USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 871 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 82 TYR OH : rot 180:sc= -0.109 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 150:sc= -0.445! (180deg=-3.04!) USER MOD Set 2.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0145 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -154:sc= -1.61! USER MOD Single : A 12 SER OG : rot -137:sc= 0.126 USER MOD Single : A 14 ASN : amide:sc= -0.166 X(o=-0.17,f=-0.015) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.4!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 15:sc= -0.099 USER MOD Single : A 42 GLN : amide:sc= -0.797 K(o=-0.8,f=-1.7!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 46 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.5) USER MOD Single : A 50 HIS : no HE2:sc= -1.04 K(o=-1,f=-2.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.687 K(o=-0.69,f=-0.14) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 92:sc= 0.0103 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 69:sc= -0.839 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= -1.01 (180deg=-1.59) USER MOD Single : A 84 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0434) USER MOD Single : A 85 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.2) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc=-0.00271 (180deg=-0.145) USER MOD Single : A 91 GLN : amide:sc= -0.054 X(o=-0.054,f=-0.062) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -176:sc= -0.0268 (180deg=-0.0638) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.196 K(o=-0.2,f=-4.6!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.891 23.205 21.393 1.00 0.00 N ATOM 2 CA GLY A 1 3.581 22.404 22.387 1.00 0.00 C ATOM 3 C GLY A 1 3.073 20.976 22.435 1.00 0.00 C ATOM 4 O GLY A 1 1.868 20.741 22.521 1.00 0.00 O ATOM 0 H1 GLY A 1 3.274 24.172 21.399 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.028 22.784 20.452 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.875 23.234 21.614 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.649 22.399 22.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.459 22.863 23.368 1.00 0.00 H new ATOM 8 N SER A 2 3.995 20.020 22.377 1.00 0.00 N ATOM 9 CA SER A 2 3.634 18.608 22.408 1.00 0.00 C ATOM 10 C SER A 2 2.834 18.279 23.665 1.00 0.00 C ATOM 11 O SER A 2 1.750 17.701 23.590 1.00 0.00 O ATOM 12 CB SER A 2 4.891 17.737 22.348 1.00 0.00 C ATOM 13 OG SER A 2 5.829 18.126 23.336 1.00 0.00 O ATOM 0 H SER A 2 4.997 20.198 22.308 1.00 0.00 H new ATOM 0 HA SER A 2 3.013 18.398 21.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.620 16.691 22.492 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.345 17.816 21.360 1.00 0.00 H new ATOM 0 HG SER A 2 6.622 17.553 23.278 1.00 0.00 H new ATOM 19 N SER A 3 3.377 18.652 24.819 1.00 0.00 N ATOM 20 CA SER A 3 2.717 18.394 26.093 1.00 0.00 C ATOM 21 C SER A 3 1.239 18.766 26.024 1.00 0.00 C ATOM 22 O SER A 3 0.881 19.852 25.570 1.00 0.00 O ATOM 23 CB SER A 3 3.401 19.180 27.214 1.00 0.00 C ATOM 24 OG SER A 3 4.767 18.821 27.328 1.00 0.00 O ATOM 0 H SER A 3 4.272 19.134 24.898 1.00 0.00 H new ATOM 0 HA SER A 3 2.796 17.328 26.306 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.318 20.249 27.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.892 18.990 28.159 1.00 0.00 H new ATOM 0 HG SER A 3 5.182 19.338 28.050 1.00 0.00 H new ATOM 30 N GLY A 4 0.384 17.855 26.480 1.00 0.00 N ATOM 31 CA GLY A 4 -1.045 18.105 26.461 1.00 0.00 C ATOM 32 C GLY A 4 -1.597 18.214 25.053 1.00 0.00 C ATOM 33 O GLY A 4 -1.186 17.475 24.159 1.00 0.00 O ATOM 0 H GLY A 4 0.656 16.949 26.862 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.558 17.300 26.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.257 19.027 27.003 1.00 0.00 H new ATOM 37 N SER A 5 -2.531 19.139 24.856 1.00 0.00 N ATOM 38 CA SER A 5 -3.144 19.339 23.548 1.00 0.00 C ATOM 39 C SER A 5 -2.775 20.705 22.978 1.00 0.00 C ATOM 40 O SER A 5 -3.020 21.737 23.603 1.00 0.00 O ATOM 41 CB SER A 5 -4.665 19.209 23.648 1.00 0.00 C ATOM 42 OG SER A 5 -5.257 19.142 22.363 1.00 0.00 O ATOM 0 H SER A 5 -2.880 19.761 25.585 1.00 0.00 H new ATOM 0 HA SER A 5 -2.765 18.570 22.875 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.920 18.314 24.216 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.071 20.060 24.195 1.00 0.00 H new ATOM 0 HG SER A 5 -6.229 19.058 22.455 1.00 0.00 H new ATOM 48 N SER A 6 -2.184 20.703 21.788 1.00 0.00 N ATOM 49 CA SER A 6 -1.777 21.942 21.134 1.00 0.00 C ATOM 50 C SER A 6 -2.966 22.614 20.456 1.00 0.00 C ATOM 51 O SER A 6 -2.878 23.759 20.015 1.00 0.00 O ATOM 52 CB SER A 6 -0.679 21.664 20.106 1.00 0.00 C ATOM 53 OG SER A 6 -1.192 20.953 18.992 1.00 0.00 O ATOM 0 H SER A 6 -1.976 19.858 21.257 1.00 0.00 H new ATOM 0 HA SER A 6 -1.388 22.616 21.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.243 22.605 19.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.122 21.089 20.571 1.00 0.00 H new ATOM 0 HG SER A 6 -0.471 20.789 18.348 1.00 0.00 H new ATOM 59 N GLY A 7 -4.080 21.892 20.376 1.00 0.00 N ATOM 60 CA GLY A 7 -5.272 22.434 19.750 1.00 0.00 C ATOM 61 C GLY A 7 -5.332 22.139 18.265 1.00 0.00 C ATOM 62 O GLY A 7 -4.326 21.776 17.656 1.00 0.00 O ATOM 0 H GLY A 7 -4.178 20.942 20.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.155 22.018 20.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.301 23.513 19.904 1.00 0.00 H new ATOM 66 N MET A 8 -6.516 22.294 17.680 1.00 0.00 N ATOM 67 CA MET A 8 -6.703 22.041 16.256 1.00 0.00 C ATOM 68 C MET A 8 -7.855 22.873 15.703 1.00 0.00 C ATOM 69 O MET A 8 -9.015 22.651 16.048 1.00 0.00 O ATOM 70 CB MET A 8 -6.968 20.554 16.011 1.00 0.00 C ATOM 71 CG MET A 8 -7.423 20.244 14.594 1.00 0.00 C ATOM 72 SD MET A 8 -9.209 20.386 14.391 1.00 0.00 S ATOM 73 CE MET A 8 -9.747 18.789 14.997 1.00 0.00 C ATOM 0 H MET A 8 -7.359 22.593 18.170 1.00 0.00 H new ATOM 0 HA MET A 8 -5.789 22.330 15.738 1.00 0.00 H new ATOM 0 HB2 MET A 8 -6.059 19.991 16.223 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.728 20.208 16.712 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.927 20.923 13.901 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.110 19.234 14.329 1.00 0.00 H new ATOM 0 HE1 MET A 8 -10.833 18.724 14.935 1.00 0.00 H new ATOM 0 HE2 MET A 8 -9.301 18.001 14.391 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.435 18.669 16.034 1.00 0.00 H new ATOM 83 N SER A 9 -7.527 23.832 14.842 1.00 0.00 N ATOM 84 CA SER A 9 -8.535 24.700 14.245 1.00 0.00 C ATOM 85 C SER A 9 -9.124 24.064 12.989 1.00 0.00 C ATOM 86 O SER A 9 -10.328 23.819 12.910 1.00 0.00 O ATOM 87 CB SER A 9 -7.928 26.062 13.904 1.00 0.00 C ATOM 88 OG SER A 9 -8.915 26.951 13.408 1.00 0.00 O ATOM 0 H SER A 9 -6.572 24.027 14.543 1.00 0.00 H new ATOM 0 HA SER A 9 -9.336 24.839 14.971 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.463 26.489 14.793 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.140 25.937 13.161 1.00 0.00 H new ATOM 0 HG SER A 9 -8.502 27.815 13.199 1.00 0.00 H new ATOM 94 N SER A 10 -8.266 23.799 12.009 1.00 0.00 N ATOM 95 CA SER A 10 -8.700 23.196 10.755 1.00 0.00 C ATOM 96 C SER A 10 -7.519 22.579 10.011 1.00 0.00 C ATOM 97 O SER A 10 -6.416 23.128 10.007 1.00 0.00 O ATOM 98 CB SER A 10 -9.383 24.241 9.871 1.00 0.00 C ATOM 99 OG SER A 10 -9.960 23.640 8.724 1.00 0.00 O ATOM 0 H SER A 10 -7.266 23.993 12.060 1.00 0.00 H new ATOM 0 HA SER A 10 -9.413 22.406 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.155 24.757 10.442 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.657 24.994 9.565 1.00 0.00 H new ATOM 0 HG SER A 10 -10.392 24.328 8.176 1.00 0.00 H new ATOM 105 N THR A 11 -7.757 21.432 9.382 1.00 0.00 N ATOM 106 CA THR A 11 -6.715 20.739 8.636 1.00 0.00 C ATOM 107 C THR A 11 -7.231 20.264 7.283 1.00 0.00 C ATOM 108 O THR A 11 -8.375 19.825 7.163 1.00 0.00 O ATOM 109 CB THR A 11 -6.174 19.528 9.420 1.00 0.00 C ATOM 110 OG1 THR A 11 -5.128 18.891 8.677 1.00 0.00 O ATOM 111 CG2 THR A 11 -7.284 18.527 9.703 1.00 0.00 C ATOM 0 H THR A 11 -8.663 20.964 9.375 1.00 0.00 H new ATOM 0 HA THR A 11 -5.907 21.454 8.483 1.00 0.00 H new ATOM 0 HB THR A 11 -5.778 19.886 10.370 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.072 17.947 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.878 17.681 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.065 19.007 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.706 18.175 8.761 1.00 0.00 H new ATOM 119 N SER A 12 -6.381 20.354 6.265 1.00 0.00 N ATOM 120 CA SER A 12 -6.752 19.935 4.919 1.00 0.00 C ATOM 121 C SER A 12 -7.371 18.541 4.934 1.00 0.00 C ATOM 122 O SER A 12 -7.096 17.722 5.811 1.00 0.00 O ATOM 123 CB SER A 12 -5.529 19.953 4.000 1.00 0.00 C ATOM 124 OG SER A 12 -5.344 21.233 3.421 1.00 0.00 O ATOM 0 H SER A 12 -5.430 20.714 6.347 1.00 0.00 H new ATOM 0 HA SER A 12 -7.493 20.638 4.539 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.640 19.675 4.567 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.651 19.209 3.213 1.00 0.00 H new ATOM 0 HG SER A 12 -5.120 21.134 2.472 1.00 0.00 H new ATOM 130 N PRO A 13 -8.227 18.263 3.940 1.00 0.00 N ATOM 131 CA PRO A 13 -8.903 16.968 3.816 1.00 0.00 C ATOM 132 C PRO A 13 -7.943 15.848 3.432 1.00 0.00 C ATOM 133 O PRO A 13 -8.203 14.676 3.700 1.00 0.00 O ATOM 134 CB PRO A 13 -9.921 17.206 2.698 1.00 0.00 C ATOM 135 CG PRO A 13 -9.345 18.317 1.890 1.00 0.00 C ATOM 136 CD PRO A 13 -8.602 19.192 2.861 1.00 0.00 C ATOM 0 HA PRO A 13 -9.350 16.649 4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.062 16.310 2.094 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.897 17.475 3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.676 17.933 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.130 18.877 1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.725 19.648 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.228 20.005 3.230 1.00 0.00 H new ATOM 144 N ASN A 14 -6.830 16.217 2.805 1.00 0.00 N ATOM 145 CA ASN A 14 -5.831 15.242 2.385 1.00 0.00 C ATOM 146 C ASN A 14 -5.028 14.736 3.580 1.00 0.00 C ATOM 147 O ASN A 14 -4.804 13.534 3.728 1.00 0.00 O ATOM 148 CB ASN A 14 -4.890 15.859 1.348 1.00 0.00 C ATOM 149 CG ASN A 14 -5.639 16.589 0.250 1.00 0.00 C ATOM 150 OD1 ASN A 14 -6.065 15.983 -0.734 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.802 17.896 0.413 1.00 0.00 N ATOM 0 H ASN A 14 -6.598 17.184 2.577 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.352 14.396 1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.211 16.553 1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.276 15.074 0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.297 18.440 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.432 18.356 1.245 1.00 0.00 H new ATOM 158 N LEU A 15 -4.597 15.662 4.430 1.00 0.00 N ATOM 159 CA LEU A 15 -3.819 15.311 5.613 1.00 0.00 C ATOM 160 C LEU A 15 -4.673 14.544 6.618 1.00 0.00 C ATOM 161 O LEU A 15 -4.254 13.512 7.142 1.00 0.00 O ATOM 162 CB LEU A 15 -3.251 16.572 6.266 1.00 0.00 C ATOM 163 CG LEU A 15 -2.605 16.384 7.639 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.398 15.464 7.540 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.205 17.729 8.229 1.00 0.00 C ATOM 0 H LEU A 15 -4.773 16.661 4.322 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.996 14.669 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.509 17.003 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.055 17.301 6.362 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.336 15.921 8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.951 15.342 8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.712 14.491 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.664 15.898 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.747 17.576 9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.492 18.219 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.090 18.356 8.337 1.00 0.00 H new ATOM 177 N GLN A 16 -5.871 15.055 6.880 1.00 0.00 N ATOM 178 CA GLN A 16 -6.784 14.417 7.821 1.00 0.00 C ATOM 179 C GLN A 16 -6.979 12.944 7.477 1.00 0.00 C ATOM 180 O GLN A 16 -6.987 12.085 8.358 1.00 0.00 O ATOM 181 CB GLN A 16 -8.134 15.136 7.823 1.00 0.00 C ATOM 182 CG GLN A 16 -9.162 14.498 8.743 1.00 0.00 C ATOM 183 CD GLN A 16 -8.945 14.860 10.199 1.00 0.00 C ATOM 184 OE1 GLN A 16 -9.080 16.020 10.589 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.608 13.866 11.013 1.00 0.00 N ATOM 0 H GLN A 16 -6.232 15.909 6.454 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.344 14.484 8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.984 16.173 8.124 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.529 15.153 6.807 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.161 14.812 8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.121 13.414 8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.507 12.919 10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.450 14.049 12.004 1.00 0.00 H new ATOM 194 N LYS A 17 -7.136 12.659 6.189 1.00 0.00 N ATOM 195 CA LYS A 17 -7.330 11.290 5.726 1.00 0.00 C ATOM 196 C LYS A 17 -6.126 10.421 6.075 1.00 0.00 C ATOM 197 O LYS A 17 -6.275 9.326 6.616 1.00 0.00 O ATOM 198 CB LYS A 17 -7.565 11.269 4.214 1.00 0.00 C ATOM 199 CG LYS A 17 -7.618 9.870 3.625 1.00 0.00 C ATOM 200 CD LYS A 17 -8.519 9.813 2.403 1.00 0.00 C ATOM 201 CE LYS A 17 -9.059 8.410 2.173 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.087 8.381 1.096 1.00 0.00 N ATOM 0 H LYS A 17 -7.133 13.358 5.447 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.207 10.884 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.501 11.783 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.770 11.831 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.612 9.551 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.981 9.171 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.350 10.507 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.963 10.138 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.238 7.744 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.492 8.031 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.430 7.407 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.883 8.997 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.667 8.718 0.206 1.00 0.00 H new ATOM 216 N ALA A 18 -4.933 10.918 5.765 1.00 0.00 N ATOM 217 CA ALA A 18 -3.704 10.189 6.050 1.00 0.00 C ATOM 218 C ALA A 18 -3.657 9.739 7.506 1.00 0.00 C ATOM 219 O ALA A 18 -3.257 8.613 7.805 1.00 0.00 O ATOM 220 CB ALA A 18 -2.492 11.049 5.722 1.00 0.00 C ATOM 0 H ALA A 18 -4.792 11.823 5.316 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.685 9.299 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.581 10.492 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.510 11.316 4.665 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.516 11.956 6.326 1.00 0.00 H new ATOM 226 N ILE A 19 -4.068 10.624 8.407 1.00 0.00 N ATOM 227 CA ILE A 19 -4.074 10.316 9.832 1.00 0.00 C ATOM 228 C ILE A 19 -5.028 9.168 10.143 1.00 0.00 C ATOM 229 O ILE A 19 -4.618 8.128 10.658 1.00 0.00 O ATOM 230 CB ILE A 19 -4.474 11.544 10.672 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.480 12.686 10.451 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.547 11.176 12.146 1.00 0.00 C ATOM 233 CD1 ILE A 19 -4.064 14.055 10.721 1.00 0.00 C ATOM 0 H ILE A 19 -4.401 11.560 8.176 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.058 10.022 10.095 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.461 11.879 10.352 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.615 12.535 11.097 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.120 12.650 9.423 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.831 12.054 12.727 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.290 10.391 12.289 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.573 10.819 12.481 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.304 14.816 10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.911 14.227 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.399 14.110 11.757 1.00 0.00 H new ATOM 245 N ASP A 20 -6.303 9.364 9.826 1.00 0.00 N ATOM 246 CA ASP A 20 -7.317 8.344 10.068 1.00 0.00 C ATOM 247 C ASP A 20 -6.882 6.999 9.495 1.00 0.00 C ATOM 248 O ASP A 20 -6.940 5.974 10.176 1.00 0.00 O ATOM 249 CB ASP A 20 -8.653 8.766 9.454 1.00 0.00 C ATOM 250 CG ASP A 20 -9.832 8.059 10.092 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.827 7.895 11.331 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.761 7.671 9.354 1.00 0.00 O ATOM 0 H ASP A 20 -6.659 10.220 9.401 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.439 8.237 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.776 9.843 9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.641 8.554 8.385 1.00 0.00 H new ATOM 257 N LEU A 21 -6.448 7.009 8.240 1.00 0.00 N ATOM 258 CA LEU A 21 -6.004 5.789 7.574 1.00 0.00 C ATOM 259 C LEU A 21 -4.909 5.097 8.380 1.00 0.00 C ATOM 260 O LEU A 21 -5.066 3.951 8.802 1.00 0.00 O ATOM 261 CB LEU A 21 -5.493 6.109 6.168 1.00 0.00 C ATOM 262 CG LEU A 21 -6.550 6.545 5.153 1.00 0.00 C ATOM 263 CD1 LEU A 21 -5.896 7.218 3.957 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.385 5.354 4.707 1.00 0.00 C ATOM 0 H LEU A 21 -6.394 7.848 7.663 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.857 5.114 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.745 6.898 6.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.986 5.227 5.778 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.211 7.267 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.664 7.521 3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.343 8.096 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.211 6.520 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.132 5.683 3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.738 4.608 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.884 4.916 5.571 1.00 0.00 H new ATOM 276 N ALA A 22 -3.802 5.801 8.591 1.00 0.00 N ATOM 277 CA ALA A 22 -2.683 5.255 9.350 1.00 0.00 C ATOM 278 C ALA A 22 -3.157 4.645 10.665 1.00 0.00 C ATOM 279 O ALA A 22 -2.685 3.585 11.074 1.00 0.00 O ATOM 280 CB ALA A 22 -1.646 6.337 9.611 1.00 0.00 C ATOM 0 H ALA A 22 -3.656 6.750 8.247 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.225 4.463 8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.816 5.916 10.178 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.277 6.724 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.101 7.147 10.181 1.00 0.00 H new ATOM 286 N SER A 23 -4.092 5.323 11.323 1.00 0.00 N ATOM 287 CA SER A 23 -4.627 4.849 12.595 1.00 0.00 C ATOM 288 C SER A 23 -5.379 3.535 12.412 1.00 0.00 C ATOM 289 O SER A 23 -5.163 2.574 13.151 1.00 0.00 O ATOM 290 CB SER A 23 -5.555 5.901 13.205 1.00 0.00 C ATOM 291 OG SER A 23 -5.771 5.652 14.583 1.00 0.00 O ATOM 0 H SER A 23 -4.495 6.202 10.997 1.00 0.00 H new ATOM 0 HA SER A 23 -3.790 4.677 13.272 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.121 6.893 13.075 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.509 5.899 12.678 1.00 0.00 H new ATOM 0 HG SER A 23 -6.366 6.339 14.950 1.00 0.00 H new ATOM 297 N LYS A 24 -6.264 3.500 11.422 1.00 0.00 N ATOM 298 CA LYS A 24 -7.050 2.305 11.139 1.00 0.00 C ATOM 299 C LYS A 24 -6.144 1.094 10.937 1.00 0.00 C ATOM 300 O LYS A 24 -6.406 0.016 11.471 1.00 0.00 O ATOM 301 CB LYS A 24 -7.915 2.520 9.895 1.00 0.00 C ATOM 302 CG LYS A 24 -9.178 1.677 9.879 1.00 0.00 C ATOM 303 CD LYS A 24 -10.028 1.970 8.654 1.00 0.00 C ATOM 304 CE LYS A 24 -11.458 1.485 8.839 1.00 0.00 C ATOM 305 NZ LYS A 24 -11.547 -0.002 8.816 1.00 0.00 N ATOM 0 H LYS A 24 -6.455 4.287 10.801 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.697 2.115 11.995 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.190 3.573 9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.324 2.291 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.911 0.620 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.758 1.872 10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.029 3.042 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.589 1.487 7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.848 1.858 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.087 1.899 8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.537 -0.293 8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.198 -0.357 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.967 -0.396 9.584 1.00 0.00 H new ATOM 319 N ALA A 25 -5.078 1.280 10.166 1.00 0.00 N ATOM 320 CA ALA A 25 -4.133 0.203 9.897 1.00 0.00 C ATOM 321 C ALA A 25 -3.826 -0.587 11.165 1.00 0.00 C ATOM 322 O ALA A 25 -4.105 -1.782 11.246 1.00 0.00 O ATOM 323 CB ALA A 25 -2.851 0.764 9.299 1.00 0.00 C ATOM 0 H ALA A 25 -4.847 2.166 9.717 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.589 -0.477 9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.154 -0.051 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.080 1.278 8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.400 1.467 10.000 1.00 0.00 H new ATOM 329 N ALA A 26 -3.249 0.090 12.153 1.00 0.00 N ATOM 330 CA ALA A 26 -2.906 -0.549 13.418 1.00 0.00 C ATOM 331 C ALA A 26 -4.092 -1.324 13.981 1.00 0.00 C ATOM 332 O ALA A 26 -4.001 -2.528 14.219 1.00 0.00 O ATOM 333 CB ALA A 26 -2.426 0.490 14.421 1.00 0.00 C ATOM 0 H ALA A 26 -3.009 1.080 12.102 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.099 -1.258 13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.173 -0.001 15.361 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.544 0.996 14.027 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.216 1.221 14.594 1.00 0.00 H new ATOM 339 N GLN A 27 -5.202 -0.625 14.193 1.00 0.00 N ATOM 340 CA GLN A 27 -6.406 -1.249 14.731 1.00 0.00 C ATOM 341 C GLN A 27 -6.635 -2.620 14.104 1.00 0.00 C ATOM 342 O GLN A 27 -6.965 -3.582 14.797 1.00 0.00 O ATOM 343 CB GLN A 27 -7.622 -0.354 14.486 1.00 0.00 C ATOM 344 CG GLN A 27 -7.526 1.003 15.166 1.00 0.00 C ATOM 345 CD GLN A 27 -8.014 0.972 16.601 1.00 0.00 C ATOM 346 OE1 GLN A 27 -7.218 0.988 17.540 1.00 0.00 O ATOM 347 NE2 GLN A 27 -9.329 0.928 16.778 1.00 0.00 N ATOM 0 H GLN A 27 -5.293 0.373 14.001 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.269 -1.379 15.805 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.743 -0.206 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.517 -0.866 14.840 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.491 1.343 15.146 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.111 1.730 14.603 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.952 0.916 15.971 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.716 0.906 17.721 1.00 0.00 H new ATOM 356 N GLU A 28 -6.457 -2.702 12.789 1.00 0.00 N ATOM 357 CA GLU A 28 -6.646 -3.956 12.069 1.00 0.00 C ATOM 358 C GLU A 28 -5.627 -4.999 12.519 1.00 0.00 C ATOM 359 O GLU A 28 -5.991 -6.101 12.931 1.00 0.00 O ATOM 360 CB GLU A 28 -6.527 -3.727 10.561 1.00 0.00 C ATOM 361 CG GLU A 28 -7.587 -2.793 10.002 1.00 0.00 C ATOM 362 CD GLU A 28 -8.983 -3.381 10.081 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.312 -4.244 9.242 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.745 -2.977 10.985 1.00 0.00 O ATOM 0 H GLU A 28 -6.182 -1.915 12.201 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.645 -4.328 12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.541 -3.317 10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.595 -4.687 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.562 -1.851 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.352 -2.563 8.963 1.00 0.00 H new ATOM 371 N ASP A 29 -4.349 -4.644 12.434 1.00 0.00 N ATOM 372 CA ASP A 29 -3.277 -5.549 12.832 1.00 0.00 C ATOM 373 C ASP A 29 -3.612 -6.244 14.148 1.00 0.00 C ATOM 374 O ASP A 29 -3.653 -7.473 14.221 1.00 0.00 O ATOM 375 CB ASP A 29 -1.959 -4.784 12.967 1.00 0.00 C ATOM 376 CG ASP A 29 -0.821 -5.669 13.436 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.692 -5.868 14.662 1.00 0.00 O ATOM 378 OD2 ASP A 29 -0.059 -6.161 12.577 1.00 0.00 O ATOM 0 H ASP A 29 -4.031 -3.737 12.093 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.171 -6.309 12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.699 -4.342 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.090 -3.962 13.671 1.00 0.00 H new ATOM 383 N LYS A 30 -3.851 -5.451 15.187 1.00 0.00 N ATOM 384 CA LYS A 30 -4.183 -5.988 16.500 1.00 0.00 C ATOM 385 C LYS A 30 -5.380 -6.929 16.417 1.00 0.00 C ATOM 386 O LYS A 30 -5.348 -8.039 16.948 1.00 0.00 O ATOM 387 CB LYS A 30 -4.482 -4.851 17.479 1.00 0.00 C ATOM 388 CG LYS A 30 -4.154 -5.188 18.923 1.00 0.00 C ATOM 389 CD LYS A 30 -5.043 -4.424 19.890 1.00 0.00 C ATOM 390 CE LYS A 30 -4.551 -2.999 20.093 1.00 0.00 C ATOM 391 NZ LYS A 30 -3.560 -2.907 21.201 1.00 0.00 N ATOM 0 H LYS A 30 -3.821 -4.432 15.144 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.323 -6.553 16.861 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.914 -3.969 17.183 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.538 -4.589 17.407 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.276 -6.259 19.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.109 -4.952 19.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.065 -4.407 19.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.068 -4.941 20.849 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.099 -2.636 19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.399 -2.349 20.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.249 -1.920 21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.999 -3.229 22.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.739 -3.507 20.983 1.00 0.00 H new ATOM 405 N ALA A 31 -6.435 -6.479 15.745 1.00 0.00 N ATOM 406 CA ALA A 31 -7.641 -7.282 15.588 1.00 0.00 C ATOM 407 C ALA A 31 -7.334 -8.604 14.893 1.00 0.00 C ATOM 408 O ALA A 31 -7.977 -9.619 15.155 1.00 0.00 O ATOM 409 CB ALA A 31 -8.695 -6.507 14.812 1.00 0.00 C ATOM 0 H ALA A 31 -6.478 -5.562 15.301 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.030 -7.506 16.581 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.590 -7.120 14.703 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.945 -5.593 15.351 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.307 -6.252 13.826 1.00 0.00 H new ATOM 415 N GLY A 32 -6.346 -8.584 14.003 1.00 0.00 N ATOM 416 CA GLY A 32 -5.972 -9.787 13.282 1.00 0.00 C ATOM 417 C GLY A 32 -6.092 -9.623 11.780 1.00 0.00 C ATOM 418 O GLY A 32 -6.126 -10.608 11.043 1.00 0.00 O ATOM 0 H GLY A 32 -5.798 -7.756 13.769 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.946 -10.054 13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.605 -10.613 13.606 1.00 0.00 H new ATOM 422 N ASN A 33 -6.157 -8.376 11.325 1.00 0.00 N ATOM 423 CA ASN A 33 -6.276 -8.088 9.900 1.00 0.00 C ATOM 424 C ASN A 33 -4.980 -7.494 9.356 1.00 0.00 C ATOM 425 O ASN A 33 -4.657 -6.335 9.620 1.00 0.00 O ATOM 426 CB ASN A 33 -7.437 -7.124 9.649 1.00 0.00 C ATOM 427 CG ASN A 33 -8.751 -7.847 9.424 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.781 -8.940 8.859 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.845 -7.238 9.866 1.00 0.00 N ATOM 0 H ASN A 33 -6.129 -7.549 11.922 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.472 -9.025 9.380 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.537 -6.451 10.500 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.212 -6.507 8.779 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.758 -7.676 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.773 -6.332 10.329 1.00 0.00 H new ATOM 436 N TYR A 34 -4.244 -8.294 8.593 1.00 0.00 N ATOM 437 CA TYR A 34 -2.983 -7.849 8.013 1.00 0.00 C ATOM 438 C TYR A 34 -3.188 -7.342 6.588 1.00 0.00 C ATOM 439 O TYR A 34 -2.646 -6.307 6.203 1.00 0.00 O ATOM 440 CB TYR A 34 -1.964 -8.990 8.018 1.00 0.00 C ATOM 441 CG TYR A 34 -1.362 -9.258 9.379 1.00 0.00 C ATOM 442 CD1 TYR A 34 -2.158 -9.288 10.518 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.001 -9.481 9.526 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.613 -9.532 11.764 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.555 -9.727 10.768 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.256 -9.752 11.883 1.00 0.00 C ATOM 447 OH TYR A 34 0.292 -9.995 13.122 1.00 0.00 O ATOM 0 H TYR A 34 -4.499 -9.254 8.362 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.602 -7.028 8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.447 -9.899 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.164 -8.755 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.221 -9.118 10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.639 -9.462 8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.245 -9.550 12.639 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.617 -9.899 10.865 1.00 0.00 H new ATOM 0 HH TYR A 34 1.258 -10.130 13.031 1.00 0.00 H new ATOM 457 N GLU A 35 -3.976 -8.080 5.812 1.00 0.00 N ATOM 458 CA GLU A 35 -4.253 -7.705 4.430 1.00 0.00 C ATOM 459 C GLU A 35 -4.850 -6.303 4.356 1.00 0.00 C ATOM 460 O GLU A 35 -4.542 -5.534 3.446 1.00 0.00 O ATOM 461 CB GLU A 35 -5.208 -8.713 3.787 1.00 0.00 C ATOM 462 CG GLU A 35 -5.304 -8.582 2.277 1.00 0.00 C ATOM 463 CD GLU A 35 -6.173 -7.416 1.846 1.00 0.00 C ATOM 464 OE1 GLU A 35 -7.209 -7.174 2.500 1.00 0.00 O ATOM 465 OE2 GLU A 35 -5.816 -6.745 0.855 1.00 0.00 O ATOM 0 H GLU A 35 -4.433 -8.940 6.116 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.310 -7.709 3.883 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.879 -9.722 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.201 -8.586 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.304 -8.457 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.708 -9.505 1.861 1.00 0.00 H new ATOM 472 N GLU A 36 -5.707 -5.979 5.320 1.00 0.00 N ATOM 473 CA GLU A 36 -6.348 -4.670 5.363 1.00 0.00 C ATOM 474 C GLU A 36 -5.404 -3.620 5.942 1.00 0.00 C ATOM 475 O GLU A 36 -5.340 -2.492 5.454 1.00 0.00 O ATOM 476 CB GLU A 36 -7.631 -4.733 6.194 1.00 0.00 C ATOM 477 CG GLU A 36 -8.670 -3.701 5.790 1.00 0.00 C ATOM 478 CD GLU A 36 -9.589 -4.198 4.691 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.075 -4.696 3.668 1.00 0.00 O ATOM 480 OE2 GLU A 36 -10.822 -4.090 4.854 1.00 0.00 O ATOM 0 H GLU A 36 -5.973 -6.604 6.081 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.599 -4.383 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.065 -5.729 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.380 -4.591 7.245 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.266 -3.430 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.165 -2.795 5.455 1.00 0.00 H new ATOM 487 N ALA A 37 -4.674 -4.001 6.985 1.00 0.00 N ATOM 488 CA ALA A 37 -3.733 -3.094 7.631 1.00 0.00 C ATOM 489 C ALA A 37 -2.658 -2.632 6.653 1.00 0.00 C ATOM 490 O ALA A 37 -2.338 -1.444 6.581 1.00 0.00 O ATOM 491 CB ALA A 37 -3.098 -3.765 8.839 1.00 0.00 C ATOM 0 H ALA A 37 -4.716 -4.931 7.401 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.284 -2.215 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.398 -3.076 9.311 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.875 -4.039 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.566 -4.661 8.520 1.00 0.00 H new ATOM 497 N LEU A 38 -2.102 -3.577 5.902 1.00 0.00 N ATOM 498 CA LEU A 38 -1.062 -3.267 4.929 1.00 0.00 C ATOM 499 C LEU A 38 -1.507 -2.147 3.993 1.00 0.00 C ATOM 500 O LEU A 38 -0.884 -1.087 3.939 1.00 0.00 O ATOM 501 CB LEU A 38 -0.707 -4.514 4.117 1.00 0.00 C ATOM 502 CG LEU A 38 0.186 -4.289 2.896 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.521 -3.691 3.314 1.00 0.00 C ATOM 504 CD2 LEU A 38 0.396 -5.594 2.142 1.00 0.00 C ATOM 0 H LEU A 38 -2.355 -4.564 5.949 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.179 -2.931 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.211 -5.225 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.633 -4.982 3.783 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.312 -3.584 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.143 -3.538 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.352 -2.735 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.025 -4.371 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.034 -5.415 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.872 -6.322 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.567 -5.981 1.810 1.00 0.00 H new ATOM 516 N GLN A 39 -2.589 -2.390 3.261 1.00 0.00 N ATOM 517 CA GLN A 39 -3.118 -1.401 2.329 1.00 0.00 C ATOM 518 C GLN A 39 -3.276 -0.044 3.007 1.00 0.00 C ATOM 519 O GLN A 39 -2.780 0.970 2.513 1.00 0.00 O ATOM 520 CB GLN A 39 -4.465 -1.865 1.771 1.00 0.00 C ATOM 521 CG GLN A 39 -4.341 -2.914 0.678 1.00 0.00 C ATOM 522 CD GLN A 39 -4.160 -2.305 -0.698 1.00 0.00 C ATOM 523 OE1 GLN A 39 -3.036 -2.117 -1.164 1.00 0.00 O ATOM 524 NE2 GLN A 39 -5.269 -1.993 -1.359 1.00 0.00 N ATOM 0 H GLN A 39 -3.116 -3.262 3.295 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.409 -1.296 1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.066 -2.270 2.585 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.002 -1.003 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.494 -3.564 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.232 -3.541 0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.181 -2.166 -0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.209 -1.581 -2.290 1.00 0.00 H new ATOM 533 N LEU A 40 -3.968 -0.032 4.140 1.00 0.00 N ATOM 534 CA LEU A 40 -4.192 1.202 4.887 1.00 0.00 C ATOM 535 C LEU A 40 -2.870 1.892 5.207 1.00 0.00 C ATOM 536 O LEU A 40 -2.748 3.111 5.083 1.00 0.00 O ATOM 537 CB LEU A 40 -4.953 0.907 6.180 1.00 0.00 C ATOM 538 CG LEU A 40 -6.442 0.596 6.027 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.985 -0.052 7.291 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.220 1.862 5.699 1.00 0.00 C ATOM 0 H LEU A 40 -4.384 -0.862 4.562 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.788 1.871 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.475 0.061 6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.848 1.765 6.844 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.564 -0.106 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.046 -0.266 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.448 -0.981 7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.851 0.626 8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.278 1.622 5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.091 2.587 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.849 2.285 4.765 1.00 0.00 H new ATOM 552 N TYR A 41 -1.882 1.104 5.616 1.00 0.00 N ATOM 553 CA TYR A 41 -0.568 1.639 5.954 1.00 0.00 C ATOM 554 C TYR A 41 0.052 2.356 4.759 1.00 0.00 C ATOM 555 O TYR A 41 0.584 3.458 4.891 1.00 0.00 O ATOM 556 CB TYR A 41 0.357 0.516 6.426 1.00 0.00 C ATOM 557 CG TYR A 41 0.239 0.215 7.903 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.539 1.181 8.855 1.00 0.00 C ATOM 559 CD2 TYR A 41 -0.171 -1.036 8.346 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.434 0.910 10.206 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.281 -1.316 9.694 1.00 0.00 C ATOM 562 CZ TYR A 41 0.023 -0.340 10.620 1.00 0.00 C ATOM 563 OH TYR A 41 -0.084 -0.614 11.964 1.00 0.00 O ATOM 0 H TYR A 41 -1.966 0.093 5.722 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.694 2.360 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.134 -0.389 5.860 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.388 0.787 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.860 2.161 8.534 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.408 -1.803 7.624 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.672 1.672 10.933 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.603 -2.294 10.021 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.069 0.225 12.471 1.00 0.00 H new ATOM 573 N GLN A 42 -0.022 1.722 3.593 1.00 0.00 N ATOM 574 CA GLN A 42 0.532 2.298 2.374 1.00 0.00 C ATOM 575 C GLN A 42 -0.153 3.618 2.036 1.00 0.00 C ATOM 576 O GLN A 42 0.507 4.637 1.829 1.00 0.00 O ATOM 577 CB GLN A 42 0.383 1.319 1.208 1.00 0.00 C ATOM 578 CG GLN A 42 1.074 -0.015 1.442 1.00 0.00 C ATOM 579 CD GLN A 42 1.475 -0.698 0.150 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.713 -0.043 -0.865 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.553 -2.024 0.180 1.00 0.00 N ATOM 0 H GLN A 42 -0.460 0.810 3.467 1.00 0.00 H new ATOM 0 HA GLN A 42 1.591 2.492 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.677 1.143 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.790 1.776 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.961 0.142 2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.409 -0.671 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.347 -2.528 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.819 -2.538 -0.660 1.00 0.00 H new ATOM 590 N HIS A 43 -1.481 3.592 1.980 1.00 0.00 N ATOM 591 CA HIS A 43 -2.256 4.788 1.667 1.00 0.00 C ATOM 592 C HIS A 43 -1.855 5.948 2.572 1.00 0.00 C ATOM 593 O HIS A 43 -1.493 7.024 2.096 1.00 0.00 O ATOM 594 CB HIS A 43 -3.751 4.504 1.813 1.00 0.00 C ATOM 595 CG HIS A 43 -4.384 3.970 0.565 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.726 4.767 -0.507 1.00 0.00 N ATOM 597 CD2 HIS A 43 -4.736 2.709 0.221 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.262 4.020 -1.455 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.280 2.767 -1.039 1.00 0.00 N ATOM 0 H HIS A 43 -2.042 2.757 2.147 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.046 5.068 0.635 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.899 3.787 2.621 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.260 5.423 2.104 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.612 1.822 0.825 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.624 4.374 -2.409 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.639 1.972 -1.567 1.00 0.00 H new ATOM 608 N ALA A 44 -1.923 5.722 3.880 1.00 0.00 N ATOM 609 CA ALA A 44 -1.566 6.748 4.852 1.00 0.00 C ATOM 610 C ALA A 44 -0.357 7.551 4.385 1.00 0.00 C ATOM 611 O ALA A 44 -0.364 8.781 4.420 1.00 0.00 O ATOM 612 CB ALA A 44 -1.291 6.117 6.209 1.00 0.00 C ATOM 0 H ALA A 44 -2.222 4.838 4.291 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.409 7.433 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.026 6.895 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.183 5.595 6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.467 5.409 6.121 1.00 0.00 H new ATOM 618 N VAL A 45 0.682 6.846 3.947 1.00 0.00 N ATOM 619 CA VAL A 45 1.899 7.493 3.472 1.00 0.00 C ATOM 620 C VAL A 45 1.639 8.281 2.194 1.00 0.00 C ATOM 621 O VAL A 45 2.005 9.452 2.090 1.00 0.00 O ATOM 622 CB VAL A 45 3.016 6.465 3.210 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.260 7.153 2.671 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.333 5.688 4.479 1.00 0.00 C ATOM 0 H VAL A 45 0.705 5.827 3.911 1.00 0.00 H new ATOM 0 HA VAL A 45 2.221 8.176 4.258 1.00 0.00 H new ATOM 0 HB VAL A 45 2.666 5.759 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.038 6.411 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.020 7.659 1.736 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.616 7.883 3.398 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.124 4.966 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.662 6.378 5.256 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.440 5.162 4.816 1.00 0.00 H new ATOM 634 N GLN A 46 1.005 7.632 1.223 1.00 0.00 N ATOM 635 CA GLN A 46 0.696 8.273 -0.050 1.00 0.00 C ATOM 636 C GLN A 46 0.064 9.644 0.171 1.00 0.00 C ATOM 637 O GLN A 46 0.510 10.642 -0.396 1.00 0.00 O ATOM 638 CB GLN A 46 -0.245 7.392 -0.874 1.00 0.00 C ATOM 639 CG GLN A 46 0.326 6.018 -1.184 1.00 0.00 C ATOM 640 CD GLN A 46 -0.599 5.183 -2.048 1.00 0.00 C ATOM 641 OE1 GLN A 46 -1.807 5.130 -1.813 1.00 0.00 O ATOM 642 NE2 GLN A 46 -0.037 4.526 -3.055 1.00 0.00 N ATOM 0 H GLN A 46 0.695 6.663 1.293 1.00 0.00 H new ATOM 0 HA GLN A 46 1.629 8.406 -0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.184 7.273 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.478 7.899 -1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.285 6.133 -1.690 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.520 5.490 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.968 4.598 -3.213 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.610 3.949 -3.670 1.00 0.00 H new ATOM 651 N TYR A 47 -0.975 9.685 0.996 1.00 0.00 N ATOM 652 CA TYR A 47 -1.670 10.933 1.289 1.00 0.00 C ATOM 653 C TYR A 47 -0.752 11.909 2.020 1.00 0.00 C ATOM 654 O TYR A 47 -0.657 13.081 1.655 1.00 0.00 O ATOM 655 CB TYR A 47 -2.918 10.661 2.131 1.00 0.00 C ATOM 656 CG TYR A 47 -4.052 10.040 1.349 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.924 10.827 0.607 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.254 8.665 1.353 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.963 10.264 -0.109 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.289 8.093 0.639 1.00 0.00 C ATOM 661 CZ TYR A 47 -6.141 8.896 -0.090 1.00 0.00 C ATOM 662 OH TYR A 47 -7.174 8.330 -0.801 1.00 0.00 O ATOM 0 H TYR A 47 -1.355 8.868 1.474 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.970 11.383 0.343 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.652 10.000 2.956 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.261 11.598 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.787 11.898 0.590 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.590 8.033 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.632 10.891 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.430 7.022 0.652 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.158 7.357 -0.682 1.00 0.00 H new ATOM 672 N PHE A 48 -0.078 11.416 3.053 1.00 0.00 N ATOM 673 CA PHE A 48 0.833 12.243 3.836 1.00 0.00 C ATOM 674 C PHE A 48 1.811 12.983 2.930 1.00 0.00 C ATOM 675 O PHE A 48 1.949 14.204 3.011 1.00 0.00 O ATOM 676 CB PHE A 48 1.602 11.381 4.840 1.00 0.00 C ATOM 677 CG PHE A 48 0.880 11.191 6.144 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.381 12.280 6.840 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.701 9.923 6.673 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.285 12.108 8.039 1.00 0.00 C ATOM 681 CE2 PHE A 48 0.036 9.745 7.871 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.456 10.839 8.556 1.00 0.00 C ATOM 0 H PHE A 48 -0.145 10.448 3.368 1.00 0.00 H new ATOM 0 HA PHE A 48 0.240 12.979 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.795 10.405 4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.571 11.841 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.514 13.275 6.441 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.086 9.064 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.671 12.965 8.571 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.099 8.751 8.272 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.973 10.702 9.494 1.00 0.00 H new ATOM 692 N LEU A 49 2.489 12.235 2.066 1.00 0.00 N ATOM 693 CA LEU A 49 3.457 12.819 1.143 1.00 0.00 C ATOM 694 C LEU A 49 2.812 13.916 0.301 1.00 0.00 C ATOM 695 O LEU A 49 3.238 15.071 0.335 1.00 0.00 O ATOM 696 CB LEU A 49 4.040 11.737 0.233 1.00 0.00 C ATOM 697 CG LEU A 49 5.068 10.804 0.873 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.326 9.600 -0.021 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.364 11.550 1.153 1.00 0.00 C ATOM 0 H LEU A 49 2.387 11.223 1.985 1.00 0.00 H new ATOM 0 HA LEU A 49 4.261 13.263 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.219 11.132 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.505 12.223 -0.625 1.00 0.00 H new ATOM 0 HG LEU A 49 4.666 10.447 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.060 8.947 0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.396 9.052 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.707 9.938 -0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.084 10.870 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.771 11.936 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.167 12.379 1.833 1.00 0.00 H new ATOM 711 N HIS A 50 1.782 13.547 -0.454 1.00 0.00 N ATOM 712 CA HIS A 50 1.076 14.500 -1.303 1.00 0.00 C ATOM 713 C HIS A 50 0.937 15.849 -0.606 1.00 0.00 C ATOM 714 O HIS A 50 1.052 16.900 -1.237 1.00 0.00 O ATOM 715 CB HIS A 50 -0.305 13.959 -1.674 1.00 0.00 C ATOM 716 CG HIS A 50 -1.128 14.919 -2.476 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.661 15.545 -3.613 1.00 0.00 N ATOM 718 CD2 HIS A 50 -2.397 15.358 -2.302 1.00 0.00 C ATOM 719 CE1 HIS A 50 -1.605 16.329 -4.101 1.00 0.00 C ATOM 720 NE2 HIS A 50 -2.669 16.233 -3.324 1.00 0.00 N ATOM 0 H HIS A 50 1.418 12.595 -0.495 1.00 0.00 H new ATOM 0 HA HIS A 50 1.659 14.640 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.184 13.035 -2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.844 13.705 -0.761 1.00 0.00 H new ATOM 0 HD1 HIS A 50 0.269 15.422 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -3.070 15.073 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.521 16.944 -4.985 1.00 0.00 H new ATOM 729 N VAL A 51 0.688 15.813 0.699 1.00 0.00 N ATOM 730 CA VAL A 51 0.533 17.033 1.483 1.00 0.00 C ATOM 731 C VAL A 51 1.851 17.794 1.581 1.00 0.00 C ATOM 732 O VAL A 51 1.928 18.972 1.232 1.00 0.00 O ATOM 733 CB VAL A 51 0.022 16.728 2.903 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.042 18.000 3.733 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.339 16.050 2.845 1.00 0.00 C ATOM 0 H VAL A 51 0.589 14.952 1.236 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.202 17.650 0.966 1.00 0.00 H new ATOM 0 HB VAL A 51 0.723 16.045 3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.405 17.764 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.953 18.439 3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.720 18.710 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.685 15.842 3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.052 16.707 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.257 15.115 2.290 1.00 0.00 H new ATOM 745 N VAL A 52 2.887 17.112 2.059 1.00 0.00 N ATOM 746 CA VAL A 52 4.204 17.722 2.202 1.00 0.00 C ATOM 747 C VAL A 52 4.765 18.142 0.848 1.00 0.00 C ATOM 748 O VAL A 52 5.796 18.810 0.771 1.00 0.00 O ATOM 749 CB VAL A 52 5.197 16.761 2.882 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.586 17.378 2.935 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.713 16.395 4.277 1.00 0.00 C ATOM 0 H VAL A 52 2.840 16.137 2.354 1.00 0.00 H new ATOM 0 HA VAL A 52 4.078 18.605 2.829 1.00 0.00 H new ATOM 0 HB VAL A 52 5.254 15.847 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.274 16.685 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.931 17.584 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.550 18.308 3.502 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.426 15.715 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.625 17.299 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.740 15.908 4.209 1.00 0.00 H new ATOM 761 N LYS A 53 4.080 17.746 -0.219 1.00 0.00 N ATOM 762 CA LYS A 53 4.508 18.081 -1.572 1.00 0.00 C ATOM 763 C LYS A 53 3.839 19.365 -2.051 1.00 0.00 C ATOM 764 O LYS A 53 4.511 20.348 -2.365 1.00 0.00 O ATOM 765 CB LYS A 53 4.182 16.935 -2.531 1.00 0.00 C ATOM 766 CG LYS A 53 5.101 16.872 -3.738 1.00 0.00 C ATOM 767 CD LYS A 53 4.834 18.015 -4.703 1.00 0.00 C ATOM 768 CE LYS A 53 5.910 18.102 -5.775 1.00 0.00 C ATOM 769 NZ LYS A 53 5.850 19.392 -6.516 1.00 0.00 N ATOM 0 H LYS A 53 3.225 17.192 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 53 5.587 18.237 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.242 15.991 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.153 17.041 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.139 16.908 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.963 15.921 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.861 17.876 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.790 18.955 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.892 17.993 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.793 17.275 -6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.599 19.413 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.922 19.485 -6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.987 20.181 -5.852 1.00 0.00 H new ATOM 783 N TYR A 54 2.511 19.351 -2.104 1.00 0.00 N ATOM 784 CA TYR A 54 1.751 20.515 -2.546 1.00 0.00 C ATOM 785 C TYR A 54 1.196 21.288 -1.353 1.00 0.00 C ATOM 786 O TYR A 54 1.449 22.482 -1.202 1.00 0.00 O ATOM 787 CB TYR A 54 0.608 20.084 -3.466 1.00 0.00 C ATOM 788 CG TYR A 54 1.053 19.205 -4.614 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.199 17.834 -4.448 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.327 19.747 -5.863 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.606 17.027 -5.493 1.00 0.00 C ATOM 792 CE2 TYR A 54 1.733 18.948 -6.915 1.00 0.00 C ATOM 793 CZ TYR A 54 1.871 17.589 -6.725 1.00 0.00 C ATOM 794 OH TYR A 54 2.277 16.790 -7.769 1.00 0.00 O ATOM 0 H TYR A 54 1.939 18.547 -1.846 1.00 0.00 H new ATOM 0 HA TYR A 54 2.425 21.170 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.138 19.550 -2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.121 20.973 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.991 17.391 -3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.221 20.811 -6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.716 15.963 -5.346 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.941 19.385 -7.880 1.00 0.00 H new ATOM 0 HH TYR A 54 2.421 17.341 -8.566 1.00 0.00 H new ATOM 804 N GLU A 55 0.437 20.595 -0.509 1.00 0.00 N ATOM 805 CA GLU A 55 -0.155 21.216 0.670 1.00 0.00 C ATOM 806 C GLU A 55 0.847 21.266 1.820 1.00 0.00 C ATOM 807 O GLU A 55 0.493 21.038 2.976 1.00 0.00 O ATOM 808 CB GLU A 55 -1.407 20.451 1.102 1.00 0.00 C ATOM 809 CG GLU A 55 -2.561 20.568 0.122 1.00 0.00 C ATOM 810 CD GLU A 55 -3.369 21.836 0.319 1.00 0.00 C ATOM 811 OE1 GLU A 55 -2.759 22.924 0.380 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.610 21.740 0.414 1.00 0.00 O ATOM 0 H GLU A 55 0.218 19.605 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.434 22.237 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.154 19.398 1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.730 20.820 2.076 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.172 20.544 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.216 19.704 0.233 1.00 0.00 H new ATOM 819 N ALA A 56 2.100 21.564 1.492 1.00 0.00 N ATOM 820 CA ALA A 56 3.153 21.645 2.497 1.00 0.00 C ATOM 821 C ALA A 56 2.922 22.819 3.442 1.00 0.00 C ATOM 822 O ALA A 56 2.139 23.721 3.144 1.00 0.00 O ATOM 823 CB ALA A 56 4.514 21.765 1.826 1.00 0.00 C ATOM 0 H ALA A 56 2.410 21.753 0.539 1.00 0.00 H new ATOM 0 HA ALA A 56 3.130 20.729 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.291 21.825 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.688 20.892 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.539 22.665 1.211 1.00 0.00 H new ATOM 829 N GLN A 57 3.607 22.800 4.581 1.00 0.00 N ATOM 830 CA GLN A 57 3.473 23.863 5.570 1.00 0.00 C ATOM 831 C GLN A 57 4.839 24.417 5.961 1.00 0.00 C ATOM 832 O GLN A 57 5.168 25.562 5.651 1.00 0.00 O ATOM 833 CB GLN A 57 2.745 23.346 6.811 1.00 0.00 C ATOM 834 CG GLN A 57 1.437 22.639 6.499 1.00 0.00 C ATOM 835 CD GLN A 57 0.973 21.741 7.629 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.271 22.183 8.540 1.00 0.00 O ATOM 837 NE2 GLN A 57 1.364 20.473 7.578 1.00 0.00 N ATOM 0 H GLN A 57 4.260 22.061 4.842 1.00 0.00 H new ATOM 0 HA GLN A 57 2.888 24.668 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.401 22.659 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.545 24.183 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.667 23.383 6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.557 22.044 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.945 20.149 6.805 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.083 19.823 8.312 1.00 0.00 H new ATOM 846 N GLY A 58 5.632 23.597 6.644 1.00 0.00 N ATOM 847 CA GLY A 58 6.953 24.024 7.067 1.00 0.00 C ATOM 848 C GLY A 58 7.816 22.866 7.529 1.00 0.00 C ATOM 849 O GLY A 58 7.344 21.733 7.631 1.00 0.00 O ATOM 0 H GLY A 58 5.383 22.645 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.448 24.535 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.856 24.747 7.877 1.00 0.00 H new ATOM 853 N ASP A 59 9.083 23.149 7.808 1.00 0.00 N ATOM 854 CA ASP A 59 10.014 22.122 8.261 1.00 0.00 C ATOM 855 C ASP A 59 9.378 21.249 9.338 1.00 0.00 C ATOM 856 O ASP A 59 9.246 20.036 9.171 1.00 0.00 O ATOM 857 CB ASP A 59 11.293 22.765 8.799 1.00 0.00 C ATOM 858 CG ASP A 59 12.195 21.765 9.495 1.00 0.00 C ATOM 859 OD1 ASP A 59 11.846 21.326 10.611 1.00 0.00 O ATOM 860 OD2 ASP A 59 13.251 21.421 8.923 1.00 0.00 O ATOM 0 H ASP A 59 9.489 24.081 7.729 1.00 0.00 H new ATOM 0 HA ASP A 59 10.264 21.491 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.837 23.229 7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.031 23.560 9.497 1.00 0.00 H new ATOM 865 N LYS A 60 8.984 21.872 10.443 1.00 0.00 N ATOM 866 CA LYS A 60 8.361 21.153 11.548 1.00 0.00 C ATOM 867 C LYS A 60 7.351 20.133 11.032 1.00 0.00 C ATOM 868 O LYS A 60 7.488 18.934 11.271 1.00 0.00 O ATOM 869 CB LYS A 60 7.672 22.134 12.498 1.00 0.00 C ATOM 870 CG LYS A 60 8.617 23.153 13.112 1.00 0.00 C ATOM 871 CD LYS A 60 7.905 24.037 14.121 1.00 0.00 C ATOM 872 CE LYS A 60 8.557 25.408 14.220 1.00 0.00 C ATOM 873 NZ LYS A 60 7.574 26.465 14.584 1.00 0.00 N ATOM 0 H LYS A 60 9.085 22.875 10.597 1.00 0.00 H new ATOM 0 HA LYS A 60 9.143 20.621 12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.886 22.660 11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.187 21.573 13.297 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.444 22.636 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.048 23.772 12.325 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.860 24.150 13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.916 23.556 15.099 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.352 25.379 14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.023 25.658 13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.058 27.384 14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.829 26.510 13.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.148 26.240 15.506 1.00 0.00 H new ATOM 887 N ALA A 61 6.337 20.618 10.323 1.00 0.00 N ATOM 888 CA ALA A 61 5.306 19.749 9.770 1.00 0.00 C ATOM 889 C ALA A 61 5.914 18.682 8.866 1.00 0.00 C ATOM 890 O ALA A 61 5.460 17.538 8.845 1.00 0.00 O ATOM 891 CB ALA A 61 4.278 20.569 9.005 1.00 0.00 C ATOM 0 H ALA A 61 6.208 21.609 10.118 1.00 0.00 H new ATOM 0 HA ALA A 61 4.808 19.245 10.598 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.514 19.907 8.598 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.813 21.289 9.678 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.770 21.100 8.190 1.00 0.00 H new ATOM 897 N LYS A 62 6.944 19.064 8.118 1.00 0.00 N ATOM 898 CA LYS A 62 7.616 18.141 7.211 1.00 0.00 C ATOM 899 C LYS A 62 8.270 16.999 7.983 1.00 0.00 C ATOM 900 O LYS A 62 7.882 15.840 7.841 1.00 0.00 O ATOM 901 CB LYS A 62 8.670 18.882 6.385 1.00 0.00 C ATOM 902 CG LYS A 62 8.111 19.537 5.134 1.00 0.00 C ATOM 903 CD LYS A 62 8.920 20.760 4.736 1.00 0.00 C ATOM 904 CE LYS A 62 8.111 21.702 3.858 1.00 0.00 C ATOM 905 NZ LYS A 62 8.952 22.796 3.297 1.00 0.00 N ATOM 0 H LYS A 62 7.332 20.007 8.122 1.00 0.00 H new ATOM 0 HA LYS A 62 6.867 17.720 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.137 19.646 7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.454 18.181 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.110 18.818 4.315 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.074 19.826 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.248 21.288 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.818 20.446 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.657 21.139 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.297 22.132 4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.364 23.417 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.365 23.349 4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.714 22.387 2.720 1.00 0.00 H new ATOM 919 N GLN A 63 9.263 17.336 8.800 1.00 0.00 N ATOM 920 CA GLN A 63 9.970 16.338 9.594 1.00 0.00 C ATOM 921 C GLN A 63 8.991 15.499 10.410 1.00 0.00 C ATOM 922 O GLN A 63 9.281 14.355 10.760 1.00 0.00 O ATOM 923 CB GLN A 63 10.978 17.016 10.524 1.00 0.00 C ATOM 924 CG GLN A 63 10.331 17.855 11.615 1.00 0.00 C ATOM 925 CD GLN A 63 11.267 18.124 12.776 1.00 0.00 C ATOM 926 OE1 GLN A 63 12.247 18.857 12.642 1.00 0.00 O ATOM 927 NE2 GLN A 63 10.969 17.530 13.926 1.00 0.00 N ATOM 0 H GLN A 63 9.596 18.291 8.929 1.00 0.00 H new ATOM 0 HA GLN A 63 10.504 15.678 8.911 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.603 16.253 10.987 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.637 17.651 9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.002 18.804 11.191 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.441 17.344 11.982 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.147 16.930 13.992 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.563 17.674 14.743 1.00 0.00 H new ATOM 936 N SER A 64 7.832 16.076 10.711 1.00 0.00 N ATOM 937 CA SER A 64 6.812 15.384 11.489 1.00 0.00 C ATOM 938 C SER A 64 6.101 14.334 10.641 1.00 0.00 C ATOM 939 O SER A 64 6.131 13.143 10.953 1.00 0.00 O ATOM 940 CB SER A 64 5.795 16.384 12.042 1.00 0.00 C ATOM 941 OG SER A 64 6.222 16.909 13.287 1.00 0.00 O ATOM 0 H SER A 64 7.576 17.022 10.427 1.00 0.00 H new ATOM 0 HA SER A 64 7.305 14.881 12.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.655 17.197 11.330 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.828 15.895 12.162 1.00 0.00 H new ATOM 0 HG SER A 64 6.736 17.730 13.137 1.00 0.00 H new ATOM 947 N ILE A 65 5.461 14.785 9.567 1.00 0.00 N ATOM 948 CA ILE A 65 4.742 13.886 8.673 1.00 0.00 C ATOM 949 C ILE A 65 5.668 12.810 8.115 1.00 0.00 C ATOM 950 O ILE A 65 5.310 11.633 8.068 1.00 0.00 O ATOM 951 CB ILE A 65 4.100 14.652 7.501 1.00 0.00 C ATOM 952 CG1 ILE A 65 3.037 15.623 8.020 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.493 13.679 6.502 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.516 16.570 6.962 1.00 0.00 C ATOM 0 H ILE A 65 5.426 15.767 9.295 1.00 0.00 H new ATOM 0 HA ILE A 65 3.956 13.416 9.264 1.00 0.00 H new ATOM 0 HB ILE A 65 4.875 15.227 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.203 15.052 8.428 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.457 16.204 8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.043 14.235 5.680 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.272 13.023 6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.728 13.080 6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.766 17.229 7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.340 17.167 6.571 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.066 15.997 6.151 1.00 0.00 H new ATOM 966 N ARG A 66 6.859 13.222 7.695 1.00 0.00 N ATOM 967 CA ARG A 66 7.837 12.293 7.141 1.00 0.00 C ATOM 968 C ARG A 66 8.126 11.160 8.120 1.00 0.00 C ATOM 969 O ARG A 66 8.018 9.984 7.774 1.00 0.00 O ATOM 970 CB ARG A 66 9.134 13.029 6.798 1.00 0.00 C ATOM 971 CG ARG A 66 9.046 13.860 5.529 1.00 0.00 C ATOM 972 CD ARG A 66 10.088 14.967 5.515 1.00 0.00 C ATOM 973 NE ARG A 66 11.411 14.469 5.147 1.00 0.00 N ATOM 974 CZ ARG A 66 12.468 15.254 4.970 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.358 16.566 5.126 1.00 0.00 N ATOM 976 NH2 ARG A 66 13.639 14.726 4.636 1.00 0.00 N ATOM 0 H ARG A 66 7.170 14.193 7.728 1.00 0.00 H new ATOM 0 HA ARG A 66 7.419 11.865 6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.403 13.680 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.937 12.300 6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.186 13.216 4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.050 14.295 5.446 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.784 15.742 4.812 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.137 15.432 6.500 1.00 0.00 H new ATOM 0 HE ARG A 66 11.530 13.464 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.460 16.976 5.383 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.172 17.166 4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.728 13.717 4.515 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.450 15.329 4.500 1.00 0.00 H new ATOM 990 N ALA A 67 8.494 11.522 9.345 1.00 0.00 N ATOM 991 CA ALA A 67 8.797 10.536 10.375 1.00 0.00 C ATOM 992 C ALA A 67 7.752 9.426 10.396 1.00 0.00 C ATOM 993 O ALA A 67 8.088 8.244 10.473 1.00 0.00 O ATOM 994 CB ALA A 67 8.886 11.207 11.738 1.00 0.00 C ATOM 0 H ALA A 67 8.589 12.491 9.648 1.00 0.00 H new ATOM 0 HA ALA A 67 9.762 10.086 10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.113 10.459 12.498 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.675 11.959 11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.934 11.684 11.971 1.00 0.00 H new ATOM 1000 N LYS A 68 6.483 9.813 10.329 1.00 0.00 N ATOM 1001 CA LYS A 68 5.387 8.852 10.341 1.00 0.00 C ATOM 1002 C LYS A 68 5.425 7.969 9.098 1.00 0.00 C ATOM 1003 O LYS A 68 5.248 6.753 9.183 1.00 0.00 O ATOM 1004 CB LYS A 68 4.043 9.579 10.422 1.00 0.00 C ATOM 1005 CG LYS A 68 3.566 9.820 11.843 1.00 0.00 C ATOM 1006 CD LYS A 68 4.483 10.777 12.585 1.00 0.00 C ATOM 1007 CE LYS A 68 5.600 10.035 13.304 1.00 0.00 C ATOM 1008 NZ LYS A 68 6.293 10.903 14.296 1.00 0.00 N ATOM 0 H LYS A 68 6.188 10.787 10.266 1.00 0.00 H new ATOM 0 HA LYS A 68 5.503 8.218 11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.126 10.537 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.292 8.996 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.554 10.225 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.519 8.871 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.913 11.490 11.881 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.903 11.352 13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.189 9.162 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.322 9.670 12.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.047 10.361 14.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.707 11.724 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.609 11.231 15.008 1.00 0.00 H new ATOM 1022 N CYS A 69 5.659 8.587 7.946 1.00 0.00 N ATOM 1023 CA CYS A 69 5.721 7.857 6.684 1.00 0.00 C ATOM 1024 C CYS A 69 6.692 6.685 6.782 1.00 0.00 C ATOM 1025 O CYS A 69 6.382 5.569 6.363 1.00 0.00 O ATOM 1026 CB CYS A 69 6.143 8.791 5.550 1.00 0.00 C ATOM 1027 SG CYS A 69 4.865 9.969 5.050 1.00 0.00 S ATOM 0 H CYS A 69 5.809 9.592 7.859 1.00 0.00 H new ATOM 0 HA CYS A 69 4.727 7.465 6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.030 9.343 5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.427 8.191 4.686 1.00 0.00 H new ATOM 0 HG CYS A 69 4.683 10.840 5.998 1.00 0.00 H new ATOM 1033 N THR A 70 7.872 6.946 7.338 1.00 0.00 N ATOM 1034 CA THR A 70 8.890 5.914 7.488 1.00 0.00 C ATOM 1035 C THR A 70 8.436 4.830 8.458 1.00 0.00 C ATOM 1036 O THR A 70 8.590 3.639 8.188 1.00 0.00 O ATOM 1037 CB THR A 70 10.222 6.508 7.986 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.714 7.466 7.043 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.258 5.414 8.193 1.00 0.00 C ATOM 0 H THR A 70 8.145 7.863 7.691 1.00 0.00 H new ATOM 0 HA THR A 70 9.042 5.474 6.502 1.00 0.00 H new ATOM 0 HB THR A 70 10.041 7.000 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.560 7.840 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.190 5.857 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.893 4.702 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.435 4.897 7.250 1.00 0.00 H new ATOM 1047 N GLU A 71 7.875 5.250 9.588 1.00 0.00 N ATOM 1048 CA GLU A 71 7.398 4.313 10.598 1.00 0.00 C ATOM 1049 C GLU A 71 6.339 3.380 10.018 1.00 0.00 C ATOM 1050 O GLU A 71 6.481 2.158 10.062 1.00 0.00 O ATOM 1051 CB GLU A 71 6.824 5.070 11.797 1.00 0.00 C ATOM 1052 CG GLU A 71 6.341 4.161 12.916 1.00 0.00 C ATOM 1053 CD GLU A 71 7.326 3.054 13.234 1.00 0.00 C ATOM 1054 OE1 GLU A 71 8.432 3.366 13.725 1.00 0.00 O ATOM 1055 OE2 GLU A 71 6.993 1.875 12.993 1.00 0.00 O ATOM 0 H GLU A 71 7.740 6.232 9.827 1.00 0.00 H new ATOM 0 HA GLU A 71 8.245 3.712 10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.586 5.743 12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.994 5.691 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.167 4.756 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.384 3.721 12.634 1.00 0.00 H new ATOM 1062 N TYR A 72 5.277 3.965 9.474 1.00 0.00 N ATOM 1063 CA TYR A 72 4.193 3.187 8.888 1.00 0.00 C ATOM 1064 C TYR A 72 4.700 2.326 7.735 1.00 0.00 C ATOM 1065 O TYR A 72 4.247 1.198 7.540 1.00 0.00 O ATOM 1066 CB TYR A 72 3.080 4.114 8.395 1.00 0.00 C ATOM 1067 CG TYR A 72 2.474 4.966 9.487 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.146 4.418 10.721 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.227 6.318 9.285 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.591 5.192 11.722 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.674 7.100 10.281 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.357 6.532 11.497 1.00 0.00 C ATOM 1073 OH TYR A 72 0.805 7.307 12.491 1.00 0.00 O ATOM 0 H TYR A 72 5.144 4.975 9.427 1.00 0.00 H new ATOM 0 HA TYR A 72 3.794 2.529 9.660 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.479 4.765 7.617 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.295 3.513 7.936 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.328 3.369 10.901 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.471 6.766 8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.342 4.750 12.675 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.491 8.150 10.108 1.00 0.00 H new ATOM 0 HH TYR A 72 0.707 8.228 12.171 1.00 0.00 H new ATOM 1083 N LEU A 73 5.645 2.867 6.974 1.00 0.00 N ATOM 1084 CA LEU A 73 6.217 2.150 5.839 1.00 0.00 C ATOM 1085 C LEU A 73 6.915 0.873 6.298 1.00 0.00 C ATOM 1086 O LEU A 73 6.566 -0.226 5.866 1.00 0.00 O ATOM 1087 CB LEU A 73 7.207 3.045 5.092 1.00 0.00 C ATOM 1088 CG LEU A 73 6.600 4.022 4.084 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.595 5.120 3.740 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.158 3.287 2.827 1.00 0.00 C ATOM 0 H LEU A 73 6.031 3.799 7.122 1.00 0.00 H new ATOM 0 HA LEU A 73 5.404 1.877 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.774 3.617 5.826 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.918 2.407 4.567 1.00 0.00 H new ATOM 0 HG LEU A 73 5.723 4.483 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.146 5.806 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.862 5.666 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.491 4.676 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.729 3.998 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.018 2.797 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.410 2.538 3.087 1.00 0.00 H new ATOM 1102 N ASP A 74 7.900 1.026 7.176 1.00 0.00 N ATOM 1103 CA ASP A 74 8.644 -0.115 7.696 1.00 0.00 C ATOM 1104 C ASP A 74 7.696 -1.196 8.206 1.00 0.00 C ATOM 1105 O ASP A 74 7.932 -2.387 8.006 1.00 0.00 O ATOM 1106 CB ASP A 74 9.581 0.330 8.820 1.00 0.00 C ATOM 1107 CG ASP A 74 10.773 -0.593 8.979 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.732 -0.467 8.189 1.00 0.00 O ATOM 1109 OD2 ASP A 74 10.748 -1.441 9.896 1.00 0.00 O ATOM 0 H ASP A 74 8.202 1.929 7.542 1.00 0.00 H new ATOM 0 HA ASP A 74 9.237 -0.532 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 74 9.933 1.341 8.617 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.027 0.368 9.758 1.00 0.00 H new ATOM 1114 N ARG A 75 6.623 -0.771 8.866 1.00 0.00 N ATOM 1115 CA ARG A 75 5.640 -1.703 9.406 1.00 0.00 C ATOM 1116 C ARG A 75 4.958 -2.483 8.286 1.00 0.00 C ATOM 1117 O ARG A 75 4.952 -3.714 8.288 1.00 0.00 O ATOM 1118 CB ARG A 75 4.593 -0.952 10.230 1.00 0.00 C ATOM 1119 CG ARG A 75 3.470 -1.839 10.742 1.00 0.00 C ATOM 1120 CD ARG A 75 3.997 -2.933 11.658 1.00 0.00 C ATOM 1121 NE ARG A 75 2.993 -3.367 12.625 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.252 -4.197 13.630 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.475 -4.679 13.797 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.285 -4.546 14.469 1.00 0.00 N ATOM 0 H ARG A 75 6.413 0.212 9.039 1.00 0.00 H new ATOM 0 HA ARG A 75 6.162 -2.409 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.084 -0.476 11.079 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.166 -0.155 9.621 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.742 -1.232 11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.948 -2.290 9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.315 -3.786 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.877 -2.569 12.188 1.00 0.00 H new ATOM 0 HE ARG A 75 2.041 -3.014 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.220 -4.413 13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.671 -5.316 14.569 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.342 -4.177 14.343 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.484 -5.183 15.240 1.00 0.00 H new ATOM 1138 N ALA A 76 4.383 -1.759 7.332 1.00 0.00 N ATOM 1139 CA ALA A 76 3.699 -2.382 6.206 1.00 0.00 C ATOM 1140 C ALA A 76 4.594 -3.410 5.521 1.00 0.00 C ATOM 1141 O ALA A 76 4.149 -4.506 5.184 1.00 0.00 O ATOM 1142 CB ALA A 76 3.248 -1.324 5.210 1.00 0.00 C ATOM 0 H ALA A 76 4.377 -0.739 7.316 1.00 0.00 H new ATOM 0 HA ALA A 76 2.820 -2.901 6.589 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.739 -1.804 4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.565 -0.630 5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.116 -0.779 4.840 1.00 0.00 H new ATOM 1148 N GLU A 77 5.856 -3.046 5.319 1.00 0.00 N ATOM 1149 CA GLU A 77 6.812 -3.937 4.672 1.00 0.00 C ATOM 1150 C GLU A 77 6.695 -5.355 5.224 1.00 0.00 C ATOM 1151 O GLU A 77 6.555 -6.318 4.470 1.00 0.00 O ATOM 1152 CB GLU A 77 8.239 -3.419 4.867 1.00 0.00 C ATOM 1153 CG GLU A 77 8.568 -2.205 4.015 1.00 0.00 C ATOM 1154 CD GLU A 77 10.047 -1.873 4.019 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.490 -1.151 4.937 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.762 -2.333 3.105 1.00 0.00 O ATOM 0 H GLU A 77 6.240 -2.142 5.593 1.00 0.00 H new ATOM 0 HA GLU A 77 6.583 -3.960 3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.384 -3.165 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.942 -4.218 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.243 -2.386 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.006 -1.346 4.381 1.00 0.00 H new ATOM 1163 N LYS A 78 6.752 -5.475 6.546 1.00 0.00 N ATOM 1164 CA LYS A 78 6.651 -6.774 7.202 1.00 0.00 C ATOM 1165 C LYS A 78 5.335 -7.460 6.851 1.00 0.00 C ATOM 1166 O LYS A 78 5.325 -8.582 6.342 1.00 0.00 O ATOM 1167 CB LYS A 78 6.765 -6.612 8.719 1.00 0.00 C ATOM 1168 CG LYS A 78 8.115 -6.085 9.175 1.00 0.00 C ATOM 1169 CD LYS A 78 9.118 -7.211 9.364 1.00 0.00 C ATOM 1170 CE LYS A 78 10.452 -6.688 9.877 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.473 -7.769 9.966 1.00 0.00 N ATOM 0 H LYS A 78 6.868 -4.688 7.185 1.00 0.00 H new ATOM 0 HA LYS A 78 7.471 -7.397 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.984 -5.933 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.581 -7.576 9.194 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.497 -5.376 8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.997 -5.541 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.718 -7.942 10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.269 -7.729 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.813 -5.901 9.215 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.312 -6.238 10.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.368 -7.373 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.140 -8.508 10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.625 -8.181 9.023 1.00 0.00 H new ATOM 1185 N LEU A 79 4.227 -6.780 7.123 1.00 0.00 N ATOM 1186 CA LEU A 79 2.905 -7.324 6.835 1.00 0.00 C ATOM 1187 C LEU A 79 2.928 -8.164 5.562 1.00 0.00 C ATOM 1188 O LEU A 79 2.275 -9.205 5.480 1.00 0.00 O ATOM 1189 CB LEU A 79 1.886 -6.191 6.693 1.00 0.00 C ATOM 1190 CG LEU A 79 1.396 -5.563 7.998 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.264 -4.584 7.727 1.00 0.00 C ATOM 1192 CD2 LEU A 79 0.948 -6.641 8.974 1.00 0.00 C ATOM 0 H LEU A 79 4.218 -5.850 7.543 1.00 0.00 H new ATOM 0 HA LEU A 79 2.613 -7.965 7.667 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.328 -5.406 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.022 -6.572 6.149 1.00 0.00 H new ATOM 0 HG LEU A 79 2.224 -5.015 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.072 -4.147 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.617 -3.793 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.566 -5.109 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.603 -6.175 9.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.135 -7.217 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.785 -7.304 9.193 1.00 0.00 H new ATOM 1204 N LYS A 80 3.686 -7.707 4.571 1.00 0.00 N ATOM 1205 CA LYS A 80 3.798 -8.418 3.303 1.00 0.00 C ATOM 1206 C LYS A 80 4.467 -9.775 3.497 1.00 0.00 C ATOM 1207 O LYS A 80 3.858 -10.817 3.257 1.00 0.00 O ATOM 1208 CB LYS A 80 4.594 -7.584 2.296 1.00 0.00 C ATOM 1209 CG LYS A 80 4.039 -6.185 2.091 1.00 0.00 C ATOM 1210 CD LYS A 80 4.983 -5.327 1.266 1.00 0.00 C ATOM 1211 CE LYS A 80 4.388 -3.954 0.988 1.00 0.00 C ATOM 1212 NZ LYS A 80 4.513 -3.048 2.163 1.00 0.00 N ATOM 0 H LYS A 80 4.232 -6.847 4.622 1.00 0.00 H new ATOM 0 HA LYS A 80 2.792 -8.581 2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.627 -7.510 2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.609 -8.104 1.338 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.071 -6.246 1.593 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.870 -5.714 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.930 -5.214 1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.202 -5.828 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.890 -3.507 0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.336 -4.061 0.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.912 -2.211 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.211 -3.550 3.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.504 -2.749 2.267 1.00 0.00 H new ATOM 1226 N GLU A 81 5.723 -9.754 3.933 1.00 0.00 N ATOM 1227 CA GLU A 81 6.473 -10.984 4.160 1.00 0.00 C ATOM 1228 C GLU A 81 5.663 -11.968 4.999 1.00 0.00 C ATOM 1229 O GLU A 81 5.936 -13.169 5.003 1.00 0.00 O ATOM 1230 CB GLU A 81 7.801 -10.677 4.854 1.00 0.00 C ATOM 1231 CG GLU A 81 7.709 -10.675 6.371 1.00 0.00 C ATOM 1232 CD GLU A 81 9.065 -10.551 7.038 1.00 0.00 C ATOM 1233 OE1 GLU A 81 9.688 -9.475 6.916 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.502 -11.527 7.681 1.00 0.00 O ATOM 0 H GLU A 81 6.242 -8.900 4.136 1.00 0.00 H new ATOM 0 HA GLU A 81 6.675 -11.440 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.542 -11.414 4.544 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.160 -9.704 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.074 -9.849 6.692 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.228 -11.595 6.703 1.00 0.00 H new ATOM 1241 N TYR A 82 4.666 -11.451 5.708 1.00 0.00 N ATOM 1242 CA TYR A 82 3.818 -12.283 6.554 1.00 0.00 C ATOM 1243 C TYR A 82 2.608 -12.793 5.778 1.00 0.00 C ATOM 1244 O TYR A 82 2.094 -13.879 6.048 1.00 0.00 O ATOM 1245 CB TYR A 82 3.357 -11.496 7.781 1.00 0.00 C ATOM 1246 CG TYR A 82 2.041 -11.977 8.350 1.00 0.00 C ATOM 1247 CD1 TYR A 82 0.836 -11.643 7.744 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.003 -12.766 9.493 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -0.368 -12.080 8.260 1.00 0.00 C ATOM 1250 CE2 TYR A 82 0.803 -13.209 10.015 1.00 0.00 C ATOM 1251 CZ TYR A 82 -0.380 -12.863 9.396 1.00 0.00 C ATOM 1252 OH TYR A 82 -1.577 -13.301 9.913 1.00 0.00 O ATOM 0 H TYR A 82 4.425 -10.460 5.714 1.00 0.00 H new ATOM 0 HA TYR A 82 4.405 -13.141 6.881 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.123 -11.562 8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.264 -10.443 7.513 1.00 0.00 H new ATOM 0 HD1 TYR A 82 0.841 -11.031 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.927 -13.038 9.982 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.295 -11.810 7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 82 0.791 -13.823 10.903 1.00 0.00 H new ATOM 0 HH TYR A 82 -1.410 -13.842 10.713 1.00 0.00 H new ATOM 1262 N LEU A 83 2.156 -12.000 4.812 1.00 0.00 N ATOM 1263 CA LEU A 83 1.006 -12.370 3.994 1.00 0.00 C ATOM 1264 C LEU A 83 1.386 -13.432 2.967 1.00 0.00 C ATOM 1265 O LEU A 83 0.545 -14.217 2.530 1.00 0.00 O ATOM 1266 CB LEU A 83 0.443 -11.137 3.284 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.345 -10.161 4.159 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.511 -8.825 3.451 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.702 -10.746 4.522 1.00 0.00 C ATOM 0 H LEU A 83 2.568 -11.097 4.576 1.00 0.00 H new ATOM 0 HA LEU A 83 0.242 -12.784 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.271 -10.596 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.205 -11.473 2.474 1.00 0.00 H new ATOM 0 HG LEU A 83 0.215 -9.995 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.074 -8.143 4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.471 -8.400 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.049 -8.974 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.249 -10.038 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.269 -10.942 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.562 -11.678 5.070 1.00 0.00 H new ATOM 1281 N LYS A 84 2.660 -13.452 2.588 1.00 0.00 N ATOM 1282 CA LYS A 84 3.154 -14.420 1.616 1.00 0.00 C ATOM 1283 C LYS A 84 3.405 -15.772 2.274 1.00 0.00 C ATOM 1284 O LYS A 84 2.835 -16.785 1.871 1.00 0.00 O ATOM 1285 CB LYS A 84 4.442 -13.909 0.967 1.00 0.00 C ATOM 1286 CG LYS A 84 4.416 -12.424 0.649 1.00 0.00 C ATOM 1287 CD LYS A 84 5.805 -11.813 0.724 1.00 0.00 C ATOM 1288 CE LYS A 84 6.512 -11.870 -0.621 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.171 -13.186 -0.846 1.00 0.00 N ATOM 0 H LYS A 84 3.369 -12.808 2.940 1.00 0.00 H new ATOM 0 HA LYS A 84 2.392 -14.547 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.280 -14.115 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.621 -14.466 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.004 -12.272 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.754 -11.913 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.730 -10.777 1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.397 -12.343 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.792 -11.683 -1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.258 -11.077 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.109 -13.037 -1.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.276 -13.681 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.589 -13.761 -1.488 1.00 0.00 H new ATOM 1303 N ASN A 85 4.262 -15.781 3.291 1.00 0.00 N ATOM 1304 CA ASN A 85 4.588 -17.009 4.006 1.00 0.00 C ATOM 1305 C ASN A 85 3.326 -17.812 4.312 1.00 0.00 C ATOM 1306 O ASN A 85 3.349 -19.042 4.330 1.00 0.00 O ATOM 1307 CB ASN A 85 5.328 -16.687 5.305 1.00 0.00 C ATOM 1308 CG ASN A 85 6.832 -16.636 5.117 1.00 0.00 C ATOM 1309 OD1 ASN A 85 7.326 -16.573 3.991 1.00 0.00 O ATOM 1310 ND2 ASN A 85 7.568 -16.665 6.222 1.00 0.00 N ATOM 0 H ASN A 85 4.743 -14.951 3.638 1.00 0.00 H new ATOM 0 HA ASN A 85 5.235 -17.611 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.980 -15.728 5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.084 -17.439 6.055 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.586 -16.635 6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.116 -16.717 7.135 1.00 0.00 H new ATOM 1317 N LYS A 86 2.226 -17.106 4.551 1.00 0.00 N ATOM 1318 CA LYS A 86 0.954 -17.750 4.854 1.00 0.00 C ATOM 1319 C LYS A 86 0.440 -18.533 3.650 1.00 0.00 C ATOM 1320 O LYS A 86 0.434 -19.763 3.655 1.00 0.00 O ATOM 1321 CB LYS A 86 -0.082 -16.706 5.278 1.00 0.00 C ATOM 1322 CG LYS A 86 -1.288 -17.299 5.986 1.00 0.00 C ATOM 1323 CD LYS A 86 -2.133 -16.221 6.645 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.661 -15.932 8.062 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.253 -15.450 8.090 1.00 0.00 N ATOM 0 H LYS A 86 2.190 -16.087 4.541 1.00 0.00 H new ATOM 0 HA LYS A 86 1.115 -18.447 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.395 -15.980 5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.420 -16.163 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.896 -17.852 5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.954 -18.013 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.087 -15.308 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.176 -16.536 6.665 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.310 -15.183 8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.747 -16.836 8.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.121 -14.812 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.390 -16.262 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.044 -14.939 7.209 1.00 0.00 H new ATOM 1339 N GLU A 87 0.010 -17.810 2.620 1.00 0.00 N ATOM 1340 CA GLU A 87 -0.505 -18.438 1.409 1.00 0.00 C ATOM 1341 C GLU A 87 0.636 -18.859 0.487 1.00 0.00 C ATOM 1342 O GLU A 87 0.543 -18.729 -0.734 1.00 0.00 O ATOM 1343 CB GLU A 87 -1.445 -17.481 0.672 1.00 0.00 C ATOM 1344 CG GLU A 87 -2.541 -18.186 -0.109 1.00 0.00 C ATOM 1345 CD GLU A 87 -3.400 -17.225 -0.907 1.00 0.00 C ATOM 1346 OE1 GLU A 87 -2.890 -16.150 -1.289 1.00 0.00 O ATOM 1347 OE2 GLU A 87 -4.582 -17.547 -1.150 1.00 0.00 O ATOM 0 H GLU A 87 0.008 -16.790 2.600 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.061 -19.329 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.903 -16.806 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.860 -16.866 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.090 -18.912 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.173 -18.744 0.582 1.00 0.00 H new ATOM 1354 N LYS A 88 1.712 -19.364 1.080 1.00 0.00 N ATOM 1355 CA LYS A 88 2.872 -19.805 0.314 1.00 0.00 C ATOM 1356 C LYS A 88 2.805 -21.304 0.040 1.00 0.00 C ATOM 1357 O LYS A 88 2.565 -22.102 0.948 1.00 0.00 O ATOM 1358 CB LYS A 88 4.162 -19.470 1.065 1.00 0.00 C ATOM 1359 CG LYS A 88 5.392 -20.162 0.501 1.00 0.00 C ATOM 1360 CD LYS A 88 6.646 -19.332 0.716 1.00 0.00 C ATOM 1361 CE LYS A 88 7.892 -20.203 0.747 1.00 0.00 C ATOM 1362 NZ LYS A 88 9.128 -19.396 0.945 1.00 0.00 N ATOM 0 H LYS A 88 1.805 -19.478 2.089 1.00 0.00 H new ATOM 0 HA LYS A 88 2.868 -19.279 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.318 -18.392 1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.046 -19.750 2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.513 -21.135 0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.252 -20.343 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.736 -18.594 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.563 -18.781 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.804 -20.935 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.968 -20.761 -0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.955 -20.026 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.226 -18.715 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.067 -18.883 1.848 1.00 0.00 H new ATOM 1376 N LYS A 89 3.019 -21.682 -1.215 1.00 0.00 N ATOM 1377 CA LYS A 89 2.986 -23.086 -1.609 1.00 0.00 C ATOM 1378 C LYS A 89 4.375 -23.709 -1.520 1.00 0.00 C ATOM 1379 O LYS A 89 5.167 -23.619 -2.458 1.00 0.00 O ATOM 1380 CB LYS A 89 2.443 -23.225 -3.033 1.00 0.00 C ATOM 1381 CG LYS A 89 1.773 -24.561 -3.301 1.00 0.00 C ATOM 1382 CD LYS A 89 0.445 -24.675 -2.572 1.00 0.00 C ATOM 1383 CE LYS A 89 -0.703 -24.147 -3.420 1.00 0.00 C ATOM 1384 NZ LYS A 89 -1.031 -25.067 -4.544 1.00 0.00 N ATOM 0 H LYS A 89 3.217 -21.035 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 89 2.325 -23.615 -0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.726 -22.425 -3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.262 -23.090 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.612 -24.680 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.433 -25.370 -2.986 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.259 -25.717 -2.314 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.493 -24.119 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.584 -24.010 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.440 -23.167 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.967 -24.826 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.314 -24.971 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.041 -26.048 -4.198 1.00 0.00 H new ATOM 1398 N ALA A 90 4.664 -24.341 -0.387 1.00 0.00 N ATOM 1399 CA ALA A 90 5.956 -24.982 -0.178 1.00 0.00 C ATOM 1400 C ALA A 90 5.787 -26.454 0.181 1.00 0.00 C ATOM 1401 O ALA A 90 6.217 -27.337 -0.561 1.00 0.00 O ATOM 1402 CB ALA A 90 6.735 -24.257 0.909 1.00 0.00 C ATOM 0 H ALA A 90 4.020 -24.423 0.400 1.00 0.00 H new ATOM 0 HA ALA A 90 6.517 -24.925 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.698 -24.747 1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.896 -23.221 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.170 -24.283 1.841 1.00 0.00 H new ATOM 1408 N GLN A 91 5.159 -26.711 1.324 1.00 0.00 N ATOM 1409 CA GLN A 91 4.935 -28.077 1.782 1.00 0.00 C ATOM 1410 C GLN A 91 3.451 -28.334 2.025 1.00 0.00 C ATOM 1411 O GLN A 91 2.639 -27.409 2.003 1.00 0.00 O ATOM 1412 CB GLN A 91 5.727 -28.345 3.063 1.00 0.00 C ATOM 1413 CG GLN A 91 7.158 -28.794 2.811 1.00 0.00 C ATOM 1414 CD GLN A 91 7.239 -30.210 2.277 1.00 0.00 C ATOM 1415 OE1 GLN A 91 6.738 -31.149 2.895 1.00 0.00 O ATOM 1416 NE2 GLN A 91 7.873 -30.371 1.121 1.00 0.00 N ATOM 0 H GLN A 91 4.797 -25.991 1.950 1.00 0.00 H new ATOM 0 HA GLN A 91 5.280 -28.755 1.001 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.741 -27.439 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.212 -29.109 3.645 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.628 -28.114 2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.725 -28.727 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.274 -29.564 0.642 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.959 -31.301 0.712 1.00 0.00 H new ATOM 1425 N LYS A 92 3.104 -29.595 2.255 1.00 0.00 N ATOM 1426 CA LYS A 92 1.718 -29.975 2.503 1.00 0.00 C ATOM 1427 C LYS A 92 1.165 -29.248 3.724 1.00 0.00 C ATOM 1428 O LYS A 92 1.874 -28.992 4.698 1.00 0.00 O ATOM 1429 CB LYS A 92 1.611 -31.488 2.706 1.00 0.00 C ATOM 1430 CG LYS A 92 1.765 -32.286 1.422 1.00 0.00 C ATOM 1431 CD LYS A 92 0.498 -32.243 0.584 1.00 0.00 C ATOM 1432 CE LYS A 92 0.482 -33.351 -0.458 1.00 0.00 C ATOM 1433 NZ LYS A 92 1.534 -33.154 -1.494 1.00 0.00 N ATOM 0 H LYS A 92 3.764 -30.372 2.275 1.00 0.00 H new ATOM 0 HA LYS A 92 1.128 -29.688 1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.375 -31.806 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.644 -31.719 3.154 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.599 -31.889 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.008 -33.321 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.372 -32.340 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.420 -31.275 0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.631 -34.313 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.497 -33.385 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.490 -33.930 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.377 -32.248 -1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.470 -33.147 -1.041 1.00 0.00 H new ATOM 1447 N PRO A 93 -0.131 -28.907 3.674 1.00 0.00 N ATOM 1448 CA PRO A 93 -0.808 -28.206 4.770 1.00 0.00 C ATOM 1449 C PRO A 93 -0.987 -29.089 6.000 1.00 0.00 C ATOM 1450 O PRO A 93 -1.162 -30.302 5.886 1.00 0.00 O ATOM 1451 CB PRO A 93 -2.169 -27.843 4.170 1.00 0.00 C ATOM 1452 CG PRO A 93 -2.395 -28.855 3.101 1.00 0.00 C ATOM 1453 CD PRO A 93 -1.036 -29.180 2.545 1.00 0.00 C ATOM 0 HA PRO A 93 -0.237 -27.346 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.956 -27.880 4.923 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.165 -26.832 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.876 -29.747 3.503 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.051 -28.462 2.324 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.972 -30.219 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.797 -28.561 1.680 1.00 0.00 H new ATOM 1461 N VAL A 94 -0.942 -28.472 7.177 1.00 0.00 N ATOM 1462 CA VAL A 94 -1.101 -29.202 8.429 1.00 0.00 C ATOM 1463 C VAL A 94 -2.293 -28.679 9.223 1.00 0.00 C ATOM 1464 O VAL A 94 -2.143 -27.834 10.105 1.00 0.00 O ATOM 1465 CB VAL A 94 0.166 -29.103 9.300 1.00 0.00 C ATOM 1466 CG1 VAL A 94 -0.040 -29.823 10.624 1.00 0.00 C ATOM 1467 CG2 VAL A 94 1.368 -29.667 8.558 1.00 0.00 C ATOM 0 H VAL A 94 -0.797 -27.469 7.289 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.273 -30.246 8.168 1.00 0.00 H new ATOM 0 HB VAL A 94 0.360 -28.051 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.865 -29.743 11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.874 -29.369 11.159 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.259 -30.874 10.436 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.254 -29.589 9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.187 -30.714 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.526 -29.103 7.639 1.00 0.00 H new ATOM 1477 N LYS A 95 -3.478 -29.188 8.904 1.00 0.00 N ATOM 1478 CA LYS A 95 -4.698 -28.775 9.588 1.00 0.00 C ATOM 1479 C LYS A 95 -5.831 -29.760 9.321 1.00 0.00 C ATOM 1480 O LYS A 95 -5.719 -30.629 8.457 1.00 0.00 O ATOM 1481 CB LYS A 95 -5.110 -27.372 9.136 1.00 0.00 C ATOM 1482 CG LYS A 95 -5.491 -27.293 7.668 1.00 0.00 C ATOM 1483 CD LYS A 95 -6.974 -27.552 7.462 1.00 0.00 C ATOM 1484 CE LYS A 95 -7.461 -26.978 6.140 1.00 0.00 C ATOM 1485 NZ LYS A 95 -8.789 -27.530 5.752 1.00 0.00 N ATOM 0 H LYS A 95 -3.620 -29.888 8.176 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.498 -28.761 10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.954 -27.038 9.740 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -4.288 -26.682 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.235 -26.308 7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.911 -28.021 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -7.164 -28.625 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.539 -27.110 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.527 -25.893 6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.734 -27.198 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.055 -27.167 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -8.737 -28.568 5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.503 -27.241 6.451 1.00 0.00 H new ATOM 1499 N GLU A 96 -6.922 -29.617 10.067 1.00 0.00 N ATOM 1500 CA GLU A 96 -8.075 -30.495 9.910 1.00 0.00 C ATOM 1501 C GLU A 96 -9.269 -29.729 9.347 1.00 0.00 C ATOM 1502 O GLU A 96 -9.738 -28.762 9.946 1.00 0.00 O ATOM 1503 CB GLU A 96 -8.449 -31.129 11.251 1.00 0.00 C ATOM 1504 CG GLU A 96 -9.350 -32.345 11.119 1.00 0.00 C ATOM 1505 CD GLU A 96 -8.575 -33.618 10.836 1.00 0.00 C ATOM 1506 OE1 GLU A 96 -7.443 -33.748 11.347 1.00 0.00 O ATOM 1507 OE2 GLU A 96 -9.099 -34.482 10.103 1.00 0.00 O ATOM 0 H GLU A 96 -7.031 -28.902 10.786 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.806 -31.283 9.207 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.537 -31.418 11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.948 -30.383 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -9.923 -32.470 12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -10.068 -32.175 10.317 1.00 0.00 H new ATOM 1514 N GLY A 97 -9.755 -30.168 8.190 1.00 0.00 N ATOM 1515 CA GLY A 97 -10.888 -29.513 7.564 1.00 0.00 C ATOM 1516 C GLY A 97 -11.026 -29.867 6.097 1.00 0.00 C ATOM 1517 O GLY A 97 -10.670 -30.970 5.683 1.00 0.00 O ATOM 0 H GLY A 97 -9.384 -30.966 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -11.801 -29.793 8.089 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.781 -28.433 7.665 1.00 0.00 H new ATOM 1521 N GLN A 98 -11.545 -28.930 5.310 1.00 0.00 N ATOM 1522 CA GLN A 98 -11.731 -29.151 3.880 1.00 0.00 C ATOM 1523 C GLN A 98 -11.722 -27.830 3.119 1.00 0.00 C ATOM 1524 O GLN A 98 -12.211 -26.806 3.599 1.00 0.00 O ATOM 1525 CB GLN A 98 -13.044 -29.893 3.624 1.00 0.00 C ATOM 1526 CG GLN A 98 -14.264 -29.183 4.190 1.00 0.00 C ATOM 1527 CD GLN A 98 -15.467 -30.097 4.309 1.00 0.00 C ATOM 1528 OE1 GLN A 98 -15.730 -30.916 3.428 1.00 0.00 O ATOM 1529 NE2 GLN A 98 -16.207 -29.962 5.404 1.00 0.00 N ATOM 0 H GLN A 98 -11.844 -28.011 5.638 1.00 0.00 H new ATOM 0 HA GLN A 98 -10.902 -29.761 3.521 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.175 -30.023 2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -12.979 -30.890 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.021 -28.778 5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.517 -28.337 3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.953 -29.270 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -17.029 -30.550 5.540 1.00 0.00 H new ATOM 1538 N PRO A 99 -11.154 -27.849 1.905 1.00 0.00 N ATOM 1539 CA PRO A 99 -11.068 -26.660 1.052 1.00 0.00 C ATOM 1540 C PRO A 99 -12.430 -26.232 0.515 1.00 0.00 C ATOM 1541 O PRO A 99 -13.456 -26.815 0.864 1.00 0.00 O ATOM 1542 CB PRO A 99 -10.159 -27.111 -0.095 1.00 0.00 C ATOM 1543 CG PRO A 99 -10.322 -28.591 -0.148 1.00 0.00 C ATOM 1544 CD PRO A 99 -10.551 -29.034 1.270 1.00 0.00 C ATOM 0 HA PRO A 99 -10.692 -25.794 1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.450 -26.647 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.121 -26.833 0.090 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.163 -28.868 -0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.435 -29.066 -0.567 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -11.214 -29.897 1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.619 -29.320 1.757 1.00 0.00 H new ATOM 1552 N SER A 100 -12.431 -25.211 -0.336 1.00 0.00 N ATOM 1553 CA SER A 100 -13.668 -24.703 -0.918 1.00 0.00 C ATOM 1554 C SER A 100 -13.373 -23.731 -2.056 1.00 0.00 C ATOM 1555 O SER A 100 -12.374 -23.011 -2.049 1.00 0.00 O ATOM 1556 CB SER A 100 -14.514 -24.011 0.152 1.00 0.00 C ATOM 1557 OG SER A 100 -13.769 -23.009 0.823 1.00 0.00 O ATOM 0 H SER A 100 -11.590 -24.720 -0.638 1.00 0.00 H new ATOM 0 HA SER A 100 -14.225 -25.549 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.396 -23.566 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.869 -24.748 0.872 1.00 0.00 H new ATOM 0 HG SER A 100 -14.333 -22.581 1.501 1.00 0.00 H new ATOM 1563 N PRO A 101 -14.263 -23.708 -3.059 1.00 0.00 N ATOM 1564 CA PRO A 101 -14.122 -22.829 -4.224 1.00 0.00 C ATOM 1565 C PRO A 101 -14.335 -21.361 -3.871 1.00 0.00 C ATOM 1566 O PRO A 101 -15.118 -21.034 -2.980 1.00 0.00 O ATOM 1567 CB PRO A 101 -15.220 -23.316 -5.172 1.00 0.00 C ATOM 1568 CG PRO A 101 -16.240 -23.938 -4.282 1.00 0.00 C ATOM 1569 CD PRO A 101 -15.477 -24.539 -3.134 1.00 0.00 C ATOM 0 HA PRO A 101 -13.120 -22.876 -4.651 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -15.644 -22.491 -5.744 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.831 -24.036 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.955 -23.195 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.809 -24.700 -4.814 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -16.049 -24.500 -2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -15.236 -25.586 -3.316 1.00 0.00 H new ATOM 1577 N ALA A 102 -13.632 -20.480 -4.576 1.00 0.00 N ATOM 1578 CA ALA A 102 -13.747 -19.046 -4.338 1.00 0.00 C ATOM 1579 C ALA A 102 -14.647 -18.388 -5.378 1.00 0.00 C ATOM 1580 O ALA A 102 -14.523 -18.649 -6.575 1.00 0.00 O ATOM 1581 CB ALA A 102 -12.370 -18.399 -4.343 1.00 0.00 C ATOM 0 H ALA A 102 -12.977 -20.734 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.202 -18.900 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.470 -17.328 -4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.757 -18.842 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.895 -18.562 -5.310 1.00 0.00 H new ATOM 1587 N ASP A 103 -15.553 -17.534 -4.914 1.00 0.00 N ATOM 1588 CA ASP A 103 -16.474 -16.837 -5.805 1.00 0.00 C ATOM 1589 C ASP A 103 -15.789 -16.475 -7.119 1.00 0.00 C ATOM 1590 O ASP A 103 -14.621 -16.089 -7.136 1.00 0.00 O ATOM 1591 CB ASP A 103 -17.011 -15.574 -5.131 1.00 0.00 C ATOM 1592 CG ASP A 103 -17.515 -14.553 -6.132 1.00 0.00 C ATOM 1593 OD1 ASP A 103 -18.634 -14.736 -6.655 1.00 0.00 O ATOM 1594 OD2 ASP A 103 -16.789 -13.570 -6.392 1.00 0.00 O ATOM 0 H ASP A 103 -15.669 -17.308 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.307 -17.506 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -17.821 -15.844 -4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -16.223 -15.126 -4.525 1.00 0.00 H new ATOM 1599 N GLU A 104 -16.525 -16.604 -8.219 1.00 0.00 N ATOM 1600 CA GLU A 104 -15.988 -16.292 -9.538 1.00 0.00 C ATOM 1601 C GLU A 104 -17.044 -15.621 -10.411 1.00 0.00 C ATOM 1602 O GLU A 104 -18.139 -16.151 -10.600 1.00 0.00 O ATOM 1603 CB GLU A 104 -15.479 -17.564 -10.220 1.00 0.00 C ATOM 1604 CG GLU A 104 -14.097 -17.992 -9.757 1.00 0.00 C ATOM 1605 CD GLU A 104 -12.986 -17.248 -10.472 1.00 0.00 C ATOM 1606 OE1 GLU A 104 -13.095 -16.013 -10.618 1.00 0.00 O ATOM 1607 OE2 GLU A 104 -12.006 -17.903 -10.887 1.00 0.00 O ATOM 0 H GLU A 104 -17.494 -16.922 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 104 -15.156 -15.600 -9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -16.183 -18.374 -10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -15.458 -17.405 -11.298 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -14.009 -17.824 -8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -13.978 -19.063 -9.923 1.00 0.00 H new ATOM 1614 N LYS A 105 -16.707 -14.450 -10.942 1.00 0.00 N ATOM 1615 CA LYS A 105 -17.625 -13.705 -11.797 1.00 0.00 C ATOM 1616 C LYS A 105 -17.002 -13.442 -13.164 1.00 0.00 C ATOM 1617 O LYS A 105 -15.811 -13.154 -13.269 1.00 0.00 O ATOM 1618 CB LYS A 105 -18.007 -12.379 -11.135 1.00 0.00 C ATOM 1619 CG LYS A 105 -18.898 -11.503 -11.998 1.00 0.00 C ATOM 1620 CD LYS A 105 -20.369 -11.808 -11.769 1.00 0.00 C ATOM 1621 CE LYS A 105 -21.246 -10.614 -12.116 1.00 0.00 C ATOM 1622 NZ LYS A 105 -21.356 -9.658 -10.980 1.00 0.00 N ATOM 0 H LYS A 105 -15.805 -13.996 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 105 -18.523 -14.307 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -18.517 -12.586 -10.194 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.098 -11.829 -10.891 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -18.704 -10.454 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -18.653 -11.656 -13.049 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -20.663 -12.665 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -20.526 -12.086 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -20.833 -10.100 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.240 -10.963 -12.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -21.961 -8.859 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -21.773 -10.141 -10.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -20.410 -9.305 -10.730 1.00 0.00 H new ATOM 1636 N GLY A 106 -17.817 -13.542 -14.210 1.00 0.00 N ATOM 1637 CA GLY A 106 -17.328 -13.310 -15.556 1.00 0.00 C ATOM 1638 C GLY A 106 -18.385 -13.574 -16.610 1.00 0.00 C ATOM 1639 O GLY A 106 -19.503 -13.977 -16.291 1.00 0.00 O ATOM 0 H GLY A 106 -18.807 -13.780 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -16.983 -12.279 -15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -16.466 -13.951 -15.742 1.00 0.00 H new ATOM 1643 N ASN A 107 -18.032 -13.345 -17.871 1.00 0.00 N ATOM 1644 CA ASN A 107 -18.960 -13.559 -18.976 1.00 0.00 C ATOM 1645 C ASN A 107 -18.210 -13.684 -20.299 1.00 0.00 C ATOM 1646 O ASN A 107 -17.042 -13.310 -20.400 1.00 0.00 O ATOM 1647 CB ASN A 107 -19.966 -12.409 -19.054 1.00 0.00 C ATOM 1648 CG ASN A 107 -21.020 -12.634 -20.121 1.00 0.00 C ATOM 1649 OD1 ASN A 107 -21.352 -13.773 -20.450 1.00 0.00 O ATOM 1650 ND2 ASN A 107 -21.550 -11.546 -20.667 1.00 0.00 N ATOM 0 H ASN A 107 -17.110 -13.011 -18.153 1.00 0.00 H new ATOM 0 HA ASN A 107 -19.496 -14.490 -18.793 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -20.453 -12.289 -18.086 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -19.436 -11.479 -19.261 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -22.263 -11.634 -21.391 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -21.244 -10.622 -20.363 1.00 0.00 H new ATOM 1657 N ASP A 108 -18.891 -14.213 -21.310 1.00 0.00 N ATOM 1658 CA ASP A 108 -18.291 -14.387 -22.627 1.00 0.00 C ATOM 1659 C ASP A 108 -18.872 -13.390 -23.625 1.00 0.00 C ATOM 1660 O ASP A 108 -18.137 -12.653 -24.281 1.00 0.00 O ATOM 1661 CB ASP A 108 -18.511 -15.816 -23.127 1.00 0.00 C ATOM 1662 CG ASP A 108 -19.980 -16.185 -23.195 1.00 0.00 C ATOM 1663 OD1 ASP A 108 -20.619 -16.276 -22.126 1.00 0.00 O ATOM 1664 OD2 ASP A 108 -20.491 -16.384 -24.318 1.00 0.00 O ATOM 0 H ASP A 108 -19.859 -14.529 -21.242 1.00 0.00 H new ATOM 0 HA ASP A 108 -17.220 -14.203 -22.538 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -18.066 -15.925 -24.116 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -17.994 -16.513 -22.467 1.00 0.00 H new ATOM 1669 N SER A 109 -20.197 -13.375 -23.735 1.00 0.00 N ATOM 1670 CA SER A 109 -20.877 -12.473 -24.656 1.00 0.00 C ATOM 1671 C SER A 109 -20.272 -12.565 -26.053 1.00 0.00 C ATOM 1672 O SER A 109 -20.056 -11.551 -26.717 1.00 0.00 O ATOM 1673 CB SER A 109 -20.794 -11.032 -24.147 1.00 0.00 C ATOM 1674 OG SER A 109 -21.863 -10.251 -24.652 1.00 0.00 O ATOM 0 H SER A 109 -20.820 -13.977 -23.197 1.00 0.00 H new ATOM 0 HA SER A 109 -21.924 -12.772 -24.711 1.00 0.00 H new ATOM 0 HB2 SER A 109 -20.818 -11.026 -23.057 1.00 0.00 H new ATOM 0 HB3 SER A 109 -19.844 -10.591 -24.447 1.00 0.00 H new ATOM 0 HG SER A 109 -21.788 -9.335 -24.311 1.00 0.00 H new ATOM 1680 N ASP A 110 -20.002 -13.789 -26.494 1.00 0.00 N ATOM 1681 CA ASP A 110 -19.423 -14.016 -27.813 1.00 0.00 C ATOM 1682 C ASP A 110 -19.600 -15.470 -28.241 1.00 0.00 C ATOM 1683 O ASP A 110 -19.678 -16.369 -27.405 1.00 0.00 O ATOM 1684 CB ASP A 110 -17.938 -13.650 -27.811 1.00 0.00 C ATOM 1685 CG ASP A 110 -17.350 -13.609 -29.208 1.00 0.00 C ATOM 1686 OD1 ASP A 110 -18.054 -13.155 -30.135 1.00 0.00 O ATOM 1687 OD2 ASP A 110 -16.186 -14.029 -29.374 1.00 0.00 O ATOM 0 H ASP A 110 -20.175 -14.639 -25.957 1.00 0.00 H new ATOM 0 HA ASP A 110 -19.946 -13.379 -28.527 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -17.807 -12.678 -27.336 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -17.389 -14.375 -27.210 1.00 0.00 H new ATOM 1692 N GLY A 111 -19.665 -15.692 -29.551 1.00 0.00 N ATOM 1693 CA GLY A 111 -19.835 -17.038 -30.067 1.00 0.00 C ATOM 1694 C GLY A 111 -19.512 -17.136 -31.545 1.00 0.00 C ATOM 1695 O GLY A 111 -20.322 -16.756 -32.391 1.00 0.00 O ATOM 0 H GLY A 111 -19.603 -14.964 -30.263 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -19.192 -17.721 -29.511 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -20.863 -17.361 -29.900 1.00 0.00 H new ATOM 1699 N SER A 112 -18.325 -17.646 -31.857 1.00 0.00 N ATOM 1700 CA SER A 112 -17.895 -17.788 -33.243 1.00 0.00 C ATOM 1701 C SER A 112 -19.071 -18.161 -34.141 1.00 0.00 C ATOM 1702 O SER A 112 -20.017 -18.815 -33.705 1.00 0.00 O ATOM 1703 CB SER A 112 -16.798 -18.849 -33.353 1.00 0.00 C ATOM 1704 OG SER A 112 -15.615 -18.429 -32.695 1.00 0.00 O ATOM 0 H SER A 112 -17.644 -17.968 -31.169 1.00 0.00 H new ATOM 0 HA SER A 112 -17.497 -16.829 -33.574 1.00 0.00 H new ATOM 0 HB2 SER A 112 -17.148 -19.785 -32.917 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.583 -19.047 -34.403 1.00 0.00 H new ATOM 0 HG SER A 112 -14.930 -19.125 -32.778 1.00 0.00 H new ATOM 1710 N GLY A 113 -19.003 -17.740 -35.401 1.00 0.00 N ATOM 1711 CA GLY A 113 -20.066 -18.039 -36.341 1.00 0.00 C ATOM 1712 C GLY A 113 -19.559 -18.189 -37.762 1.00 0.00 C ATOM 1713 O GLY A 113 -18.376 -18.435 -37.999 1.00 0.00 O ATOM 0 H GLY A 113 -18.230 -17.197 -35.787 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -20.566 -18.959 -36.038 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -20.811 -17.244 -36.307 1.00 0.00 H new ATOM 1717 N PRO A 114 -20.468 -18.041 -38.738 1.00 0.00 N ATOM 1718 CA PRO A 114 -20.129 -18.159 -40.159 1.00 0.00 C ATOM 1719 C PRO A 114 -19.270 -16.998 -40.648 1.00 0.00 C ATOM 1720 O PRO A 114 -19.459 -15.855 -40.233 1.00 0.00 O ATOM 1721 CB PRO A 114 -21.494 -18.143 -40.851 1.00 0.00 C ATOM 1722 CG PRO A 114 -22.388 -17.413 -39.909 1.00 0.00 C ATOM 1723 CD PRO A 114 -21.895 -17.747 -38.528 1.00 0.00 C ATOM 0 HA PRO A 114 -19.541 -19.054 -40.365 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -21.442 -17.641 -41.817 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -21.856 -19.154 -41.037 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -22.350 -16.338 -40.088 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -23.426 -17.721 -40.038 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -22.037 -16.915 -37.838 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -22.424 -18.603 -38.108 1.00 0.00 H new ATOM 1731 N SER A 115 -18.326 -17.299 -41.534 1.00 0.00 N ATOM 1732 CA SER A 115 -17.435 -16.280 -42.078 1.00 0.00 C ATOM 1733 C SER A 115 -18.229 -15.187 -42.786 1.00 0.00 C ATOM 1734 O SER A 115 -19.444 -15.293 -42.949 1.00 0.00 O ATOM 1735 CB SER A 115 -16.436 -16.912 -43.049 1.00 0.00 C ATOM 1736 OG SER A 115 -15.495 -17.718 -42.361 1.00 0.00 O ATOM 0 H SER A 115 -18.158 -18.240 -41.890 1.00 0.00 H new ATOM 0 HA SER A 115 -16.889 -15.829 -41.249 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.970 -17.517 -43.782 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.915 -16.129 -43.600 1.00 0.00 H new ATOM 0 HG SER A 115 -14.869 -18.112 -43.004 1.00 0.00 H new ATOM 1742 N SER A 116 -17.532 -14.136 -43.206 1.00 0.00 N ATOM 1743 CA SER A 116 -18.171 -13.020 -43.894 1.00 0.00 C ATOM 1744 C SER A 116 -18.051 -13.174 -45.407 1.00 0.00 C ATOM 1745 O SER A 116 -16.979 -12.978 -45.979 1.00 0.00 O ATOM 1746 CB SER A 116 -17.544 -11.695 -43.453 1.00 0.00 C ATOM 1747 OG SER A 116 -18.402 -10.605 -43.741 1.00 0.00 O ATOM 0 H SER A 116 -16.525 -14.034 -43.082 1.00 0.00 H new ATOM 0 HA SER A 116 -19.228 -13.019 -43.629 1.00 0.00 H new ATOM 0 HB2 SER A 116 -17.336 -11.726 -42.383 1.00 0.00 H new ATOM 0 HB3 SER A 116 -16.589 -11.554 -43.960 1.00 0.00 H new ATOM 0 HG SER A 116 -17.980 -9.770 -43.448 1.00 0.00 H new ATOM 1753 N GLY A 117 -19.160 -13.526 -46.050 1.00 0.00 N ATOM 1754 CA GLY A 117 -19.159 -13.701 -47.490 1.00 0.00 C ATOM 1755 C GLY A 117 -20.351 -13.043 -48.155 1.00 0.00 C ATOM 1756 O GLY A 117 -20.357 -12.834 -49.368 1.00 0.00 O ATOM 0 H GLY A 117 -20.059 -13.693 -45.599 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -18.241 -13.284 -47.903 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -19.159 -14.766 -47.723 1.00 0.00 H new TER 1760 GLY A 117