25.23 C ATOM 0 HA PRO A 63 16.113 5.181 1.194 1.00 35.11 H new ATOM 0 HB2 PRO A 63 18.872 5.380 1.168 1.00 32.35 H new ATOM 0 HB3 PRO A 63 17.899 6.788 0.788 1.00 32.35 H new ATOM 0 HG2 PRO A 63 19.243 6.060 3.387 1.00 65.32 H new ATOM 0 HG3 PRO A 63 19.162 7.619 2.591 1.00 65.32 H new ATOM 0 HD2 PRO A 63 17.510 6.938 4.681 1.00 25.23 H new ATOM 0 HD3 PRO A 63 17.043 8.095 3.451 1.00 25.23 H new ATOM 1058 N ASP A 64 17.029 3.524 3.679 1.00 15.34 N ATOM 1059 CA ASP A 64 17.380 2.193 4.204 1.00 31.24 C ATOM 1060 C ASP A 64 16.151 1.297 4.463 1.00 21.51 C ATOM 1061 O ASP A 64 16.217 0.081 4.263 1.00 22.44 O ATOM 1062 CB ASP A 64 18.205 2.338 5.485 1.00 51.13 C ATOM 1063 CG ASP A 64 19.583 2.910 5.208 1.00 63.33 C ATOM 1064 OD1 ASP A 64 19.739 4.149 5.212 1.00 44.20 O ATOM 1065 OD2 ASP A 64 20.521 2.117 4.976 1.00 52.34 O ATOM 0 H ASP A 64 16.656 4.164 4.380 1.00 15.34 H new ATOM 0 HA ASP A 64 17.969 1.697 3.433 1.00 31.24 H new ATOM 0 HB2 ASP A 64 17.677 2.985 6.186 1.00 51.13 H new ATOM 0 HB3 ASP A 64 18.306 1.364 5.964 1.00 51.13 H new ATOM 1070 N ASP A 65 15.034 1.876 4.911 1.00 4.03 N ATOM 1071 CA ASP A 65 13.820 1.084 5.159 1.00 62.11 C ATOM 1072 C ASP A 65 13.157 0.686 3.830 1.00 1.52 C ATOM 1073 O ASP A 65 12.507 -0.356 3.732 1.00 64.44 O ATOM 1074 CB ASP A 65 12.835 1.840 6.069 1.00 11.34 C ATOM 1075 CG ASP A 65 12.313 3.136 5.467 1.00 30.13 C ATOM 1076 OD1 ASP A 65 12.994 3.701 4.594 1.00 32.31 O ATOM 1077 OD2 ASP A 65 11.229 3.599 5.887 1.00 51.12 O ATOM 0 H ASP A 65 14.942 2.873 5.108 1.00 4.03 H new ATOM 0 HA ASP A 65 14.110 0.173 5.681 1.00 62.11 H new ATOM 0 HB2 ASP A 65 11.990 1.189 6.294 1.00 11.34 H new ATOM 0 HB3 ASP A 65 13.327 2.063 7.016 1.00 11.34 H new ATOM 1082 N ILE A 66 13.341 1.532 2.810 1.00 1.35 N ATOM 1083 CA ILE A 66 12.928 1.217 1.436 1.00 74.11 C ATOM 1084 C ILE A 66 13.439 -0.166 0.997 1.00 43.13 C ATOM 1085 O ILE A 66 12.654 -1.083 0.757 1.00 4.23 O ATOM 1086 CB ILE A 66 13.451 2.281 0.431 1.00 61.30 C ATOM 1087 CG1 ILE A 66 12.889 3.668 0.764 1.00 53.51 C ATOM 1088 CG2 ILE A 66 13.093 1.890 -1.001 1.00 34.22 C ATOM 1089 CD1 ILE A 66 13.383 4.768 -0.154 1.00 71.24 C ATOM 0 H ILE A 66 13.777 2.448 2.911 1.00 1.35 H new ATOM 0 HA ILE A 66 11.838 1.217 1.432 1.00 74.11 H new ATOM 0 HB ILE A 66 14.537 2.323 0.517 1.00 61.30 H new ATOM 0 HG12 ILE A 66 11.801 3.629 0.716 1.00 53.51 H new ATOM 0 HG13 ILE A 66 13.154 3.919 1.791 1.00 53.51 H new ATOM 0 HG21 ILE A 66 13.468 2.647 -1.689 1.00 34.22 H new ATOM 0 HG22 ILE A 66 13.545 0.927 -1.239 1.00 34.22 H new ATOM 0 HG23 ILE A 66 12.010 1.816 -1.098 1.00 34.22 H new ATOM 0 HD11 ILE A 66 12.941 5.718 0.146 1.00 71.24 H new ATOM 0 HD12 ILE A 66 14.469 4.836 -0.088 1.00 71.24 H new ATOM 0 HD13 ILE A 66 13.095 4.542 -1.181 1.00 71.24 H new ATOM 1101 N LEU A 67 14.764 -0.313 0.906 1.00 41.52 N ATOM 1102 CA LEU A 67 15.371 -1.574 0.460 1.00 3.10 C ATOM 1103 C LEU A 67 15.104 -2.714 1.456 1.00 5.31 C ATOM 1104 O LEU A 67 14.971 -3.874 1.062 1.00 3.44 O ATOM 1105 CB LEU A 67 16.883 -1.385 0.204 1.00 63.35 C ATOM 1106 CG LEU A 67 17.716 -0.799 1.369 1.00 4.22 C ATOM 1107 CD1 LEU A 67 18.087 -1.872 2.396 1.00 62.54 C ATOM 1108 CD2 LEU A 67 18.971 -0.102 0.841 1.00 33.11 C ATOM 0 H LEU A 67 15.435 0.420 1.134 1.00 41.52 H new ATOM 0 HA LEU A 67 14.902 -1.860 -0.481 1.00 3.10 H new ATOM 0 HB2 LEU A 67 17.307 -2.353 -0.064 1.00 63.35 H new ATOM 0 HB3 LEU A 67 17.003 -0.734 -0.662 1.00 63.35 H new ATOM 0 HG LEU A 67 17.095 -0.060 1.875 1.00 4.22 H new ATOM 0 HD11 LEU A 67 18.671 -1.421 3.198 1.00 62.54 H new ATOM 0 HD12 LEU A 67 17.178 -2.309 2.810 1.00 62.54 H new ATOM 0 HD13 LEU A 67 18.676 -2.651 1.912 1.00 62.54 H new ATOM 0 HD21 LEU A 67 19.542 0.302 1.677 1.00 33.11 H new ATOM 0 HD22 LEU A 67 19.584 -0.820 0.297 1.00 33.11 H new ATOM 0 HD23 LEU A 67 18.683 0.709 0.172 1.00 33.11 H new ATOM 1120 N LEU A 68 15.007 -2.374 2.741 1.00 71.41 N ATOM 1121 CA LEU A 68 14.687 -3.355 3.785 1.00 31.11 C ATOM 1122 C LEU A 68 13.337 -4.035 3.519 1.00 60.23 C ATOM 1123 O LEU A 68 13.262 -5.252 3.329 1.00 32.13 O ATOM 1124 CB LEU A 68 14.665 -2.671 5.161 1.00 60.31 C ATOM 1125 CG LEU A 68 14.080 -3.507 6.315 1.00 35.30 C ATOM 1126 CD1 LEU A 68 14.866 -4.804 6.500 1.00 54.34 C ATOM 1127 CD2 LEU A 68 14.058 -2.698 7.612 1.00 23.22 C ATOM 0 H LEU A 68 15.145 -1.425 3.088 1.00 71.41 H new ATOM 0 HA LEU A 68 15.461 -4.123 3.773 1.00 31.11 H new ATOM 0 HB2 LEU A 68 15.685 -2.389 5.422 1.00 60.31 H new ATOM 0 HB3 LEU A 68 14.091 -1.748 5.078 1.00 60.31 H new ATOM 0 HG LEU A 68 13.053 -3.767 6.058 1.00 35.30 H new ATOM 0 HD11 LEU A 68 14.434 -5.377 7.320 1.00 54.34 H new ATOM 0 HD12 LEU A 68 14.820 -5.391 5.583 1.00 54.34 H new ATOM 0 HD13 LEU A 68 15.906 -4.570 6.729 1.00 54.34 H new ATOM 0 HD21 LEU A 68 13.641 -3.307 8.414 1.00 23.22 H new ATOM 0 HD22 LEU A 68 15.074 -2.401 7.873 1.00 23.22 H new ATOM 0 HD23 LEU A 68 13.443 -1.808 7.475 1.00 23.22 H new ATOM 1139 N PHE A 69 12.273 -3.242 3.499 1.00 43.52 N ATOM 1140 CA PHE A 69 10.923 -3.770 3.311 1.00 2.11 C ATOM 1141 C PHE A 69 10.668 -4.223 1.867 1.00 24.25 C ATOM 1142 O PHE A 69 9.920 -5.173 1.639 1.00 11.13 O ATOM 1143 CB PHE A 69 9.888 -2.737 3.771 1.00 10.52 C ATOM 1144 CG PHE A 69 9.624 -2.806 5.253 1.00 53.34 C ATOM 1145 CD1 PHE A 69 10.472 -2.186 6.163 1.00 35.42 C ATOM 1146 CD2 PHE A 69 8.533 -3.511 5.737 1.00 31.12 C ATOM 1147 CE1 PHE A 69 10.232 -2.272 7.522 1.00 3.40 C ATOM 1148 CE2 PHE A 69 8.289 -3.597 7.091 1.00 64.14 C ATOM 1149 CZ PHE A 69 9.139 -2.979 7.986 1.00 64.02 C ATOM 0 H PHE A 69 12.317 -2.229 3.611 1.00 43.52 H new ATOM 0 HA PHE A 69 10.824 -4.663 3.929 1.00 2.11 H new ATOM 0 HB2 PHE A 69 10.238 -1.737 3.514 1.00 10.52 H new ATOM 0 HB3 PHE A 69 8.955 -2.897 3.231 1.00 10.52 H new ATOM 0 HD1 PHE A 69 11.327 -1.632 5.805 1.00 35.42 H new ATOM 0 HD2 PHE A 69 7.865 -4.000 5.044 1.00 31.12 H new ATOM 0 HE1 PHE A 69 10.898 -1.787 8.220 1.00 3.40 H new ATOM 0 HE2 PHE A 69 7.433 -4.148 7.452 1.00 64.14 H new ATOM 0 HZ PHE A 69 8.950 -3.048 9.047 1.00 64.02 H new ATOM 1159 N ARG A 70 11.301 -3.568 0.896 1.00 15.25 N ATOM 1160 CA ARG A 70 11.208 -4.006 -0.504 1.00 64.15 C ATOM 1161 C ARG A 70 11.629 -5.479 -0.643 1.00 32.21 C ATOM 1162 O ARG A 70 10.976 -6.260 -1.330 1.00 70.01 O ATOM 1163 CB ARG A 70 12.079 -3.103 -1.408 1.00 24.13 C ATOM 1164 CG ARG A 70 12.109 -3.503 -2.893 1.00 43.02 C ATOM 1165 CD ARG A 70 13.201 -4.532 -3.202 1.00 64.40 C ATOM 1166 NE ARG A 70 13.071 -5.094 -4.545 1.00 43.22 N ATOM 1167 CZ ARG A 70 13.370 -6.327 -4.857 1.00 2.03 C ATOM 1168 NH1 ARG A 70 13.904 -7.121 -3.983 1.00 61.43 N ATOM 1169 NH2 ARG A 70 13.156 -6.757 -6.054 1.00 4.24 N ATOM 0 H ARG A 70 11.879 -2.741 1.045 1.00 15.25 H new ATOM 0 HA ARG A 70 10.170 -3.919 -0.824 1.00 64.15 H new ATOM 0 HB2 ARG A 70 11.715 -2.078 -1.331 1.00 24.13 H new ATOM 0 HB3 ARG A 70 13.100 -3.108 -1.025 1.00 24.13 H new ATOM 0 HG2 ARG A 70 11.139 -3.912 -3.175 1.00 43.02 H new ATOM 0 HG3 ARG A 70 12.270 -2.614 -3.502 1.00 43.02 H new ATOM 0 HD2 ARG A 70 14.179 -4.062 -3.101 1.00 64.40 H new ATOM 0 HD3 ARG A 70 13.157 -5.337 -2.468 1.00 64.40 H new ATOM 0 HE ARG A 70 12.725 -4.485 -5.286 1.00 43.22 H new ATOM 0 HH11 ARG A 70 14.096 -6.785 -3.039 1.00 61.43 H new ATOM 0 HH12 ARG A 70 14.133 -8.081 -4.239 1.00 61.43 H new ATOM 0 HH21 ARG A 70 12.754 -6.135 -6.755 1.00 4.24 H new ATOM 0 HH22 ARG A 70 13.389 -7.719 -6.299 1.00 4.24 H new ATOM 1183 N ASP A 71 12.712 -5.851 0.039 1.00 40.41 N ATOM 1184 CA ASP A 71 13.263 -7.211 -0.042 1.00 32.13 C ATOM 1185 C ASP A 71 12.266 -8.276 0.468 1.00 12.21 C ATOM 1186 O ASP A 71 12.365 -9.451 0.115 1.00 33.23 O ATOM 1187 CB ASP A 71 14.575 -7.280 0.750 1.00 33.05 C ATOM 1188 CG ASP A 71 15.312 -8.591 0.542 1.00 53.12 C ATOM 1189 OD1 ASP A 71 15.758 -8.848 -0.596 1.00 64.24 O ATOM 1190 OD2 ASP A 71 15.444 -9.373 1.507 1.00 64.54 O ATOM 0 H ASP A 71 13.230 -5.228 0.658 1.00 40.41 H new ATOM 0 HA ASP A 71 13.455 -7.434 -1.092 1.00 32.13 H new ATOM 0 HB2 ASP A 71 15.220 -6.453 0.451 1.00 33.05 H new ATOM 0 HB3 ASP A 71 14.362 -7.151 1.811 1.00 33.05 H new ATOM 1195 N ARG A 72 11.307 -7.858 1.298 1.00 34.13 N ATOM 1196 CA ARG A 72 10.286 -8.777 1.842 1.00 11.03 C ATOM 1197 C ARG A 72 8.874 -8.455 1.317 1.00 73.23 C ATOM 1198 O ARG A 72 7.884 -9.027 1.779 1.00 4.31 O ATOM 1199 CB ARG A 72 10.294 -8.729 3.377 1.00 13.23 C ATOM 1200 CG ARG A 72 10.157 -7.322 3.959 1.00 25.13 C ATOM 1201 CD ARG A 72 9.812 -7.348 5.444 1.00 22.22 C ATOM 1202 NE ARG A 72 8.496 -7.941 5.680 1.00 70.43 N ATOM 1203 CZ ARG A 72 7.739 -7.693 6.716 1.00 34.32 C ATOM 1204 NH1 ARG A 72 8.140 -6.906 7.667 1.00 34.14 N ATOM 1205 NH2 ARG A 72 6.573 -8.243 6.797 1.00 53.34 N ATOM 0 H ARG A 72 11.210 -6.892 1.612 1.00 34.13 H new ATOM 0 HA ARG A 72 10.543 -9.781 1.504 1.00 11.03 H new ATOM 0 HB2 ARG A 72 9.479 -9.347 3.753 1.00 13.23 H new ATOM 0 HB3 ARG A 72 11.222 -9.171 3.739 1.00 13.23 H new ATOM 0 HG2 ARG A 72 11.090 -6.777 3.813 1.00 25.13 H new ATOM 0 HG3 ARG A 72 9.383 -6.779 3.417 1.00 25.13 H new ATOM 0 HD2 ARG A 72 10.570 -7.915 5.984 1.00 22.22 H new ATOM 0 HD3 ARG A 72 9.831 -6.333 5.840 1.00 22.22 H new ATOM 0 HE ARG A 72 8.143 -8.597 4.984 1.00 70.43 H new ATOM 0 HH11 ARG A 72 9.060 -6.469 7.613 1.00 34.14 H new ATOM 0 HH12 ARG A 72 7.535 -6.724 8.468 1.00 34.14 H new ATOM 0 HH21 ARG A 72 6.250 -8.865 6.056 1.00 53.34 H new ATOM 0 HH22 ARG A 72 5.975 -8.055 7.602 1.00 53.34 H new ATOM 1219 N PHE A 73 8.790 -7.543 0.351 1.00 65.31 N ATOM 1220 CA PHE A 73 7.501 -7.140 -0.237 1.00 45.24 C ATOM 1221 C PHE A 73 7.595 -6.930 -1.757 1.00 15.23 C ATOM 1222 O PHE A 73 6.694 -6.365 -2.377 1.00 12.54 O ATOM 1223 CB PHE A 73 7.000 -5.852 0.418 1.00 44.05 C ATOM 1224 CG PHE A 73 6.346 -6.054 1.766 1.00 22.33 C ATOM 1225 CD1 PHE A 73 5.117 -6.691 1.858 1.00 2.25 C ATOM 1226 CD2 PHE A 73 6.948 -5.604 2.937 1.00 54.42 C ATOM 1227 CE1 PHE A 73 4.503 -6.878 3.082 1.00 44.33 C ATOM 1228 CE2 PHE A 73 6.334 -5.792 4.163 1.00 3.11 C ATOM 1229 CZ PHE A 73 5.113 -6.429 4.234 1.00 70.01 C ATOM 0 H PHE A 73 9.598 -7.064 -0.047 1.00 65.31 H new ATOM 0 HA PHE A 73 6.799 -7.953 -0.051 1.00 45.24 H new ATOM 0 HB2 PHE A 73 7.840 -5.166 0.533 1.00 44.05 H new ATOM 0 HB3 PHE A 73 6.286 -5.372 -0.251 1.00 44.05 H new ATOM 0 HD1 PHE A 73 4.633 -7.046 0.960 1.00 2.25 H new ATOM 0 HD2 PHE A 73 7.904 -5.103 2.889 1.00 54.42 H new ATOM 0 HE1 PHE A 73 3.546 -7.376 3.136 1.00 44.33 H new ATOM 0 HE2 PHE A 73 6.812 -5.439 5.065 1.00 3.11 H new ATOM 0 HZ PHE A 73 4.635 -6.576 5.191 1.00 70.01 H new ATOM 1239 N ASP A 74 8.678 -7.407 -2.345 1.00 35.42 N ATOM 1240 CA ASP A 74 8.947 -7.245 -3.784 1.00 4.14 C ATOM 1241 C ASP A 74 7.882 -7.911 -4.679 1.00 22.20 C ATOM 1242 O ASP A 74 7.899 -7.750 -5.902 1.00 42.31 O ATOM 1243 CB ASP A 74 10.334 -7.810 -4.109 1.00 14.02 C ATOM 1244 CG ASP A 74 10.468 -9.283 -3.756 1.00 34.05 C ATOM 1245 OD1 ASP A 74 10.540 -9.609 -2.551 1.00 74.15 O ATOM 1246 OD2 ASP A 74 10.504 -10.126 -4.678 1.00 24.33 O ATOM 0 H ASP A 74 9.405 -7.921 -1.846 1.00 35.42 H new ATOM 0 HA ASP A 74 8.910 -6.177 -4.001 1.00 4.14 H new ATOM 0 HB2 ASP A 74 10.536 -7.676 -5.172 1.00 14.02 H new ATOM 0 HB3 ASP A 74 11.089 -7.241 -3.567 1.00 14.02 H new ATOM 1251 N GLY A 75 6.963 -8.653 -4.070 1.00 23.30 N ATOM 1252 CA GLY A 75 5.910 -9.323 -4.825 1.00 44.32 C ATOM 1253 C GLY A 75 5.422 -10.592 -4.146 1.00 74.50 C ATOM 1254 O GLY A 75 5.913 -11.685 -4.434 1.00 35.32 O ATOM 0 H GLY A 75 6.926 -8.805 -3.062 1.00 23.30 H new ATOM 0 HA2 GLY A 75 5.071 -8.640 -4.956 1.00 44.32 H new ATOM 0 HA3 GLY A 75 6.281 -9.567 -5.820 1.00 44.32 H new ATOM 1258 N TYR A 76 4.453 -10.453 -3.242 1.00 70.01 N ATOM 1259 CA TYR A 76 3.951 -11.599 -2.468 1.00 23.31 C ATOM 1260 C TYR A 76 2.430 -11.778 -2.623 1.00 62.11 C ATOM 1261 O TYR A 76 1.712 -10.826 -2.920 1.00 53.11 O ATOM 1262 CB TYR A 76 4.305 -11.427 -0.980 1.00 70.03 C ATOM 1263 CG TYR A 76 3.399 -10.465 -0.226 1.00 21.22 C ATOM 1264 CD1 TYR A 76 3.421 -9.099 -0.486 1.00 14.22 C ATOM 1265 CD2 TYR A 76 2.522 -10.931 0.750 1.00 23.30 C ATOM 1266 CE1 TYR A 76 2.594 -8.230 0.201 1.00 52.43 C ATOM 1267 CE2 TYR A 76 1.695 -10.067 1.437 1.00 53.40 C ATOM 1268 CZ TYR A 76 1.735 -8.719 1.160 1.00 72.51 C ATOM 1269 OH TYR A 76 0.912 -7.856 1.847 1.00 42.45 O ATOM 0 H TYR A 76 3.999 -9.566 -3.025 1.00 70.01 H new ATOM 0 HA TYR A 76 4.433 -12.494 -2.861 1.00 23.31 H new ATOM 0 HB2 TYR A 76 4.264 -12.402 -0.494 1.00 70.03 H new ATOM 0 HB3 TYR A 76 5.334 -11.075 -0.902 1.00 70.03 H new ATOM 0 HD1 TYR A 76 4.094 -8.711 -1.236 1.00 14.22 H new ATOM 0 HD2 TYR A 76 2.489 -11.987 0.973 1.00 23.30 H new ATOM 0 HE1 TYR A 76 2.621 -7.172 -0.013 1.00 52.43 H new ATOM 0 HE2 TYR A 76 1.019 -10.446 2.189 1.00 53.40 H new ATOM 0 HH TYR A 76 -0.017 -7.999 1.569 1.00 42.45 H new ATOM 1279 N ILE A 77 1.950 -13.004 -2.408 1.00 15.50 N ATOM 1280 CA ILE A 77 0.513 -13.307 -2.464 1.00 22.54 C ATOM 1281 C ILE A 77 -0.149 -13.150 -1.085 1.00 3.33 C ATOM 1282 O ILE A 77 0.137 -13.909 -0.156 1.00 3.34 O ATOM 1283 CB ILE A 77 0.263 -14.752 -2.981 1.00 20.31 C ATOM 1284 CG1 ILE A 77 0.789 -14.916 -4.418 1.00 22.24 C ATOM 1285 CG2 ILE A 77 -1.224 -15.111 -2.907 1.00 64.11 C ATOM 1286 CD1 ILE A 77 0.052 -14.079 -5.445 1.00 23.50 C ATOM 0 H ILE A 77 2.537 -13.810 -2.192 1.00 15.50 H new ATOM 0 HA ILE A 77 0.068 -12.593 -3.157 1.00 22.54 H new ATOM 0 HB ILE A 77 0.810 -15.439 -2.335 1.00 20.31 H new ATOM 0 HG12 ILE A 77 1.846 -14.651 -4.439 1.00 22.24 H new ATOM 0 HG13 ILE A 77 0.718 -15.966 -4.702 1.00 22.24 H new ATOM 0 HG21 ILE A 77 -1.372 -16.127 -3.274 1.00 64.11 H new ATOM 0 HG22 ILE A 77 -1.563 -15.046 -1.873 1.00 64.11 H new ATOM 0 HG23 ILE A 77 -1.797 -14.416 -3.521 1.00 64.11 H new ATOM 0 HD11 ILE A 77 0.483 -14.251 -6.431 1.00 23.50 H new ATOM 0 HD12 ILE A 77 -1.001 -14.359 -5.455 1.00 23.50 H new ATOM 0 HD13 ILE A 77 0.144 -13.024 -5.188 1.00 23.50 H new ATOM 1298 N PHE A 78 -1.015 -12.148 -0.950 1.00 5.32 N ATOM 1299 CA PHE A 78 -1.810 -11.962 0.272 1.00 23.04 C ATOM 1300 C PHE A 78 -3.216 -12.562 0.102 1.00 51.44 C ATOM 1301 O PHE A 78 -3.841 -12.397 -0.941 1.00 43.45 O ATOM 1302 CB PHE A 78 -1.911 -10.468 0.618 1.00 21.10 C ATOM 1303 CG PHE A 78 -2.761 -10.178 1.836 1.00 4.41 C ATOM 1304 CD1 PHE A 78 -2.291 -10.450 3.116 1.00 2.34 C ATOM 1305 CD2 PHE A 78 -4.035 -9.637 1.700 1.00 14.22 C ATOM 1306 CE1 PHE A 78 -3.073 -10.190 4.227 1.00 22.54 C ATOM 1307 CE2 PHE A 78 -4.819 -9.376 2.809 1.00 14.34 C ATOM 1308 CZ PHE A 78 -4.337 -9.653 4.073 1.00 11.13 C ATOM 0 H PHE A 78 -1.188 -11.448 -1.672 1.00 5.32 H new ATOM 0 HA PHE A 78 -1.310 -12.481 1.089 1.00 23.04 H new ATOM 0 HB2 PHE A 78 -0.908 -10.075 0.785 1.00 21.10 H new ATOM 0 HB3 PHE A 78 -2.325 -9.934 -0.237 1.00 21.10 H new ATOM 0 HD1 PHE A 78 -1.304 -10.869 3.244 1.00 2.34 H new ATOM 0 HD2 PHE A 78 -4.418 -9.418 0.714 1.00 14.22 H new ATOM 0 HE1 PHE A 78 -2.695 -10.407 5.215 1.00 22.54 H new ATOM 0 HE2 PHE A 78 -5.807 -8.956 2.687 1.00 14.34 H new ATOM 0 HZ PHE A 78 -4.947 -9.450 4.941 1.00 11.13 H new ATOM 1318 N LEU A 79 -3.702 -13.265 1.123 1.00 22.35 N ATOM 1319 CA LEU A 79 -5.036 -13.881 1.076 1.00 11.21 C ATOM 1320 C LEU A 79 -6.017 -13.217 2.053 1.00 51.24 C ATOM 1321 O LEU A 79 -5.801 -13.209 3.267 1.00 23.34 O ATOM 1322 CB LEU A 79 -4.934 -15.382 1.373 1.00 24.41 C ATOM 1323 CG LEU A 79 -4.322 -16.230 0.248 1.00 3.51 C ATOM 1324 CD1 LEU A 79 -4.057 -17.652 0.730 1.00 74.30 C ATOM 1325 CD2 LEU A 79 -5.234 -16.236 -0.977 1.00 10.25 C ATOM 0 H LEU A 79 -3.196 -13.425 1.994 1.00 22.35 H new ATOM 0 HA LEU A 79 -5.427 -13.732 0.070 1.00 11.21 H new ATOM 0 HB2 LEU A 79 -4.337 -15.518 2.275 1.00 24.41 H new ATOM 0 HB3 LEU A 79 -5.932 -15.762 1.591 1.00 24.41 H new ATOM 0 HG LEU A 79 -3.369 -15.784 -0.038 1.00 3.51 H new ATOM 0 HD11 LEU A 79 -3.624 -18.236 -0.082 1.00 74.30 H new ATOM 0 HD12 LEU A 79 -3.363 -17.628 1.570 1.00 74.30 H new ATOM 0 HD13 LEU A 79 -4.994 -18.110 1.046 1.00 74.30 H new ATOM 0 HD21 LEU A 79 -4.783 -16.842 -1.763 1.00 10.25 H new ATOM 0 HD22 LEU A 79 -6.203 -16.655 -0.707 1.00 10.25 H new ATOM 0 HD23 LEU A 79 -5.367 -15.216 -1.337 1.00 10.25 H new ATOM 1337 N ASP A 80 -7.097 -12.667 1.504 1.00 41.31 N ATOM 1338 CA ASP A 80 -8.177 -12.085 2.307 1.00 25.14 C ATOM 1339 C ASP A 80 -9.077 -13.186 2.909 1.00 23.54 C ATOM 1340 O ASP A 80 -8.943 -14.365 2.575 1.00 52.11 O ATOM 1341 CB ASP A 80 -9.001 -11.120 1.435 1.00 72.21 C ATOM 1342 CG ASP A 80 -10.232 -10.591 2.148 1.00 51.12 C ATOM 1343 OD1 ASP A 80 -10.076 -9.778 3.084 1.00 65.04 O ATOM 1344 OD2 ASP A 80 -11.349 -11.024 1.807 1.00 72.01 O ATOM 0 H ASP A 80 -7.251 -12.611 0.497 1.00 41.31 H new ATOM 0 HA ASP A 80 -7.740 -11.531 3.137 1.00 25.14 H new ATOM 0 HB2 ASP A 80 -8.372 -10.282 1.134 1.00 72.21 H new ATOM 0 HB3 ASP A 80 -9.307 -11.632 0.523 1.00 72.21 H new ATOM 1349 N SER A 81 -9.985 -12.796 3.804 1.00 22.42 N ATOM 1350 CA SER A 81 -10.944 -13.727 4.419 1.00 13.14 C ATOM 1351 C SER A 81 -11.779 -14.482 3.371 1.00 12.44 C ATOM 1352 O SER A 81 -12.198 -15.615 3.599 1.00 23.32 O ATOM 1353 CB SER A 81 -11.880 -12.974 5.378 1.00 4.22 C ATOM 1354 OG SER A 81 -11.151 -12.322 6.408 1.00 70.12 O ATOM 0 H SER A 81 -10.080 -11.832 4.125 1.00 22.42 H new ATOM 0 HA SER A 81 -10.361 -14.463 4.973 1.00 13.14 H new ATOM 0 HB2 SER A 81 -12.461 -12.239 4.820 1.00 4.22 H new ATOM 0 HB3 SER A 81 -12.590 -13.673 5.819 1.00 4.22 H new ATOM 0 HG SER A 81 -11.773 -11.851 7.001 1.00 70.12 H new ATOM 1360 N LYS A 82 -12.022 -13.852 2.224 1.00 32.50 N ATOM 1361 CA LYS A 82 -12.772 -14.494 1.130 1.00 62.24 C ATOM 1362 C LYS A 82 -11.850 -15.318 0.211 1.00 50.44 C ATOM 1363 O LYS A 82 -12.271 -15.775 -0.851 1.00 52.52 O ATOM 1364 CB LYS A 82 -13.522 -13.439 0.304 1.00 33.20 C ATOM 1365 CG LYS A 82 -14.501 -12.595 1.117 1.00 52.53 C ATOM 1366 CD LYS A 82 -15.564 -13.449 1.804 1.00 65.34 C ATOM 1367 CE LYS A 82 -16.560 -12.590 2.575 1.00 24.31 C ATOM 1368 NZ LYS A 82 -17.577 -13.407 3.289 1.00 25.54 N ATOM 0 H LYS A 82 -11.715 -12.901 2.022 1.00 32.50 H new ATOM 0 HA LYS A 82 -13.490 -15.176 1.585 1.00 62.24 H new ATOM 0 HB2 LYS A 82 -12.795 -12.779 -0.169 1.00 33.20 H new ATOM 0 HB3 LYS A 82 -14.067 -13.939 -0.496 1.00 33.20 H new ATOM 0 HG2 LYS A 82 -13.952 -12.027 1.868 1.00 52.53 H new ATOM 0 HG3 LYS A 82 -14.986 -11.871 0.462 1.00 52.53 H new ATOM 0 HD2 LYS A 82 -16.094 -14.041 1.058 1.00 65.34 H new ATOM 0 HD3 LYS A 82 -15.083 -14.151 2.486 1.00 65.34 H new ATOM 0 HE2 LYS A 82 -16.023 -11.973 3.295 1.00 24.31 H new ATOM 0 HE3 LYS A 82 -17.062 -11.912 1.885 1.00 24.31 H new ATOM 0 HZ1 LYS A 82 -18.231 -12.779 3.798 1.00 25.54 H new ATOM 0 HZ2 LYS A 82 -18.109 -13.977 2.601 1.00 25.54 H new ATOM 0 HZ3 LYS A 82 -17.103 -14.036 3.967 1.00 25.54 H new ATOM 1382 N GLY A 83 -10.596 -15.500 0.626 1.00 52.40 N ATOM 1383 CA GLY A 83 -9.640 -16.290 -0.150 1.00 72.25 C ATOM 1384 C GLY A 83 -9.127 -15.579 -1.401 1.00 34.30 C ATOM 1385 O GLY A 83 -8.658 -16.223 -2.342 1.00 51.51 O ATOM 0 H GLY A 83 -10.220 -15.113 1.491 1.00 52.40 H new ATOM 0 HA2 GLY A 83 -8.792 -16.545 0.486 1.00 72.25 H new ATOM 0 HA3 GLY A 83 -10.111 -17.228 -0.444 1.00 72.25 H new ATOM 1389 N LEU A 84 -9.210 -14.252 -1.412 1.00 55.10 N ATOM 1390 CA LEU A 84 -8.764 -13.458 -2.561 1.00 3.13 C ATOM 1391 C LEU A 84 -7.237 -13.278 -2.559 1.00 41.44 C ATOM 1392 O LEU A 84 -6.661 -12.836 -1.564 1.00 42.24 O ATOM 1393 CB LEU A 84 -9.457 -12.088 -2.552 1.00 64.24 C ATOM 1394 CG LEU A 84 -10.995 -12.127 -2.483 1.00 1.31 C ATOM 1395 CD1 LEU A 84 -11.574 -10.715 -2.449 1.00 23.31 C ATOM 1396 CD2 LEU A 84 -11.572 -12.923 -3.655 1.00 3.14 C ATOM 0 H LEU A 84 -9.582 -13.700 -0.639 1.00 55.10 H new ATOM 0 HA LEU A 84 -9.037 -13.995 -3.469 1.00 3.13 H new ATOM 0 HB2 LEU A 84 -9.086 -11.518 -1.700 1.00 64.24 H new ATOM 0 HB3 LEU A 84 -9.164 -11.545 -3.451 1.00 64.24 H new ATOM 0 HG LEU A 84 -11.279 -12.631 -1.559 1.00 1.31 H new ATOM 0 HD11 LEU A 84 -12.662 -10.769 -2.400 1.00 23.31 H new ATOM 0 HD12 LEU A 84 -11.197 -10.188 -1.572 1.00 23.31 H new ATOM 0 HD13 LEU A 84 -11.277 -10.178 -3.350 1.00 23.31 H new ATOM 0 HD21 LEU A 84 -12.660 -12.937 -3.585 1.00 3.14 H new ATOM 0 HD22 LEU A 84 -11.275 -12.456 -4.594 1.00 3.14 H new ATOM 0 HD23 LEU A 84 -11.193 -13.945 -3.622 1.00 3.14 H new ATOM 1408 N GLU A 85 -6.592 -13.632 -3.673 1.00 43.31 N ATOM 1409 CA GLU A 85 -5.137 -13.489 -3.816 1.00 44.02 C ATOM 1410 C GLU A 85 -4.740 -12.065 -4.240 1.00 24.21 C ATOM 1411 O GLU A 85 -5.223 -11.547 -5.251 1.00 4.53 O ATOM 1412 CB GLU A 85 -4.603 -14.483 -4.857 1.00 25.53 C ATOM 1413 CG GLU A 85 -4.892 -15.946 -4.545 1.00 0.44 C ATOM 1414 CD GLU A 85 -4.380 -16.878 -5.630 1.00 45.13 C ATOM 1415 OE1 GLU A 85 -5.113 -17.108 -6.616 1.00 13.42 O ATOM 1416 OE2 GLU A 85 -3.238 -17.369 -5.515 1.00 35.34 O ATOM 0 H GLU A 85 -7.055 -14.022 -4.494 1.00 43.31 H new ATOM 0 HA GLU A 85 -4.699 -13.695 -2.840 1.00 44.02 H new ATOM 0 HB2 GLU A 85 -5.036 -14.240 -5.827 1.00 25.53 H new ATOM 0 HB3 GLU A 85 -3.525 -14.351 -4.947 1.00 25.53 H new ATOM 0 HG2 GLU A 85 -4.430 -16.211 -3.594 1.00 0.44 H new ATOM 0 HG3 GLU A 85 -5.967 -16.085 -4.427 1.00 0.44 H new ATOM 1423 N TYR A 86 -3.848 -11.446 -3.473 1.00 71.51 N ATOM 1424 CA TYR A 86 -3.309 -10.121 -3.804 1.00 64.52 C ATOM 1425 C TYR A 86 -1.786 -10.193 -4.022 1.00 1.42 C ATOM 1426 O TYR A 86 -1.015 -10.178 -3.061 1.00 54.11 O ATOM 1427 CB TYR A 86 -3.625 -9.118 -2.681 1.00 34.14 C ATOM 1428 CG TYR A 86 -5.108 -8.941 -2.409 1.00 11.42 C ATOM 1429 CD1 TYR A 86 -5.769 -9.746 -1.491 1.00 71.30 C ATOM 1430 CD2 TYR A 86 -5.847 -7.970 -3.076 1.00 45.20 C ATOM 1431 CE1 TYR A 86 -7.119 -9.587 -1.242 1.00 41.15 C ATOM 1432 CE2 TYR A 86 -7.197 -7.806 -2.832 1.00 32.43 C ATOM 1433 CZ TYR A 86 -7.828 -8.618 -1.917 1.00 4.33 C ATOM 1434 OH TYR A 86 -9.174 -8.454 -1.671 1.00 35.31 O ATOM 0 H TYR A 86 -3.477 -11.841 -2.609 1.00 71.51 H new ATOM 0 HA TYR A 86 -3.781 -9.784 -4.727 1.00 64.52 H new ATOM 0 HB2 TYR A 86 -3.135 -9.448 -1.765 1.00 34.14 H new ATOM 0 HB3 TYR A 86 -3.196 -8.150 -2.941 1.00 34.14 H new ATOM 0 HD1 TYR A 86 -5.218 -10.510 -0.962 1.00 71.30 H new ATOM 0 HD2 TYR A 86 -5.357 -7.333 -3.797 1.00 45.20 H new ATOM 0 HE1 TYR A 86 -7.616 -10.220 -0.521 1.00 41.15 H new ATOM 0 HE2 TYR A 86 -7.755 -7.044 -3.357 1.00 32.43 H new ATOM 0 HH TYR A 86 -9.370 -8.707 -0.745 1.00 35.31 H new ATOM 1444 N PRO A 87 -1.331 -10.307 -5.288 1.00 75.14 N ATOM 1445 CA PRO A 87 0.109 -10.349 -5.618 1.00 64.43 C ATOM 1446 C PRO A 87 0.782 -8.970 -5.502 1.00 74.13 C ATOM 1447 O PRO A 87 1.219 -8.388 -6.495 1.00 14.24 O ATOM 1448 CB PRO A 87 0.113 -10.844 -7.071 1.00 31.54 C ATOM 1449 CG PRO A 87 -1.186 -10.367 -7.633 1.00 4.44 C ATOM 1450 CD PRO A 87 -2.177 -10.404 -6.497 1.00 33.11 C ATOM 0 HA PRO A 87 0.673 -10.984 -4.935 1.00 64.43 H new ATOM 0 HB2 PRO A 87 0.959 -10.438 -7.626 1.00 31.54 H new ATOM 0 HB3 PRO A 87 0.192 -11.930 -7.120 1.00 31.54 H new ATOM 0 HG2 PRO A 87 -1.090 -9.357 -8.032 1.00 4.44 H new ATOM 0 HG3 PRO A 87 -1.512 -11.005 -8.454 1.00 4.44 H new ATOM 0 HD2 PRO A 87 -2.885 -9.578 -6.557 1.00 33.11 H new ATOM 0 HD3 PRO A 87 -2.760 -11.325 -6.505 1.00 33.11 H new ATOM 1458 N ALA A 88 0.889 -8.469 -4.274 1.00 10.11 N ATOM 1459 CA ALA A 88 1.348 -7.096 -4.030 1.00 54.05 C ATOM 1460 C ALA A 88 2.840 -6.914 -4.349 1.00 60.11 C ATOM 1461 O ALA A 88 3.705 -7.476 -3.673 1.00 34.45 O ATOM 1462 CB ALA A 88 1.056 -6.702 -2.586 1.00 70.51 C ATOM 0 H ALA A 88 0.664 -8.992 -3.427 1.00 10.11 H new ATOM 0 HA ALA A 88 0.799 -6.439 -4.704 1.00 54.05 H new ATOM 0 HB1 ALA A 88 1.399 -5.682 -2.411 1.00 70.51 H new ATOM 0 HB2 ALA A 88 -0.017 -6.761 -2.403 1.00 70.51 H new ATOM 0 HB3 ALA A 88 1.577 -7.381 -1.911 1.00 70.51 H new ATOM 1468 N VAL A 89 3.129 -6.136 -5.393 1.00 25.12 N ATOM 1469 CA VAL A 89 4.508 -5.819 -5.784 1.00 41.54 C ATOM 1470 C VAL A 89 4.838 -4.348 -5.494 1.00 54.43 C ATOM 1471 O VAL A 89 4.245 -3.442 -6.083 1.00 44.12 O ATOM 1472 CB VAL A 89 4.741 -6.102 -7.291 1.00 73.11 C ATOM 1473 CG1 VAL A 89 6.164 -5.722 -7.708 1.00 32.22 C ATOM 1474 CG2 VAL A 89 4.456 -7.568 -7.611 1.00 74.14 C ATOM 0 H VAL A 89 2.420 -5.709 -5.990 1.00 25.12 H new ATOM 0 HA VAL A 89 5.164 -6.459 -5.194 1.00 41.54 H new ATOM 0 HB VAL A 89 4.049 -5.484 -7.863 1.00 73.11 H new ATOM 0 HG11 VAL A 89 6.300 -5.931 -8.769 1.00 32.22 H new ATOM 0 HG12 VAL A 89 6.326 -4.660 -7.523 1.00 32.22 H new ATOM 0 HG13 VAL A 89 6.881 -6.304 -7.129 1.00 32.22 H new ATOM 0 HG21 VAL A 89 4.625 -7.748 -8.673 1.00 74.14 H new ATOM 0 HG22 VAL A 89 5.120 -8.204 -7.025 1.00 74.14 H new ATOM 0 HG23 VAL A 89 3.420 -7.800 -7.364 1.00 74.14 H new ATOM 1484 N VAL A 90 5.772 -4.113 -4.578 1.00 30.30 N ATOM 1485 CA VAL A 90 6.180 -2.751 -4.220 1.00 70.15 C ATOM 1486 C VAL A 90 7.428 -2.313 -5.016 1.00 4.01 C ATOM 1487 O VAL A 90 8.365 -3.095 -5.200 1.00 53.45 O ATOM 1488 CB VAL A 90 6.455 -2.644 -2.691 1.00 74.40 C ATOM 1489 CG1 VAL A 90 7.729 -3.389 -2.292 1.00 64.22 C ATOM 1490 CG2 VAL A 90 6.510 -1.189 -2.242 1.00 33.01 C ATOM 0 H VAL A 90 6.264 -4.846 -4.067 1.00 30.30 H new ATOM 0 HA VAL A 90 5.359 -2.082 -4.478 1.00 70.15 H new ATOM 0 HB VAL A 90 5.621 -3.124 -2.178 1.00 74.40 H new ATOM 0 HG11 VAL A 90 7.887 -3.291 -1.218 1.00 64.22 H new ATOM 0 HG12 VAL A 90 7.630 -4.444 -2.549 1.00 64.22 H new ATOM 0 HG13 VAL A 90 8.580 -2.964 -2.824 1.00 64.22 H new ATOM 0 HG21 VAL A 90 6.703 -1.146 -1.170 1.00 33.01 H new ATOM 0 HG22 VAL A 90 7.308 -0.673 -2.776 1.00 33.01 H new ATOM 0 HG23 VAL A 90 5.558 -0.705 -2.459 1.00 33.01 H new ATOM 1500 N GLU A 91 7.430 -1.071 -5.512 1.00 52.21 N ATOM 1501 CA GLU A 91 8.596 -0.535 -6.231 1.00 73.40 C ATOM 1502 C GLU A 91 8.608 1.000 -6.267 1.00 72.35 C ATOM 1503 O GLU A 91 7.620 1.657 -5.939 1.00 0.12 O ATOM 1504 CB GLU A 91 8.683 -1.114 -7.647 1.00 63.20 C ATOM 1505 CG GLU A 91 7.462 -0.861 -8.519 1.00 43.54 C ATOM 1506 CD GLU A 91 7.555 -1.596 -9.847 1.00 51.10 C ATOM 1507 OE1 GLU A 91 8.345 -1.170 -10.716 1.00 34.35 O ATOM 1508 OE2 GLU A 91 6.861 -2.617 -10.023 1.00 12.10 O ATOM 0 H GLU A 91 6.647 -0.422 -5.431 1.00 52.21 H new ATOM 0 HA GLU A 91 9.479 -0.847 -5.674 1.00 73.40 H new ATOM 0 HB2 GLU A 91 9.558 -0.694 -8.142 1.00 63.20 H new ATOM 0 HB3 GLU A 91 8.843 -2.190 -7.575 1.00 63.20 H new ATOM 0 HG2 GLU A 91 6.564 -1.180 -7.989 1.00 43.54 H new ATOM 0 HG3 GLU A 91 7.361 0.209 -8.702 1.00 43.54 H new ATOM 1515 N PHE A 92 9.735 1.562 -6.699 1.00 62.31 N ATOM 1516 CA PHE A 92 10.033 2.986 -6.493 1.00 41.22 C ATOM 1517 C PHE A 92 9.489 3.886 -7.616 1.00 13.03 C ATOM 1518 O PHE A 92 9.358 3.470 -8.772 1.00 73.33 O ATOM 1519 CB PHE A 92 11.556 3.171 -6.366 1.00 55.20 C ATOM 1520 CG PHE A 92 12.254 1.994 -5.720 1.00 32.32 C ATOM 1521 CD1 PHE A 92 11.871 1.543 -4.464 1.00 52.04 C ATOM 1522 CD2 PHE A 92 13.281 1.328 -6.377 1.00 50.13 C ATOM 1523 CE1 PHE A 92 12.496 0.455 -3.883 1.00 43.20 C ATOM 1524 CE2 PHE A 92 13.911 0.244 -5.796 1.00 62.24 C ATOM 1525 CZ PHE A 92 13.517 -0.195 -4.548 1.00 55.21 C ATOM 0 H PHE A 92 10.464 1.052 -7.198 1.00 62.31 H new ATOM 0 HA PHE A 92 9.529 3.293 -5.577 1.00 41.22 H new ATOM 0 HB2 PHE A 92 11.978 3.335 -7.357 1.00 55.20 H new ATOM 0 HB3 PHE A 92 11.758 4.069 -5.782 1.00 55.20 H new ATOM 0 HD1 PHE A 92 11.076 2.048 -3.935 1.00 52.04 H new ATOM 0 HD2 PHE A 92 13.591 1.662 -7.356 1.00 50.13 H new ATOM 0 HE1 PHE A 92 12.185 0.113 -2.907 1.00 43.20 H new ATOM 0 HE2 PHE A 92 14.711 -0.259 -6.318 1.00 62.24 H new ATOM 0 HZ PHE A 92 14.006 -1.044 -4.093 1.00 55.21 H new ATOM 1535 N ALA A 93 9.181 5.131 -7.257 1.00 50.11 N ATOM 1536 CA ALA A 93 8.745 6.154 -8.215 1.00 50.35 C ATOM 1537 C ALA A 93 9.880 7.163 -8.493 1.00 31.43 C ATOM 1538 O ALA A 93 10.842 7.249 -7.721 1.00 2.13 O ATOM 1539 CB ALA A 93 7.507 6.868 -7.672 1.00 14.53 C ATOM 0 H ALA A 93 9.226 5.463 -6.293 1.00 50.11 H new ATOM 0 HA ALA A 93 8.491 5.671 -9.159 1.00 50.35 H new ATOM 0 HB1 ALA A 93 7.184 7.628 -8.384 1.00 14.53 H new ATOM 0 HB2 ALA A 93 6.705 6.144 -7.524 1.00 14.53 H new ATOM 0 HB3 ALA A 93 7.748 7.342 -6.720 1.00 14.53 H new ATOM 1545 N PRO A 94 9.796 7.935 -9.601 1.00 54.12 N ATOM 1546 CA PRO A 94 10.837 8.922 -9.961 1.00 30.23 C ATOM 1547 C PRO A 94 11.009 10.044 -8.919 1.00 42.22 C ATOM 1548 O PRO A 94 10.045 10.702 -8.524 1.00 64.35 O ATOM 1549 CB PRO A 94 10.339 9.497 -11.300 1.00 32.11 C ATOM 1550 CG PRO A 94 8.875 9.219 -11.315 1.00 42.44 C ATOM 1551 CD PRO A 94 8.702 7.912 -10.593 1.00 23.04 C ATOM 0 HA PRO A 94 11.821 8.456 -10.015 1.00 30.23 H new ATOM 0 HB2 PRO A 94 10.539 10.566 -11.370 1.00 32.11 H new ATOM 0 HB3 PRO A 94 10.840 9.023 -12.144 1.00 32.11 H new ATOM 0 HG2 PRO A 94 8.320 10.016 -10.820 1.00 42.44 H new ATOM 0 HG3 PRO A 94 8.499 9.155 -12.336 1.00 42.44 H new ATOM 0 HD2 PRO A 94 7.725 7.841 -10.115 1.00 23.04 H new ATOM 0 HD3 PRO A 94 8.788 7.062 -11.270 1.00 23.04 H new ATOM 1559 N PHE A 95 12.251 10.259 -8.482 1.00 53.41 N ATOM 1560 CA PHE A 95 12.565 11.320 -7.515 1.00 11.44 C ATOM 1561 C PHE A 95 12.720 12.690 -8.203 1.00 55.14 C ATOM 1562 O PHE A 95 12.613 13.737 -7.560 1.00 14.33 O ATOM 1563 CB PHE A 95 13.850 10.966 -6.747 1.00 60.32 C ATOM 1564 CG PHE A 95 14.284 12.026 -5.762 1.00 14.32 C ATOM 1565 CD1 PHE A 95 13.619 12.181 -4.554 1.00 4.43 C ATOM 1566 CD2 PHE A 95 15.352 12.869 -6.046 1.00 4.52 C ATOM 1567 CE1 PHE A 95 14.010 13.151 -3.652 1.00 1.33 C ATOM 1568 CE2 PHE A 95 15.744 13.841 -5.145 1.00 35.32 C ATOM 1569 CZ PHE A 95 15.072 13.981 -3.947 1.00 23.33 C ATOM 0 H PHE A 95 13.059 9.713 -8.781 1.00 53.41 H new ATOM 0 HA PHE A 95 11.731 11.393 -6.816 1.00 11.44 H new ATOM 0 HB2 PHE A 95 13.696 10.028 -6.213 1.00 60.32 H new ATOM 0 HB3 PHE A 95 14.655 10.797 -7.462 1.00 60.32 H new ATOM 0 HD1 PHE A 95 12.786 11.536 -4.316 1.00 4.43 H new ATOM 0 HD2 PHE A 95 15.882 12.763 -6.981 1.00 4.52 H new ATOM 0 HE1 PHE A 95 13.484 13.260 -2.715 1.00 1.33 H new ATOM 0 HE2 PHE A 95 16.575 14.490 -5.378 1.00 35.32 H new ATOM 0 HZ PHE A 95 15.377 14.740 -3.241 1.00 23.33 H new ATOM 1579 N GLN A 96 12.980 12.678 -9.510 1.00 74.25 N ATOM 1580 CA GLN A 96 13.211 13.916 -10.270 1.00 44.14 C ATOM 1581 C GLN A 96 11.961 14.382 -11.031 1.00 72.51 C ATOM 1582 O GLN A 96 10.992 13.639 -11.181 1.00 13.41 O ATOM 1583 CB GLN A 96 14.386 13.716 -11.238 1.00 30.14 C ATOM 1584 CG GLN A 96 15.734 13.641 -10.529 1.00 40.20 C ATOM 1585 CD GLN A 96 16.130 14.973 -9.916 1.00 54.03 C ATOM 1586 OE1 GLN A 96 16.852 15.755 -10.519 1.00 64.33 O ATOM 1587 NE2 GLN A 96 15.625 15.267 -8.734 1.00 70.45 N ATOM 0 H GLN A 96 13.037 11.827 -10.069 1.00 74.25 H new ATOM 0 HA GLN A 96 13.453 14.702 -9.554 1.00 44.14 H new ATOM 0 HB2 GLN A 96 14.229 12.800 -11.807 1.00 30.14 H new ATOM 0 HB3 GLN A 96 14.403 14.537 -11.955 1.00 30.14 H new ATOM 0 HG2 GLN A 96 15.691 12.881 -9.749 1.00 40.20 H new ATOM 0 HG3 GLN A 96 16.500 13.327 -11.238 1.00 40.20 H new ATOM 0 HE21 GLN A 96 15.026 14.595 -8.254 1.00 70.45 H new ATOM 0 HE22 GLN A 96 15.834 16.166 -8.300 1.00 70.45 H new ATOM 1596 N LYS A 97 12.006 15.629 -11.503 1.00 11.22 N ATOM 1597 CA LYS A 97 10.880 16.249 -12.214 1.00 33.02 C ATOM 1598 C LYS A 97 10.765 15.754 -13.677 1.00 21.04 C ATOM 1599 O LYS A 97 9.920 14.864 -13.949 1.00 38.22 O ATOM 1600 CB LYS A 97 11.045 17.779 -12.172 1.00 71.21 C ATOM 1601 CG LYS A 97 10.715 18.406 -10.819 1.00 51.04 C ATOM 1602 CD LYS A 97 9.224 18.323 -10.500 1.00 40.42 C ATOM 1603 CE LYS A 97 8.388 19.130 -11.491 1.00 1.23 C ATOM 1604 NZ LYS A 97 6.934 18.995 -11.228 1.00 40.41 N ATOM 1605 OXT LYS A 97 11.508 16.266 -14.547 1.00 38.22 O ATOM 0 H LYS A 97 12.819 16.238 -11.405 1.00 11.22 H new ATOM 0 HA LYS A 97 9.957 15.958 -11.713 1.00 33.02 H new ATOM 0 HB2 LYS A 97 12.072 18.030 -12.436 1.00 71.21 H new ATOM 0 HB3 LYS A 97 10.403 18.224 -12.932 1.00 71.21 H new ATOM 0 HG2 LYS A 97 11.282 17.901 -10.037 1.00 51.04 H new ATOM 0 HG3 LYS A 97 11.029 19.450 -10.817 1.00 51.04 H new ATOM 0 HD2 LYS A 97 8.905 17.281 -10.519 1.00 40.42 H new ATOM 0 HD3 LYS A 97 9.047 18.692 -9.490 1.00 40.42 H new ATOM 0 HE2 LYS A 97 8.671 20.181 -11.433 1.00 1.23 H new ATOM 0 HE3 LYS A 97 8.606 18.796 -12.506 1.00 1.23 H new ATOM 0 HZ1 LYS A 97 6.402 19.558 -11.922 1.00 40.41 H new ATOM 0 HZ2 LYS A 97 6.658 17.995 -11.308 1.00 40.41 H new ATOM 0 HZ3 LYS A 97 6.721 19.337 -10.269 1.00 40.41 H new TER 1619 LYS A 97