USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 48 MET CE :methyl -120:sc= -3.49! (180deg=-6.19!) USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.225 X(o=-3.7,f=-3.9) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 ASN : amide:sc= -1.19 K(o=-1.6,f=-0.76) USER MOD Set 2.3: A 93 TYR OH : rot 180:sc= -0.371 USER MOD Set 3.1: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 0.00996 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc=-0.00697 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.49) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 9 HIS : no HD1:sc= 0.46 K(o=0.46,f=-2.7!) USER MOD Single : A 10 HIS : no HD1:sc= -0.0209 X(o=-0.021,f=-0.012) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.03 USER MOD Single : A 20 HIS : no HD1:sc= 0.308 K(o=0.31,f=-1.6!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00304 X(o=-0.003,f=-0.0023) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -28:sc= -0.184 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0103) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0.134 USER MOD Single : A 69 ASN : amide:sc= 0.377 K(o=0.38,f=-0.65) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 120:sc= -1.99! USER MOD Single : A 85 GLN : amide:sc= -0.609 K(o=-0.61,f=-0.1) USER MOD Single : A 86 GLN : amide:sc= -0.533 X(o=-0.53,f=-0.036) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 97 LYS NZ :NH3+ -109:sc= -0.158 (180deg=-0.647) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.414 30.185 -28.505 1.00 0.00 N ATOM 2 CA MET A 1 -7.075 28.877 -28.752 1.00 0.00 C ATOM 3 C MET A 1 -6.177 27.716 -28.335 1.00 0.00 C ATOM 4 O MET A 1 -5.139 27.919 -27.704 1.00 0.00 O ATOM 5 CB MET A 1 -7.413 28.776 -30.241 1.00 0.00 C ATOM 6 CG MET A 1 -8.893 28.568 -30.519 1.00 0.00 C ATOM 7 SD MET A 1 -9.200 27.826 -32.134 1.00 0.00 S ATOM 8 CE MET A 1 -8.885 26.099 -31.779 1.00 0.00 C ATOM 0 H1 MET A 1 -7.138 30.916 -28.351 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.808 30.114 -27.663 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.833 30.441 -29.329 1.00 0.00 H new ATOM 0 HA MET A 1 -7.985 28.817 -28.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.083 29.686 -30.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.851 27.950 -30.677 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.318 27.930 -29.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.408 29.527 -30.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.034 25.509 -32.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.858 25.980 -31.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.571 25.756 -31.004 1.00 0.00 H new ATOM 20 N GLY A 2 -6.584 26.501 -28.691 1.00 0.00 N ATOM 21 CA GLY A 2 -5.804 25.327 -28.346 1.00 0.00 C ATOM 22 C GLY A 2 -5.098 24.727 -29.545 1.00 0.00 C ATOM 23 O GLY A 2 -5.715 24.487 -30.582 1.00 0.00 O ATOM 0 H GLY A 2 -7.440 26.309 -29.212 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.066 25.594 -27.590 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.459 24.578 -27.901 1.00 0.00 H new ATOM 27 N SER A 3 -3.797 24.486 -29.404 1.00 0.00 N ATOM 28 CA SER A 3 -3.005 23.911 -30.484 1.00 0.00 C ATOM 29 C SER A 3 -2.322 22.623 -30.034 1.00 0.00 C ATOM 30 O SER A 3 -2.062 21.733 -30.843 1.00 0.00 O ATOM 31 CB SER A 3 -1.957 24.917 -30.965 1.00 0.00 C ATOM 32 OG SER A 3 -1.201 24.392 -32.043 1.00 0.00 O ATOM 0 H SER A 3 -3.271 24.680 -28.552 1.00 0.00 H new ATOM 0 HA SER A 3 -3.678 23.674 -31.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.449 25.838 -31.277 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.291 25.175 -30.141 1.00 0.00 H new ATOM 0 HG SER A 3 -0.540 25.055 -32.332 1.00 0.00 H new ATOM 38 N SER A 4 -2.037 22.531 -28.739 1.00 0.00 N ATOM 39 CA SER A 4 -1.388 21.350 -28.180 1.00 0.00 C ATOM 40 C SER A 4 -2.409 20.433 -27.513 1.00 0.00 C ATOM 41 O SER A 4 -3.208 20.875 -26.686 1.00 0.00 O ATOM 42 CB SER A 4 -0.314 21.764 -27.170 1.00 0.00 C ATOM 43 OG SER A 4 -0.679 21.395 -25.851 1.00 0.00 O ATOM 0 H SER A 4 -2.245 23.260 -28.057 1.00 0.00 H new ATOM 0 HA SER A 4 -0.916 20.802 -28.996 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.635 21.295 -27.432 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.161 22.842 -27.219 1.00 0.00 H new ATOM 0 HG SER A 4 0.025 21.670 -25.228 1.00 0.00 H new ATOM 49 N HIS A 5 -2.379 19.156 -27.880 1.00 0.00 N ATOM 50 CA HIS A 5 -3.304 18.177 -27.320 1.00 0.00 C ATOM 51 C HIS A 5 -2.552 16.981 -26.745 1.00 0.00 C ATOM 52 O HIS A 5 -1.602 16.482 -27.350 1.00 0.00 O ATOM 53 CB HIS A 5 -4.290 17.706 -28.391 1.00 0.00 C ATOM 54 CG HIS A 5 -5.658 18.295 -28.247 1.00 0.00 C ATOM 55 ND1 HIS A 5 -5.874 19.647 -28.375 1.00 0.00 N ATOM 56 CD2 HIS A 5 -6.839 17.681 -27.989 1.00 0.00 C ATOM 57 CE1 HIS A 5 -7.170 19.826 -28.194 1.00 0.00 C ATOM 58 NE2 HIS A 5 -7.794 18.663 -27.957 1.00 0.00 N ATOM 0 H HIS A 5 -1.724 18.775 -28.563 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.856 18.658 -26.512 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -3.895 17.962 -29.374 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.365 16.619 -28.351 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.996 16.623 -27.838 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.664 20.786 -28.232 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.791 18.534 -27.785 1.00 0.00 H new ATOM 66 N HIS A 6 -2.985 16.527 -25.573 1.00 0.00 N ATOM 67 CA HIS A 6 -2.359 15.386 -24.913 1.00 0.00 C ATOM 68 C HIS A 6 -3.332 14.217 -24.812 1.00 0.00 C ATOM 69 O HIS A 6 -4.426 14.257 -25.377 1.00 0.00 O ATOM 70 CB HIS A 6 -1.873 15.782 -23.517 1.00 0.00 C ATOM 71 CG HIS A 6 -0.547 16.475 -23.517 1.00 0.00 C ATOM 72 ND1 HIS A 6 -0.453 17.846 -23.579 1.00 0.00 N ATOM 73 CD2 HIS A 6 0.702 15.948 -23.457 1.00 0.00 C ATOM 74 CE1 HIS A 6 0.839 18.121 -23.560 1.00 0.00 C ATOM 75 NE2 HIS A 6 1.575 17.003 -23.486 1.00 0.00 N ATOM 0 H HIS A 6 -3.768 16.932 -25.060 1.00 0.00 H new ATOM 0 HA HIS A 6 -1.504 15.074 -25.513 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.614 16.434 -23.055 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -1.806 14.887 -22.898 1.00 0.00 H new ATOM 0 HD2 HIS A 6 0.958 14.900 -23.398 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.250 19.119 -23.599 1.00 0.00 H new ATOM 0 HE2 HIS A 6 2.593 16.948 -23.457 1.00 0.00 H new ATOM 83 N HIS A 7 -2.929 13.176 -24.088 1.00 0.00 N ATOM 84 CA HIS A 7 -3.770 11.996 -23.914 1.00 0.00 C ATOM 85 C HIS A 7 -4.642 12.127 -22.670 1.00 0.00 C ATOM 86 O HIS A 7 -5.854 12.325 -22.768 1.00 0.00 O ATOM 87 CB HIS A 7 -2.906 10.738 -23.815 1.00 0.00 C ATOM 88 CG HIS A 7 -3.647 9.476 -24.132 1.00 0.00 C ATOM 89 ND1 HIS A 7 -4.808 9.493 -24.868 1.00 0.00 N ATOM 90 CD2 HIS A 7 -3.355 8.196 -23.792 1.00 0.00 C ATOM 91 CE1 HIS A 7 -5.196 8.233 -24.961 1.00 0.00 C ATOM 92 NE2 HIS A 7 -4.346 7.414 -24.325 1.00 0.00 N ATOM 0 H HIS A 7 -2.027 13.126 -23.614 1.00 0.00 H new ATOM 0 HA HIS A 7 -4.421 11.914 -24.784 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -2.060 10.834 -24.496 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -2.497 10.666 -22.807 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.507 7.859 -23.214 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.083 7.905 -25.482 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.423 6.400 -24.252 1.00 0.00 H new ATOM 100 N HIS A 8 -4.019 12.014 -21.501 1.00 0.00 N ATOM 101 CA HIS A 8 -4.738 12.119 -20.236 1.00 0.00 C ATOM 102 C HIS A 8 -4.843 13.574 -19.789 1.00 0.00 C ATOM 103 O HIS A 8 -4.288 14.470 -20.426 1.00 0.00 O ATOM 104 CB HIS A 8 -4.035 11.293 -19.157 1.00 0.00 C ATOM 105 CG HIS A 8 -3.941 9.835 -19.483 1.00 0.00 C ATOM 106 ND1 HIS A 8 -2.726 9.220 -19.672 1.00 0.00 N ATOM 107 CD2 HIS A 8 -4.931 8.920 -19.638 1.00 0.00 C ATOM 108 CE1 HIS A 8 -2.999 7.954 -19.938 1.00 0.00 C ATOM 109 NE2 HIS A 8 -4.321 7.727 -19.927 1.00 0.00 N ATOM 0 H HIS A 8 -3.017 11.850 -21.404 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.745 11.729 -20.385 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -3.030 11.688 -19.006 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -4.569 11.412 -18.215 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.993 9.097 -19.551 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.253 7.199 -20.138 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.785 6.835 -20.101 1.00 0.00 H new ATOM 117 N HIS A 9 -5.555 13.800 -18.690 1.00 0.00 N ATOM 118 CA HIS A 9 -5.733 15.145 -18.157 1.00 0.00 C ATOM 119 C HIS A 9 -4.442 15.658 -17.528 1.00 0.00 C ATOM 120 O HIS A 9 -3.407 14.993 -17.583 1.00 0.00 O ATOM 121 CB HIS A 9 -6.860 15.159 -17.121 1.00 0.00 C ATOM 122 CG HIS A 9 -7.788 16.326 -17.261 1.00 0.00 C ATOM 123 ND1 HIS A 9 -7.509 17.540 -16.679 1.00 0.00 N ATOM 124 CD2 HIS A 9 -8.968 16.413 -17.923 1.00 0.00 C ATOM 125 CE1 HIS A 9 -8.517 18.333 -16.995 1.00 0.00 C ATOM 126 NE2 HIS A 9 -9.424 17.693 -17.748 1.00 0.00 N ATOM 0 H HIS A 9 -6.018 13.068 -18.151 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.999 15.804 -18.983 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.434 14.236 -17.208 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.424 15.170 -16.122 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.454 15.626 -18.480 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.600 19.365 -16.687 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -10.289 18.085 -18.120 1.00 0.00 H new ATOM 134 N HIS A 10 -4.510 16.845 -16.932 1.00 0.00 N ATOM 135 CA HIS A 10 -3.345 17.448 -16.294 1.00 0.00 C ATOM 136 C HIS A 10 -3.474 17.413 -14.774 1.00 0.00 C ATOM 137 O HIS A 10 -2.531 17.051 -14.071 1.00 0.00 O ATOM 138 CB HIS A 10 -3.173 18.894 -16.766 1.00 0.00 C ATOM 139 CG HIS A 10 -2.135 19.054 -17.835 1.00 0.00 C ATOM 140 ND1 HIS A 10 -2.453 19.562 -19.071 1.00 0.00 N ATOM 141 CD2 HIS A 10 -0.811 18.764 -17.802 1.00 0.00 C ATOM 142 CE1 HIS A 10 -1.326 19.569 -19.760 1.00 0.00 C ATOM 143 NE2 HIS A 10 -0.306 19.094 -19.031 1.00 0.00 N ATOM 0 H HIS A 10 -5.359 17.408 -16.878 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.467 16.869 -16.579 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.128 19.262 -17.140 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.904 19.517 -15.913 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.261 18.353 -16.968 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.238 19.913 -20.780 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.663 18.997 -19.335 1.00 0.00 H new ATOM 151 N SER A 11 -4.646 17.791 -14.275 1.00 0.00 N ATOM 152 CA SER A 11 -4.896 17.806 -12.838 1.00 0.00 C ATOM 153 C SER A 11 -6.224 17.131 -12.505 1.00 0.00 C ATOM 154 O SER A 11 -6.864 16.539 -13.373 1.00 0.00 O ATOM 155 CB SER A 11 -4.898 19.245 -12.317 1.00 0.00 C ATOM 156 OG SER A 11 -3.978 20.050 -13.034 1.00 0.00 O ATOM 0 H SER A 11 -5.438 18.091 -14.844 1.00 0.00 H new ATOM 0 HA SER A 11 -4.096 17.249 -12.351 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.900 19.666 -12.406 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.642 19.251 -11.257 1.00 0.00 H new ATOM 0 HG SER A 11 -4.000 20.965 -12.682 1.00 0.00 H new ATOM 162 N SER A 12 -6.628 17.225 -11.242 1.00 0.00 N ATOM 163 CA SER A 12 -7.879 16.625 -10.792 1.00 0.00 C ATOM 164 C SER A 12 -9.074 17.472 -11.217 1.00 0.00 C ATOM 165 O SER A 12 -8.936 18.408 -12.005 1.00 0.00 O ATOM 166 CB SER A 12 -7.872 16.462 -9.271 1.00 0.00 C ATOM 167 OG SER A 12 -7.812 17.720 -8.620 1.00 0.00 O ATOM 0 H SER A 12 -6.107 17.711 -10.512 1.00 0.00 H new ATOM 0 HA SER A 12 -7.969 15.643 -11.257 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.769 15.929 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.018 15.854 -8.972 1.00 0.00 H new ATOM 0 HG SER A 12 -7.811 17.586 -7.649 1.00 0.00 H new ATOM 173 N GLY A 13 -10.248 17.136 -10.691 1.00 0.00 N ATOM 174 CA GLY A 13 -11.452 17.873 -11.027 1.00 0.00 C ATOM 175 C GLY A 13 -12.213 18.333 -9.799 1.00 0.00 C ATOM 176 O GLY A 13 -11.965 19.420 -9.278 1.00 0.00 O ATOM 0 H GLY A 13 -10.387 16.365 -10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.186 18.740 -11.632 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.100 17.245 -11.638 1.00 0.00 H new ATOM 180 N LEU A 14 -13.141 17.502 -9.334 1.00 0.00 N ATOM 181 CA LEU A 14 -13.941 17.827 -8.160 1.00 0.00 C ATOM 182 C LEU A 14 -14.006 16.642 -7.201 1.00 0.00 C ATOM 183 O LEU A 14 -14.975 15.882 -7.200 1.00 0.00 O ATOM 184 CB LEU A 14 -15.354 18.239 -8.577 1.00 0.00 C ATOM 185 CG LEU A 14 -15.650 19.737 -8.468 1.00 0.00 C ATOM 186 CD1 LEU A 14 -16.083 20.293 -9.816 1.00 0.00 C ATOM 187 CD2 LEU A 14 -16.717 19.992 -7.414 1.00 0.00 C ATOM 0 H LEU A 14 -13.357 16.598 -9.754 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.464 18.662 -7.646 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.518 17.926 -9.608 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.071 17.697 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.738 20.250 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.290 21.359 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.287 20.141 -10.545 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.983 19.778 -10.150 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.916 21.062 -7.349 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -17.633 19.469 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.368 19.628 -6.448 1.00 0.00 H new ATOM 199 N VAL A 15 -12.966 16.492 -6.386 1.00 0.00 N ATOM 200 CA VAL A 15 -12.904 15.402 -5.420 1.00 0.00 C ATOM 201 C VAL A 15 -12.373 15.896 -4.072 1.00 0.00 C ATOM 202 O VAL A 15 -11.213 16.292 -3.959 1.00 0.00 O ATOM 203 CB VAL A 15 -12.017 14.246 -5.934 1.00 0.00 C ATOM 204 CG1 VAL A 15 -10.692 14.776 -6.459 1.00 0.00 C ATOM 205 CG2 VAL A 15 -11.794 13.209 -4.843 1.00 0.00 C ATOM 0 H VAL A 15 -12.156 17.111 -6.376 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.920 15.029 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.537 13.760 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.083 13.945 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.877 15.469 -7.280 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.165 15.294 -5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.167 12.405 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -11.301 13.677 -3.991 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.754 12.801 -4.527 1.00 0.00 H new ATOM 215 N PRO A 16 -13.224 15.888 -3.028 1.00 0.00 N ATOM 216 CA PRO A 16 -12.840 16.347 -1.693 1.00 0.00 C ATOM 217 C PRO A 16 -12.086 15.283 -0.901 1.00 0.00 C ATOM 218 O PRO A 16 -11.420 15.590 0.088 1.00 0.00 O ATOM 219 CB PRO A 16 -14.186 16.644 -1.038 1.00 0.00 C ATOM 220 CG PRO A 16 -15.126 15.671 -1.663 1.00 0.00 C ATOM 221 CD PRO A 16 -14.632 15.442 -3.069 1.00 0.00 C ATOM 0 HA PRO A 16 -12.161 17.199 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.139 16.513 0.043 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.499 17.672 -1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -15.147 14.737 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.143 16.063 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.711 14.393 -3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.211 16.014 -3.794 1.00 0.00 H new ATOM 229 N ARG A 17 -12.202 14.032 -1.335 1.00 0.00 N ATOM 230 CA ARG A 17 -11.539 12.924 -0.658 1.00 0.00 C ATOM 231 C ARG A 17 -10.568 12.210 -1.592 1.00 0.00 C ATOM 232 O ARG A 17 -10.980 11.465 -2.481 1.00 0.00 O ATOM 233 CB ARG A 17 -12.576 11.931 -0.129 1.00 0.00 C ATOM 234 CG ARG A 17 -12.899 12.118 1.345 1.00 0.00 C ATOM 235 CD ARG A 17 -13.872 11.061 1.841 1.00 0.00 C ATOM 236 NE ARG A 17 -14.925 11.634 2.675 1.00 0.00 N ATOM 237 CZ ARG A 17 -15.217 11.198 3.896 1.00 0.00 C ATOM 238 NH1 ARG A 17 -14.540 10.187 4.423 1.00 0.00 N ATOM 239 NH2 ARG A 17 -16.190 11.773 4.591 1.00 0.00 N ATOM 0 H ARG A 17 -12.749 13.761 -2.152 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.972 13.333 0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.493 12.032 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.209 10.917 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.980 12.070 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.325 13.109 1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.322 10.553 0.988 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.329 10.307 2.410 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.467 12.412 2.299 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.792 9.741 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.767 9.855 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.714 12.550 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.414 11.438 5.528 1.00 0.00 H new ATOM 253 N GLY A 18 -9.275 12.433 -1.376 1.00 0.00 N ATOM 254 CA GLY A 18 -8.263 11.799 -2.201 1.00 0.00 C ATOM 255 C GLY A 18 -7.793 10.477 -1.629 1.00 0.00 C ATOM 256 O GLY A 18 -6.767 9.942 -2.046 1.00 0.00 O ATOM 0 H GLY A 18 -8.910 13.042 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.664 11.636 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.410 12.470 -2.305 1.00 0.00 H new ATOM 260 N SER A 19 -8.548 9.950 -0.669 1.00 0.00 N ATOM 261 CA SER A 19 -8.207 8.681 -0.037 1.00 0.00 C ATOM 262 C SER A 19 -8.741 7.507 -0.852 1.00 0.00 C ATOM 263 O SER A 19 -9.160 7.677 -1.999 1.00 0.00 O ATOM 264 CB SER A 19 -8.773 8.630 1.385 1.00 0.00 C ATOM 265 OG SER A 19 -10.114 8.174 1.387 1.00 0.00 O ATOM 0 H SER A 19 -9.400 10.383 -0.312 1.00 0.00 H new ATOM 0 HA SER A 19 -7.121 8.604 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.161 7.970 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.723 9.622 1.835 1.00 0.00 H new ATOM 0 HG SER A 19 -10.450 8.150 2.307 1.00 0.00 H new ATOM 271 N HIS A 20 -8.720 6.318 -0.256 1.00 0.00 N ATOM 272 CA HIS A 20 -9.200 5.113 -0.927 1.00 0.00 C ATOM 273 C HIS A 20 -10.626 5.301 -1.434 1.00 0.00 C ATOM 274 O HIS A 20 -11.563 5.439 -0.646 1.00 0.00 O ATOM 275 CB HIS A 20 -9.136 3.907 0.015 1.00 0.00 C ATOM 276 CG HIS A 20 -9.275 4.259 1.465 1.00 0.00 C ATOM 277 ND1 HIS A 20 -8.189 4.648 2.215 1.00 0.00 N ATOM 278 CD2 HIS A 20 -10.380 4.262 2.250 1.00 0.00 C ATOM 279 CE1 HIS A 20 -8.653 4.880 3.430 1.00 0.00 C ATOM 280 NE2 HIS A 20 -9.974 4.658 3.497 1.00 0.00 N ATOM 0 H HIS A 20 -8.375 6.163 0.691 1.00 0.00 H new ATOM 0 HA HIS A 20 -8.550 4.928 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.925 3.205 -0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.187 3.392 -0.134 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.385 4.003 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.047 5.206 4.262 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -10.565 4.764 4.321 1.00 0.00 H new ATOM 288 N MET A 21 -10.780 5.311 -2.755 1.00 0.00 N ATOM 289 CA MET A 21 -12.089 5.486 -3.373 1.00 0.00 C ATOM 290 C MET A 21 -12.501 4.236 -4.143 1.00 0.00 C ATOM 291 O MET A 21 -13.418 3.520 -3.738 1.00 0.00 O ATOM 292 CB MET A 21 -12.072 6.694 -4.312 1.00 0.00 C ATOM 293 CG MET A 21 -13.423 7.374 -4.456 1.00 0.00 C ATOM 294 SD MET A 21 -13.635 8.744 -3.304 1.00 0.00 S ATOM 295 CE MET A 21 -15.267 8.392 -2.656 1.00 0.00 C ATOM 0 H MET A 21 -10.013 5.200 -3.418 1.00 0.00 H new ATOM 0 HA MET A 21 -12.817 5.657 -2.581 1.00 0.00 H new ATOM 0 HB2 MET A 21 -11.347 7.420 -3.943 1.00 0.00 H new ATOM 0 HB3 MET A 21 -11.730 6.374 -5.296 1.00 0.00 H new ATOM 0 HG2 MET A 21 -13.534 7.741 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.214 6.642 -4.293 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.541 9.155 -1.927 1.00 0.00 H new ATOM 0 HE2 MET A 21 -15.990 8.393 -3.472 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.264 7.414 -2.174 1.00 0.00 H new ATOM 305 N LYS A 22 -11.820 3.983 -5.255 1.00 0.00 N ATOM 306 CA LYS A 22 -12.117 2.821 -6.086 1.00 0.00 C ATOM 307 C LYS A 22 -10.854 2.014 -6.365 1.00 0.00 C ATOM 308 O LYS A 22 -10.733 0.865 -5.941 1.00 0.00 O ATOM 309 CB LYS A 22 -12.761 3.257 -7.408 1.00 0.00 C ATOM 310 CG LYS A 22 -12.666 4.751 -7.677 1.00 0.00 C ATOM 311 CD LYS A 22 -12.029 5.034 -9.028 1.00 0.00 C ATOM 312 CE LYS A 22 -13.059 5.505 -10.043 1.00 0.00 C ATOM 313 NZ LYS A 22 -12.639 6.764 -10.717 1.00 0.00 N ATOM 0 H LYS A 22 -11.059 4.566 -5.602 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.818 2.189 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.284 2.719 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.811 2.965 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.662 5.192 -7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.080 5.227 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.255 5.793 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.540 4.132 -9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.214 4.727 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.015 5.662 -9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.368 7.051 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.516 7.514 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.739 6.608 -11.215 1.00 0.00 H new ATOM 327 N ASN A 23 -9.914 2.625 -7.080 1.00 0.00 N ATOM 328 CA ASN A 23 -8.658 1.963 -7.415 1.00 0.00 C ATOM 329 C ASN A 23 -7.471 2.880 -7.142 1.00 0.00 C ATOM 330 O ASN A 23 -7.498 4.065 -7.477 1.00 0.00 O ATOM 331 CB ASN A 23 -8.659 1.538 -8.884 1.00 0.00 C ATOM 332 CG ASN A 23 -9.726 0.505 -9.185 1.00 0.00 C ATOM 333 OD1 ASN A 23 -9.540 -0.687 -8.937 1.00 0.00 O ATOM 334 ND2 ASN A 23 -10.854 0.958 -9.720 1.00 0.00 N ATOM 0 H ASN A 23 -9.998 3.576 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.563 1.078 -6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.817 2.414 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.681 1.132 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.609 0.310 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.965 1.954 -9.909 1.00 0.00 H new ATOM 341 N ILE A 24 -6.430 2.324 -6.531 1.00 0.00 N ATOM 342 CA ILE A 24 -5.229 3.089 -6.214 1.00 0.00 C ATOM 343 C ILE A 24 -3.977 2.369 -6.702 1.00 0.00 C ATOM 344 O ILE A 24 -3.740 1.212 -6.353 1.00 0.00 O ATOM 345 CB ILE A 24 -5.105 3.344 -4.700 1.00 0.00 C ATOM 346 CG1 ILE A 24 -6.414 3.908 -4.144 1.00 0.00 C ATOM 347 CG2 ILE A 24 -3.952 4.295 -4.414 1.00 0.00 C ATOM 348 CD1 ILE A 24 -7.254 2.882 -3.415 1.00 0.00 C ATOM 0 H ILE A 24 -6.394 1.346 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.319 4.046 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.900 2.395 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.186 4.729 -3.464 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.997 4.326 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.878 4.465 -3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.022 3.858 -4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.129 5.244 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.166 3.353 -3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.513 2.072 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.689 2.481 -2.573 1.00 0.00 H new ATOM 360 N VAL A 25 -3.180 3.060 -7.510 1.00 0.00 N ATOM 361 CA VAL A 25 -1.946 2.487 -8.041 1.00 0.00 C ATOM 362 C VAL A 25 -0.737 2.901 -7.204 1.00 0.00 C ATOM 363 O VAL A 25 0.031 2.047 -6.760 1.00 0.00 O ATOM 364 CB VAL A 25 -1.700 2.891 -9.509 1.00 0.00 C ATOM 365 CG1 VAL A 25 -1.354 1.671 -10.347 1.00 0.00 C ATOM 366 CG2 VAL A 25 -2.908 3.615 -10.087 1.00 0.00 C ATOM 0 H VAL A 25 -3.365 4.017 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.070 1.405 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.854 3.578 -9.533 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.184 1.975 -11.380 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.452 1.203 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.178 0.958 -10.310 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.707 3.888 -11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.778 2.960 -10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.105 4.516 -9.506 1.00 0.00 H new ATOM 376 N PRO A 26 -0.531 4.218 -6.981 1.00 0.00 N ATOM 377 CA PRO A 26 0.601 4.701 -6.190 1.00 0.00 C ATOM 378 C PRO A 26 0.478 4.315 -4.723 1.00 0.00 C ATOM 379 O PRO A 26 -0.456 4.737 -4.040 1.00 0.00 O ATOM 380 CB PRO A 26 0.536 6.221 -6.352 1.00 0.00 C ATOM 381 CG PRO A 26 -0.892 6.506 -6.662 1.00 0.00 C ATOM 382 CD PRO A 26 -1.380 5.328 -7.458 1.00 0.00 C ATOM 0 HA PRO A 26 1.545 4.270 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.853 6.730 -5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.191 6.562 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.474 6.629 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.992 7.431 -7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.437 5.132 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.264 5.491 -8.529 1.00 0.00 H new ATOM 390 N ASP A 27 1.431 3.514 -4.249 1.00 0.00 N ATOM 391 CA ASP A 27 1.454 3.051 -2.867 1.00 0.00 C ATOM 392 C ASP A 27 0.098 2.506 -2.438 1.00 0.00 C ATOM 393 O ASP A 27 -0.725 3.216 -1.862 1.00 0.00 O ATOM 394 CB ASP A 27 1.933 4.162 -1.919 1.00 0.00 C ATOM 395 CG ASP A 27 1.051 5.395 -1.925 1.00 0.00 C ATOM 396 OD1 ASP A 27 1.282 6.287 -2.770 1.00 0.00 O ATOM 397 OD2 ASP A 27 0.142 5.483 -1.072 1.00 0.00 O ATOM 0 H ASP A 27 2.207 3.169 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 27 2.169 2.230 -2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.980 3.766 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.947 4.451 -2.196 1.00 0.00 H new ATOM 402 N TYR A 28 -0.109 1.220 -2.697 1.00 0.00 N ATOM 403 CA TYR A 28 -1.354 0.556 -2.314 1.00 0.00 C ATOM 404 C TYR A 28 -1.132 -0.286 -1.063 1.00 0.00 C ATOM 405 O TYR A 28 -0.038 -0.802 -0.844 1.00 0.00 O ATOM 406 CB TYR A 28 -1.881 -0.315 -3.456 1.00 0.00 C ATOM 407 CG TYR A 28 -3.287 -0.824 -3.232 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.386 -0.007 -3.460 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.514 -2.121 -2.790 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.673 -0.467 -3.255 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.798 -2.590 -2.583 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.874 -1.758 -2.816 1.00 0.00 C ATOM 413 OH TYR A 28 -7.153 -2.221 -2.613 1.00 0.00 O ATOM 0 H TYR A 28 0.565 0.617 -3.169 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.101 1.320 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.855 0.260 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.213 -1.166 -3.591 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.233 1.005 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.674 -2.774 -2.605 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.517 0.182 -3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.958 -3.602 -2.241 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.119 -3.151 -2.305 1.00 0.00 H new ATOM 423 N ARG A 29 -2.157 -0.390 -0.223 1.00 0.00 N ATOM 424 CA ARG A 29 -2.019 -1.097 1.045 1.00 0.00 C ATOM 425 C ARG A 29 -2.686 -2.471 1.037 1.00 0.00 C ATOM 426 O ARG A 29 -3.822 -2.627 0.591 1.00 0.00 O ATOM 427 CB ARG A 29 -2.602 -0.253 2.179 1.00 0.00 C ATOM 428 CG ARG A 29 -2.061 1.167 2.222 1.00 0.00 C ATOM 429 CD ARG A 29 -3.126 2.155 2.670 1.00 0.00 C ATOM 430 NE ARG A 29 -2.884 3.496 2.145 1.00 0.00 N ATOM 431 CZ ARG A 29 -3.182 3.868 0.903 1.00 0.00 C ATOM 432 NH1 ARG A 29 -3.731 3.003 0.061 1.00 0.00 N ATOM 433 NH2 ARG A 29 -2.930 5.107 0.503 1.00 0.00 N ATOM 0 H ARG A 29 -3.083 0.002 -0.395 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.952 -1.257 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.686 -0.217 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.391 -0.742 3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.211 1.213 2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.695 1.448 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.105 1.808 2.339 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.152 2.191 3.759 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.462 4.187 2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.926 2.049 0.365 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.958 3.292 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.508 5.775 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.159 5.392 -0.449 1.00 0.00 H new ATOM 447 N LEU A 30 -1.968 -3.451 1.583 1.00 0.00 N ATOM 448 CA LEU A 30 -2.474 -4.813 1.725 1.00 0.00 C ATOM 449 C LEU A 30 -2.157 -5.326 3.127 1.00 0.00 C ATOM 450 O LEU A 30 -1.153 -6.007 3.335 1.00 0.00 O ATOM 451 CB LEU A 30 -1.850 -5.733 0.666 1.00 0.00 C ATOM 452 CG LEU A 30 -2.540 -7.094 0.467 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.008 -8.117 1.462 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.051 -6.964 0.589 1.00 0.00 C ATOM 0 H LEU A 30 -1.021 -3.322 1.939 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.554 -4.810 1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.847 -5.206 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.809 -5.911 0.935 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.312 -7.442 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.509 -9.072 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.935 -8.242 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.199 -7.770 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.513 -7.941 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.305 -6.586 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.419 -6.272 -0.169 1.00 0.00 H new ATOM 466 N ASP A 31 -2.997 -4.966 4.093 1.00 0.00 N ATOM 467 CA ASP A 31 -2.761 -5.333 5.486 1.00 0.00 C ATOM 468 C ASP A 31 -3.653 -6.490 5.929 1.00 0.00 C ATOM 469 O ASP A 31 -4.541 -6.315 6.765 1.00 0.00 O ATOM 470 CB ASP A 31 -2.995 -4.123 6.393 1.00 0.00 C ATOM 471 CG ASP A 31 -1.902 -3.954 7.429 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.662 -4.908 8.199 1.00 0.00 O ATOM 473 OD2 ASP A 31 -1.288 -2.868 7.473 1.00 0.00 O ATOM 0 H ASP A 31 -3.845 -4.422 3.938 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.725 -5.661 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.055 -3.222 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.955 -4.231 6.897 1.00 0.00 H new ATOM 478 N MET A 32 -3.425 -7.669 5.355 1.00 0.00 N ATOM 479 CA MET A 32 -4.199 -8.849 5.716 1.00 0.00 C ATOM 480 C MET A 32 -3.297 -10.076 5.881 1.00 0.00 C ATOM 481 O MET A 32 -2.502 -10.161 6.820 1.00 0.00 O ATOM 482 CB MET A 32 -5.280 -9.111 4.663 1.00 0.00 C ATOM 483 CG MET A 32 -6.447 -8.140 4.737 1.00 0.00 C ATOM 484 SD MET A 32 -6.309 -6.797 3.541 1.00 0.00 S ATOM 485 CE MET A 32 -7.570 -7.267 2.358 1.00 0.00 C ATOM 0 H MET A 32 -2.714 -7.830 4.642 1.00 0.00 H new ATOM 0 HA MET A 32 -4.680 -8.661 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.832 -9.053 3.671 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.655 -10.127 4.784 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.377 -8.682 4.564 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.504 -7.722 5.742 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.607 -6.532 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.333 -8.247 1.943 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.539 -7.309 2.856 1.00 0.00 H new ATOM 495 N VAL A 33 -3.451 -11.041 4.979 1.00 0.00 N ATOM 496 CA VAL A 33 -2.665 -12.267 5.017 1.00 0.00 C ATOM 497 C VAL A 33 -2.150 -12.623 3.627 1.00 0.00 C ATOM 498 O VAL A 33 -2.777 -12.290 2.621 1.00 0.00 O ATOM 499 CB VAL A 33 -3.498 -13.448 5.558 1.00 0.00 C ATOM 500 CG1 VAL A 33 -2.601 -14.624 5.912 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.324 -13.018 6.762 1.00 0.00 C ATOM 0 H VAL A 33 -4.118 -10.995 4.209 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.822 -12.088 5.685 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.183 -13.768 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.210 -15.445 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.063 -14.952 5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.886 -14.319 6.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.903 -13.866 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.660 -12.665 7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.001 -12.215 6.471 1.00 0.00 H new ATOM 511 N GLY A 34 -1.021 -13.323 3.577 1.00 0.00 N ATOM 512 CA GLY A 34 -0.465 -13.737 2.302 1.00 0.00 C ATOM 513 C GLY A 34 -1.391 -14.677 1.554 1.00 0.00 C ATOM 514 O GLY A 34 -1.143 -15.017 0.397 1.00 0.00 O ATOM 0 H GLY A 34 -0.483 -13.610 4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.270 -12.857 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.494 -14.229 2.468 1.00 0.00 H new ATOM 518 N GLU A 35 -2.462 -15.095 2.222 1.00 0.00 N ATOM 519 CA GLU A 35 -3.443 -15.993 1.626 1.00 0.00 C ATOM 520 C GLU A 35 -4.156 -15.319 0.455 1.00 0.00 C ATOM 521 O GLU A 35 -4.186 -14.091 0.365 1.00 0.00 O ATOM 522 CB GLU A 35 -4.462 -16.428 2.688 1.00 0.00 C ATOM 523 CG GLU A 35 -5.701 -15.547 2.755 1.00 0.00 C ATOM 524 CD GLU A 35 -6.442 -15.679 4.072 1.00 0.00 C ATOM 525 OE1 GLU A 35 -5.879 -16.275 5.015 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.587 -15.187 4.161 1.00 0.00 O ATOM 0 H GLU A 35 -2.672 -14.823 3.182 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.923 -16.872 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.769 -17.454 2.484 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.976 -16.429 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.410 -14.507 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.372 -15.808 1.937 1.00 0.00 H new ATOM 533 N PRO A 36 -4.755 -16.111 -0.456 1.00 0.00 N ATOM 534 CA PRO A 36 -5.474 -15.573 -1.617 1.00 0.00 C ATOM 535 C PRO A 36 -6.623 -14.655 -1.209 1.00 0.00 C ATOM 536 O PRO A 36 -7.755 -15.103 -1.022 1.00 0.00 O ATOM 537 CB PRO A 36 -6.012 -16.821 -2.325 1.00 0.00 C ATOM 538 CG PRO A 36 -5.156 -17.939 -1.841 1.00 0.00 C ATOM 539 CD PRO A 36 -4.772 -17.584 -0.433 1.00 0.00 C ATOM 0 HA PRO A 36 -4.826 -14.962 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.060 -16.992 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.950 -16.717 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.696 -18.886 -1.872 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.273 -18.055 -2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.491 -17.968 0.291 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.799 -17.995 -0.164 1.00 0.00 H new ATOM 547 N CYS A 37 -6.322 -13.368 -1.074 1.00 0.00 N ATOM 548 CA CYS A 37 -7.321 -12.381 -0.683 1.00 0.00 C ATOM 549 C CYS A 37 -8.157 -11.942 -1.886 1.00 0.00 C ATOM 550 O CYS A 37 -7.734 -12.099 -3.031 1.00 0.00 O ATOM 551 CB CYS A 37 -6.638 -11.166 -0.052 1.00 0.00 C ATOM 552 SG CYS A 37 -6.615 -11.191 1.756 1.00 0.00 S ATOM 0 H CYS A 37 -5.390 -12.983 -1.230 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.986 -12.841 0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.613 -11.108 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.147 -10.262 -0.386 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.015 -10.125 2.197 1.00 0.00 H new ATOM 558 N PRO A 38 -9.358 -11.380 -1.642 1.00 0.00 N ATOM 559 CA PRO A 38 -10.250 -10.925 -2.715 1.00 0.00 C ATOM 560 C PRO A 38 -9.605 -9.862 -3.601 1.00 0.00 C ATOM 561 O PRO A 38 -9.585 -9.993 -4.826 1.00 0.00 O ATOM 562 CB PRO A 38 -11.448 -10.332 -1.963 1.00 0.00 C ATOM 563 CG PRO A 38 -11.403 -10.957 -0.613 1.00 0.00 C ATOM 564 CD PRO A 38 -9.948 -11.165 -0.307 1.00 0.00 C ATOM 0 HA PRO A 38 -10.512 -11.739 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.375 -9.246 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.385 -10.559 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.871 -10.313 0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.944 -11.903 -0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.512 -10.300 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.791 -12.023 0.347 1.00 0.00 H new ATOM 572 N TYR A 39 -9.090 -8.806 -2.978 1.00 0.00 N ATOM 573 CA TYR A 39 -8.460 -7.713 -3.715 1.00 0.00 C ATOM 574 C TYR A 39 -7.119 -7.321 -3.091 1.00 0.00 C ATOM 575 O TYR A 39 -6.957 -6.203 -2.602 1.00 0.00 O ATOM 576 CB TYR A 39 -9.393 -6.499 -3.756 1.00 0.00 C ATOM 577 CG TYR A 39 -10.266 -6.361 -2.526 1.00 0.00 C ATOM 578 CD1 TYR A 39 -9.732 -5.941 -1.315 1.00 0.00 C ATOM 579 CD2 TYR A 39 -11.623 -6.653 -2.580 1.00 0.00 C ATOM 580 CE1 TYR A 39 -10.526 -5.816 -0.190 1.00 0.00 C ATOM 581 CE2 TYR A 39 -12.423 -6.530 -1.459 1.00 0.00 C ATOM 582 CZ TYR A 39 -11.871 -6.110 -0.268 1.00 0.00 C ATOM 583 OH TYR A 39 -12.664 -5.987 0.849 1.00 0.00 O ATOM 0 H TYR A 39 -9.096 -8.683 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.272 -8.058 -4.732 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.794 -5.595 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.031 -6.571 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.679 -5.708 -1.251 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.060 -6.981 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.095 -5.490 0.745 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.476 -6.762 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.586 -6.231 0.624 1.00 0.00 H new ATOM 593 N PRO A 40 -6.128 -8.231 -3.121 1.00 0.00 N ATOM 594 CA PRO A 40 -4.810 -7.984 -2.551 1.00 0.00 C ATOM 595 C PRO A 40 -3.819 -7.437 -3.582 1.00 0.00 C ATOM 596 O PRO A 40 -3.958 -6.307 -4.047 1.00 0.00 O ATOM 597 CB PRO A 40 -4.406 -9.381 -2.089 1.00 0.00 C ATOM 598 CG PRO A 40 -5.009 -10.300 -3.104 1.00 0.00 C ATOM 599 CD PRO A 40 -6.221 -9.595 -3.673 1.00 0.00 C ATOM 0 HA PRO A 40 -4.818 -7.231 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.322 -9.488 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.783 -9.593 -1.088 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.291 -10.529 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.293 -11.247 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.204 -9.587 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.147 -10.086 -3.372 1.00 0.00 H new ATOM 607 N ALA A 41 -2.835 -8.258 -3.955 1.00 0.00 N ATOM 608 CA ALA A 41 -1.824 -7.864 -4.933 1.00 0.00 C ATOM 609 C ALA A 41 -2.443 -7.500 -6.277 1.00 0.00 C ATOM 610 O ALA A 41 -1.736 -7.093 -7.198 1.00 0.00 O ATOM 611 CB ALA A 41 -0.811 -8.979 -5.123 1.00 0.00 C ATOM 0 H ALA A 41 -2.718 -9.204 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.325 -6.978 -4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.064 -8.671 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.322 -9.192 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.319 -9.875 -5.479 1.00 0.00 H new ATOM 617 N VAL A 42 -3.756 -7.672 -6.394 1.00 0.00 N ATOM 618 CA VAL A 42 -4.461 -7.347 -7.627 1.00 0.00 C ATOM 619 C VAL A 42 -4.044 -5.973 -8.141 1.00 0.00 C ATOM 620 O VAL A 42 -3.996 -5.736 -9.348 1.00 0.00 O ATOM 621 CB VAL A 42 -5.988 -7.377 -7.422 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.452 -6.185 -6.596 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.707 -7.421 -8.761 1.00 0.00 C ATOM 0 H VAL A 42 -4.352 -8.034 -5.650 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.193 -8.103 -8.365 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.238 -8.283 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.533 -6.231 -6.467 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.968 -6.209 -5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.187 -5.261 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.784 -7.442 -8.595 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.446 -6.537 -9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.407 -8.316 -9.306 1.00 0.00 H new ATOM 633 N ALA A 43 -3.750 -5.074 -7.208 1.00 0.00 N ATOM 634 CA ALA A 43 -3.316 -3.725 -7.549 1.00 0.00 C ATOM 635 C ALA A 43 -1.884 -3.725 -8.077 1.00 0.00 C ATOM 636 O ALA A 43 -1.554 -2.990 -9.005 1.00 0.00 O ATOM 637 CB ALA A 43 -3.435 -2.809 -6.340 1.00 0.00 C ATOM 0 H ALA A 43 -3.805 -5.257 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.967 -3.351 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.107 -1.805 -6.610 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.473 -2.775 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.810 -3.190 -5.532 1.00 0.00 H new ATOM 643 N THR A 44 -1.038 -4.547 -7.462 1.00 0.00 N ATOM 644 CA THR A 44 0.371 -4.635 -7.839 1.00 0.00 C ATOM 645 C THR A 44 0.543 -4.960 -9.320 1.00 0.00 C ATOM 646 O THR A 44 1.234 -4.245 -10.046 1.00 0.00 O ATOM 647 CB THR A 44 1.073 -5.698 -6.992 1.00 0.00 C ATOM 648 OG1 THR A 44 0.642 -5.627 -5.645 1.00 0.00 O ATOM 649 CG2 THR A 44 2.580 -5.573 -7.002 1.00 0.00 C ATOM 0 H THR A 44 -1.305 -5.165 -6.696 1.00 0.00 H new ATOM 0 HA THR A 44 0.823 -3.660 -7.656 1.00 0.00 H new ATOM 0 HB THR A 44 0.804 -6.653 -7.443 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.370 -4.709 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.014 -6.357 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.947 -5.673 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.867 -4.598 -6.608 1.00 0.00 H new ATOM 657 N LEU A 45 -0.068 -6.056 -9.758 1.00 0.00 N ATOM 658 CA LEU A 45 0.040 -6.487 -11.148 1.00 0.00 C ATOM 659 C LEU A 45 -0.438 -5.398 -12.104 1.00 0.00 C ATOM 660 O LEU A 45 0.274 -5.021 -13.034 1.00 0.00 O ATOM 661 CB LEU A 45 -0.767 -7.766 -11.374 1.00 0.00 C ATOM 662 CG LEU A 45 -0.256 -8.999 -10.625 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.192 -10.178 -10.844 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.158 -9.348 -11.066 1.00 0.00 C ATOM 0 H LEU A 45 -0.642 -6.662 -9.172 1.00 0.00 H new ATOM 0 HA LEU A 45 1.092 -6.685 -11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.800 -7.582 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.777 -7.987 -12.441 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.233 -8.770 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.815 -11.047 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.187 -9.926 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.246 -10.407 -11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.502 -10.227 -10.522 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.164 -9.558 -12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.822 -8.509 -10.857 1.00 0.00 H new ATOM 676 N GLU A 46 -1.647 -4.899 -11.871 1.00 0.00 N ATOM 677 CA GLU A 46 -2.221 -3.861 -12.720 1.00 0.00 C ATOM 678 C GLU A 46 -1.474 -2.540 -12.557 1.00 0.00 C ATOM 679 O GLU A 46 -1.680 -1.602 -13.328 1.00 0.00 O ATOM 680 CB GLU A 46 -3.704 -3.668 -12.393 1.00 0.00 C ATOM 681 CG GLU A 46 -3.954 -3.077 -11.015 1.00 0.00 C ATOM 682 CD GLU A 46 -5.320 -2.431 -10.896 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.321 -3.172 -10.808 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.389 -1.184 -10.892 1.00 0.00 O ATOM 0 H GLU A 46 -2.248 -5.196 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.122 -4.183 -13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.151 -3.017 -13.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.211 -4.631 -12.463 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.861 -3.862 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.185 -2.335 -10.797 1.00 0.00 H new ATOM 691 N ALA A 47 -0.617 -2.468 -11.543 1.00 0.00 N ATOM 692 CA ALA A 47 0.152 -1.256 -11.279 1.00 0.00 C ATOM 693 C ALA A 47 1.251 -1.056 -12.316 1.00 0.00 C ATOM 694 O ALA A 47 1.516 0.070 -12.739 1.00 0.00 O ATOM 695 CB ALA A 47 0.749 -1.296 -9.880 1.00 0.00 C ATOM 0 H ALA A 47 -0.438 -3.232 -10.892 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.532 -0.410 -11.347 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.319 -0.384 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.052 -1.373 -9.145 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.408 -2.159 -9.790 1.00 0.00 H new ATOM 701 N MET A 48 1.898 -2.148 -12.711 1.00 0.00 N ATOM 702 CA MET A 48 2.988 -2.078 -13.681 1.00 0.00 C ATOM 703 C MET A 48 2.563 -1.349 -14.955 1.00 0.00 C ATOM 704 O MET A 48 3.220 -0.393 -15.364 1.00 0.00 O ATOM 705 CB MET A 48 3.508 -3.480 -14.011 1.00 0.00 C ATOM 706 CG MET A 48 3.876 -4.294 -12.782 1.00 0.00 C ATOM 707 SD MET A 48 4.378 -5.978 -13.189 1.00 0.00 S ATOM 708 CE MET A 48 2.782 -6.758 -13.418 1.00 0.00 C ATOM 0 H MET A 48 1.689 -3.089 -12.377 1.00 0.00 H new ATOM 0 HA MET A 48 3.796 -1.504 -13.227 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.748 -4.017 -14.578 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.383 -3.392 -14.655 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.687 -3.796 -12.250 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.023 -4.327 -12.104 1.00 0.00 H new ATOM 0 HE1 MET A 48 2.672 -7.576 -12.707 1.00 0.00 H new ATOM 0 HE2 MET A 48 1.992 -6.025 -13.254 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.710 -7.148 -14.433 1.00 0.00 H new ATOM 718 N PRO A 49 1.461 -1.768 -15.607 1.00 0.00 N ATOM 719 CA PRO A 49 0.978 -1.093 -16.813 1.00 0.00 C ATOM 720 C PRO A 49 0.461 0.304 -16.496 1.00 0.00 C ATOM 721 O PRO A 49 0.870 1.287 -17.113 1.00 0.00 O ATOM 722 CB PRO A 49 -0.157 -1.995 -17.304 1.00 0.00 C ATOM 723 CG PRO A 49 -0.632 -2.702 -16.083 1.00 0.00 C ATOM 724 CD PRO A 49 0.579 -2.886 -15.211 1.00 0.00 C ATOM 0 HA PRO A 49 1.763 -0.954 -17.556 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.957 -1.412 -17.761 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.195 -2.699 -18.058 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.398 -2.121 -15.569 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.079 -3.663 -16.338 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.323 -2.840 -14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.054 -3.852 -15.382 1.00 0.00 H new ATOM 732 N GLN A 50 -0.436 0.383 -15.517 1.00 0.00 N ATOM 733 CA GLN A 50 -1.006 1.653 -15.089 1.00 0.00 C ATOM 734 C GLN A 50 -0.005 2.483 -14.282 1.00 0.00 C ATOM 735 O GLN A 50 -0.399 3.395 -13.556 1.00 0.00 O ATOM 736 CB GLN A 50 -2.267 1.411 -14.258 1.00 0.00 C ATOM 737 CG GLN A 50 -3.386 0.735 -15.034 1.00 0.00 C ATOM 738 CD GLN A 50 -4.677 0.649 -14.244 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.742 1.070 -13.088 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.715 0.102 -14.865 1.00 0.00 N ATOM 0 H GLN A 50 -0.785 -0.426 -15.003 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.261 2.217 -15.986 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.011 0.796 -13.395 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.627 2.365 -13.874 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.566 1.285 -15.958 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.071 -0.269 -15.318 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.617 -0.234 -15.823 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.610 0.018 -14.384 1.00 0.00 H new ATOM 749 N LEU A 51 1.288 2.169 -14.412 1.00 0.00 N ATOM 750 CA LEU A 51 2.331 2.885 -13.677 1.00 0.00 C ATOM 751 C LEU A 51 2.211 4.396 -13.851 1.00 0.00 C ATOM 752 O LEU A 51 1.351 4.892 -14.580 1.00 0.00 O ATOM 753 CB LEU A 51 3.721 2.432 -14.131 1.00 0.00 C ATOM 754 CG LEU A 51 4.243 3.106 -15.404 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.685 3.555 -15.215 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.127 2.167 -16.595 1.00 0.00 C ATOM 0 H LEU A 51 1.635 1.426 -15.018 1.00 0.00 H new ATOM 0 HA LEU A 51 2.196 2.648 -12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.429 2.620 -13.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.700 1.354 -14.292 1.00 0.00 H new ATOM 0 HG LEU A 51 3.631 3.986 -15.603 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.040 4.032 -16.129 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.740 4.265 -14.390 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.309 2.690 -14.991 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.503 2.665 -17.489 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.713 1.267 -16.407 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.082 1.895 -16.744 1.00 0.00 H new ATOM 768 N LYS A 52 3.105 5.119 -13.189 1.00 0.00 N ATOM 769 CA LYS A 52 3.117 6.576 -13.257 1.00 0.00 C ATOM 770 C LYS A 52 4.539 7.116 -13.107 1.00 0.00 C ATOM 771 O LYS A 52 5.495 6.506 -13.588 1.00 0.00 O ATOM 772 CB LYS A 52 2.210 7.160 -12.170 1.00 0.00 C ATOM 773 CG LYS A 52 0.758 7.297 -12.597 1.00 0.00 C ATOM 774 CD LYS A 52 0.527 8.571 -13.391 1.00 0.00 C ATOM 775 CE LYS A 52 -0.946 8.947 -13.424 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.184 10.200 -14.195 1.00 0.00 N ATOM 0 H LYS A 52 3.833 4.720 -12.597 1.00 0.00 H new ATOM 0 HA LYS A 52 2.740 6.878 -14.234 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.261 6.525 -11.286 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.589 8.140 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.472 6.435 -13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.117 7.296 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.102 9.385 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.893 8.438 -14.409 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.518 8.133 -13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.311 9.073 -12.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.200 10.421 -14.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.659 10.983 -13.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.859 10.072 -15.175 1.00 0.00 H new ATOM 790 N LYS A 53 4.675 8.261 -12.442 1.00 0.00 N ATOM 791 CA LYS A 53 5.980 8.880 -12.241 1.00 0.00 C ATOM 792 C LYS A 53 6.688 8.290 -11.025 1.00 0.00 C ATOM 793 O LYS A 53 7.519 8.948 -10.400 1.00 0.00 O ATOM 794 CB LYS A 53 5.829 10.394 -12.071 1.00 0.00 C ATOM 795 CG LYS A 53 4.607 10.971 -12.768 1.00 0.00 C ATOM 796 CD LYS A 53 3.546 11.402 -11.769 1.00 0.00 C ATOM 797 CE LYS A 53 2.265 11.833 -12.464 1.00 0.00 C ATOM 798 NZ LYS A 53 2.452 13.084 -13.250 1.00 0.00 N ATOM 0 H LYS A 53 3.896 8.778 -12.034 1.00 0.00 H new ATOM 0 HA LYS A 53 6.587 8.676 -13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.773 10.627 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.722 10.885 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.904 11.825 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.189 10.227 -13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.332 10.579 -11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.927 12.225 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.926 11.036 -13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.482 11.985 -11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.540 13.381 -13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.816 13.834 -12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.131 12.912 -14.019 1.00 0.00 H new ATOM 812 N GLY A 54 6.357 7.044 -10.695 1.00 0.00 N ATOM 813 CA GLY A 54 6.977 6.390 -9.559 1.00 0.00 C ATOM 814 C GLY A 54 5.961 5.845 -8.574 1.00 0.00 C ATOM 815 O GLY A 54 5.637 6.499 -7.582 1.00 0.00 O ATOM 0 H GLY A 54 5.671 6.478 -11.194 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.608 5.575 -9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.629 7.098 -9.048 1.00 0.00 H new ATOM 819 N GLU A 55 5.460 4.643 -8.844 1.00 0.00 N ATOM 820 CA GLU A 55 4.483 4.009 -7.965 1.00 0.00 C ATOM 821 C GLU A 55 5.148 3.484 -6.702 1.00 0.00 C ATOM 822 O GLU A 55 6.346 3.667 -6.495 1.00 0.00 O ATOM 823 CB GLU A 55 3.765 2.864 -8.681 1.00 0.00 C ATOM 824 CG GLU A 55 4.659 2.060 -9.610 1.00 0.00 C ATOM 825 CD GLU A 55 3.871 1.226 -10.601 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.682 1.535 -10.824 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.444 0.264 -11.155 1.00 0.00 O ATOM 0 H GLU A 55 5.714 4.090 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 55 3.750 4.767 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.337 2.194 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.934 3.273 -9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.316 2.739 -10.154 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.298 1.405 -9.017 1.00 0.00 H new ATOM 834 N ILE A 56 4.347 2.882 -5.830 1.00 0.00 N ATOM 835 CA ILE A 56 4.844 2.328 -4.577 1.00 0.00 C ATOM 836 C ILE A 56 3.870 1.296 -4.018 1.00 0.00 C ATOM 837 O ILE A 56 2.825 1.024 -4.613 1.00 0.00 O ATOM 838 CB ILE A 56 5.081 3.419 -3.507 1.00 0.00 C ATOM 839 CG1 ILE A 56 4.622 4.795 -4.007 1.00 0.00 C ATOM 840 CG2 ILE A 56 6.546 3.454 -3.106 1.00 0.00 C ATOM 841 CD1 ILE A 56 4.750 5.892 -2.971 1.00 0.00 C ATOM 0 H ILE A 56 3.343 2.765 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 56 5.799 1.855 -4.807 1.00 0.00 H new ATOM 0 HB ILE A 56 4.485 3.169 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.208 5.067 -4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.582 4.728 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.699 4.226 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.834 2.486 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.158 3.675 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.407 6.835 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.142 5.644 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.793 5.988 -2.669 1.00 0.00 H new ATOM 853 N LEU A 57 4.200 0.749 -2.856 1.00 0.00 N ATOM 854 CA LEU A 57 3.341 -0.235 -2.211 1.00 0.00 C ATOM 855 C LEU A 57 3.624 -0.329 -0.737 1.00 0.00 C ATOM 856 O LEU A 57 4.730 -0.046 -0.278 1.00 0.00 O ATOM 857 CB LEU A 57 3.552 -1.616 -2.817 1.00 0.00 C ATOM 858 CG LEU A 57 2.300 -2.492 -2.932 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.144 -1.710 -3.537 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.595 -3.733 -3.760 1.00 0.00 C ATOM 0 H LEU A 57 5.053 0.969 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 57 2.314 0.094 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.980 -1.494 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.290 -2.147 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 57 2.010 -2.804 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.267 -2.354 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.914 -0.852 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.421 -1.363 -4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.696 -4.345 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.913 -3.436 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.388 -4.309 -3.283 1.00 0.00 H new ATOM 872 N GLU A 58 2.626 -0.784 -0.004 1.00 0.00 N ATOM 873 CA GLU A 58 2.787 -1.021 1.407 1.00 0.00 C ATOM 874 C GLU A 58 1.893 -2.166 1.846 1.00 0.00 C ATOM 875 O GLU A 58 0.683 -2.004 2.003 1.00 0.00 O ATOM 876 CB GLU A 58 2.489 0.241 2.228 1.00 0.00 C ATOM 877 CG GLU A 58 2.501 1.533 1.420 1.00 0.00 C ATOM 878 CD GLU A 58 1.485 2.543 1.918 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.029 2.408 3.074 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.146 3.471 1.154 1.00 0.00 O ATOM 0 H GLU A 58 1.697 -0.995 -0.368 1.00 0.00 H new ATOM 0 HA GLU A 58 3.827 -1.291 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.513 0.131 2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.224 0.321 3.029 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.497 1.974 1.462 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.298 1.305 0.374 1.00 0.00 H new ATOM 887 N VAL A 59 2.494 -3.333 2.004 1.00 0.00 N ATOM 888 CA VAL A 59 1.753 -4.534 2.347 1.00 0.00 C ATOM 889 C VAL A 59 2.213 -5.124 3.678 1.00 0.00 C ATOM 890 O VAL A 59 3.406 -5.298 3.915 1.00 0.00 O ATOM 891 CB VAL A 59 1.898 -5.584 1.236 1.00 0.00 C ATOM 892 CG1 VAL A 59 3.334 -5.644 0.740 1.00 0.00 C ATOM 893 CG2 VAL A 59 1.423 -6.949 1.711 1.00 0.00 C ATOM 0 H VAL A 59 3.499 -3.474 1.899 1.00 0.00 H new ATOM 0 HA VAL A 59 0.705 -4.253 2.449 1.00 0.00 H new ATOM 0 HB VAL A 59 1.265 -5.286 0.400 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.416 -6.394 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.623 -4.670 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.993 -5.911 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.536 -7.674 0.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.018 -7.263 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.374 -6.889 2.000 1.00 0.00 H new ATOM 903 N VAL A 60 1.249 -5.434 4.538 1.00 0.00 N ATOM 904 CA VAL A 60 1.531 -6.036 5.836 1.00 0.00 C ATOM 905 C VAL A 60 0.613 -7.230 6.073 1.00 0.00 C ATOM 906 O VAL A 60 -0.599 -7.076 6.209 1.00 0.00 O ATOM 907 CB VAL A 60 1.353 -5.026 6.986 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.919 -5.586 8.281 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.007 -3.697 6.640 1.00 0.00 C ATOM 0 H VAL A 60 0.258 -5.277 4.357 1.00 0.00 H new ATOM 0 HA VAL A 60 2.571 -6.362 5.823 1.00 0.00 H new ATOM 0 HB VAL A 60 0.286 -4.852 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.784 -4.859 9.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.398 -6.508 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.982 -5.793 8.154 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.870 -2.998 7.465 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.072 -3.850 6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.548 -3.289 5.739 1.00 0.00 H new ATOM 919 N SER A 61 1.188 -8.423 6.090 1.00 0.00 N ATOM 920 CA SER A 61 0.401 -9.632 6.278 1.00 0.00 C ATOM 921 C SER A 61 1.147 -10.655 7.122 1.00 0.00 C ATOM 922 O SER A 61 2.300 -10.445 7.497 1.00 0.00 O ATOM 923 CB SER A 61 0.045 -10.242 4.919 1.00 0.00 C ATOM 924 OG SER A 61 0.737 -9.588 3.869 1.00 0.00 O ATOM 0 H SER A 61 2.190 -8.580 5.977 1.00 0.00 H new ATOM 0 HA SER A 61 -0.512 -9.358 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.294 -11.303 4.917 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.030 -10.166 4.753 1.00 0.00 H new ATOM 0 HG SER A 61 0.494 -9.997 3.012 1.00 0.00 H new ATOM 930 N ASP A 62 0.487 -11.773 7.393 1.00 0.00 N ATOM 931 CA ASP A 62 1.087 -12.840 8.185 1.00 0.00 C ATOM 932 C ASP A 62 1.207 -14.119 7.365 1.00 0.00 C ATOM 933 O ASP A 62 0.254 -14.541 6.710 1.00 0.00 O ATOM 934 CB ASP A 62 0.257 -13.100 9.445 1.00 0.00 C ATOM 935 CG ASP A 62 -1.140 -13.598 9.127 1.00 0.00 C ATOM 936 OD1 ASP A 62 -2.038 -12.755 8.926 1.00 0.00 O ATOM 937 OD2 ASP A 62 -1.333 -14.831 9.080 1.00 0.00 O ATOM 0 H ASP A 62 -0.463 -11.965 7.077 1.00 0.00 H new ATOM 0 HA ASP A 62 2.087 -12.523 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.768 -13.834 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.188 -12.181 10.027 1.00 0.00 H new ATOM 942 N CYS A 63 2.395 -14.715 7.379 1.00 0.00 N ATOM 943 CA CYS A 63 2.644 -15.941 6.630 1.00 0.00 C ATOM 944 C CYS A 63 3.855 -16.687 7.185 1.00 0.00 C ATOM 945 O CYS A 63 4.924 -16.104 7.364 1.00 0.00 O ATOM 946 CB CYS A 63 2.862 -15.622 5.150 1.00 0.00 C ATOM 947 SG CYS A 63 1.940 -16.690 4.020 1.00 0.00 S ATOM 0 H CYS A 63 3.200 -14.369 7.901 1.00 0.00 H new ATOM 0 HA CYS A 63 1.769 -16.583 6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.577 -14.586 4.967 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.925 -15.705 4.925 1.00 0.00 H new ATOM 0 HG CYS A 63 2.188 -16.340 2.793 1.00 0.00 H new ATOM 953 N PRO A 64 3.709 -17.998 7.458 1.00 0.00 N ATOM 954 CA PRO A 64 4.800 -18.818 7.990 1.00 0.00 C ATOM 955 C PRO A 64 5.853 -19.136 6.931 1.00 0.00 C ATOM 956 O PRO A 64 6.976 -19.524 7.255 1.00 0.00 O ATOM 957 CB PRO A 64 4.094 -20.097 8.439 1.00 0.00 C ATOM 958 CG PRO A 64 2.897 -20.195 7.559 1.00 0.00 C ATOM 959 CD PRO A 64 2.469 -18.780 7.274 1.00 0.00 C ATOM 0 HA PRO A 64 5.341 -18.310 8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.741 -20.967 8.326 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.810 -20.045 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.135 -20.723 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.098 -20.752 8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.076 -18.676 6.263 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.684 -18.453 7.956 1.00 0.00 H new ATOM 967 N GLN A 65 5.481 -18.970 5.666 1.00 0.00 N ATOM 968 CA GLN A 65 6.390 -19.244 4.557 1.00 0.00 C ATOM 969 C GLN A 65 7.028 -17.957 4.044 1.00 0.00 C ATOM 970 O GLN A 65 6.480 -16.868 4.216 1.00 0.00 O ATOM 971 CB GLN A 65 5.644 -19.943 3.419 1.00 0.00 C ATOM 972 CG GLN A 65 4.594 -20.934 3.895 1.00 0.00 C ATOM 973 CD GLN A 65 4.935 -22.365 3.531 1.00 0.00 C ATOM 974 OE1 GLN A 65 4.302 -22.965 2.662 1.00 0.00 O ATOM 975 NE2 GLN A 65 5.942 -22.920 4.196 1.00 0.00 N ATOM 0 H GLN A 65 4.556 -18.647 5.382 1.00 0.00 H new ATOM 0 HA GLN A 65 7.180 -19.900 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.163 -19.190 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.365 -20.465 2.790 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.488 -20.854 4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.629 -20.672 3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.439 -22.385 4.908 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.218 -23.881 3.994 1.00 0.00 H new ATOM 984 N SER A 66 8.188 -18.093 3.407 1.00 0.00 N ATOM 985 CA SER A 66 8.902 -16.943 2.863 1.00 0.00 C ATOM 986 C SER A 66 8.185 -16.387 1.637 1.00 0.00 C ATOM 987 O SER A 66 8.089 -15.174 1.459 1.00 0.00 O ATOM 988 CB SER A 66 10.336 -17.334 2.496 1.00 0.00 C ATOM 989 OG SER A 66 10.570 -18.709 2.743 1.00 0.00 O ATOM 0 H SER A 66 8.653 -18.988 3.255 1.00 0.00 H new ATOM 0 HA SER A 66 8.928 -16.168 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.518 -17.114 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.039 -16.733 3.073 1.00 0.00 H new ATOM 0 HG SER A 66 11.492 -18.933 2.499 1.00 0.00 H new ATOM 995 N ILE A 67 7.683 -17.286 0.793 1.00 0.00 N ATOM 996 CA ILE A 67 6.973 -16.887 -0.417 1.00 0.00 C ATOM 997 C ILE A 67 5.674 -16.164 -0.076 1.00 0.00 C ATOM 998 O ILE A 67 4.718 -16.777 0.399 1.00 0.00 O ATOM 999 CB ILE A 67 6.653 -18.103 -1.308 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.876 -19.015 -1.427 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.194 -17.645 -2.684 1.00 0.00 C ATOM 1002 CD1 ILE A 67 7.655 -20.399 -0.857 1.00 0.00 C ATOM 0 H ILE A 67 7.755 -18.295 0.926 1.00 0.00 H new ATOM 0 HA ILE A 67 7.631 -16.211 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 67 5.845 -18.669 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.152 -19.103 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.718 -18.550 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.972 -18.515 -3.302 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.298 -17.033 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.983 -17.058 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.563 -20.991 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.408 -20.321 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.834 -20.884 -1.386 1.00 0.00 H new ATOM 1014 N ASN A 68 5.646 -14.857 -0.321 1.00 0.00 N ATOM 1015 CA ASN A 68 4.464 -14.052 -0.035 1.00 0.00 C ATOM 1016 C ASN A 68 3.683 -13.752 -1.312 1.00 0.00 C ATOM 1017 O ASN A 68 4.181 -13.959 -2.418 1.00 0.00 O ATOM 1018 CB ASN A 68 4.862 -12.752 0.661 1.00 0.00 C ATOM 1019 CG ASN A 68 6.251 -12.820 1.265 1.00 0.00 C ATOM 1020 OD1 ASN A 68 6.411 -13.113 2.450 1.00 0.00 O ATOM 1021 ND2 ASN A 68 7.265 -12.549 0.451 1.00 0.00 N ATOM 0 H ASN A 68 6.427 -14.334 -0.716 1.00 0.00 H new ATOM 0 HA ASN A 68 3.818 -14.624 0.631 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.821 -11.932 -0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.139 -12.527 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.222 -12.579 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.086 -12.311 -0.525 1.00 0.00 H new ATOM 1028 N ASN A 69 2.446 -13.296 -1.147 1.00 0.00 N ATOM 1029 CA ASN A 69 1.564 -13.020 -2.277 1.00 0.00 C ATOM 1030 C ASN A 69 1.957 -11.757 -3.046 1.00 0.00 C ATOM 1031 O ASN A 69 2.467 -11.837 -4.164 1.00 0.00 O ATOM 1032 CB ASN A 69 0.119 -12.894 -1.791 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.884 -13.322 -2.843 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -0.842 -12.859 -3.983 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -1.794 -14.213 -2.465 1.00 0.00 N ATOM 0 H ASN A 69 2.029 -13.108 -0.235 1.00 0.00 H new ATOM 0 HA ASN A 69 1.662 -13.860 -2.965 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.015 -13.502 -0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.077 -11.860 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.495 -14.540 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.792 -14.570 -1.510 1.00 0.00 H new ATOM 1042 N ILE A 70 1.646 -10.597 -2.469 1.00 0.00 N ATOM 1043 CA ILE A 70 1.862 -9.309 -3.136 1.00 0.00 C ATOM 1044 C ILE A 70 3.235 -9.205 -3.818 1.00 0.00 C ATOM 1045 O ILE A 70 3.308 -8.874 -5.003 1.00 0.00 O ATOM 1046 CB ILE A 70 1.671 -8.109 -2.176 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.612 -8.414 -1.107 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.279 -6.866 -2.962 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.711 -8.891 -1.672 1.00 0.00 C ATOM 0 H ILE A 70 1.241 -10.521 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 70 1.097 -9.265 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 70 2.619 -7.928 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.002 -9.174 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.440 -7.516 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.147 -6.029 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.063 -6.627 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.345 -7.051 -3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.406 -9.086 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.125 -8.124 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.554 -9.807 -2.241 1.00 0.00 H new ATOM 1061 N PRO A 71 4.344 -9.463 -3.096 1.00 0.00 N ATOM 1062 CA PRO A 71 5.692 -9.351 -3.673 1.00 0.00 C ATOM 1063 C PRO A 71 5.929 -10.318 -4.830 1.00 0.00 C ATOM 1064 O PRO A 71 6.575 -9.965 -5.818 1.00 0.00 O ATOM 1065 CB PRO A 71 6.624 -9.679 -2.501 1.00 0.00 C ATOM 1066 CG PRO A 71 5.773 -10.410 -1.523 1.00 0.00 C ATOM 1067 CD PRO A 71 4.389 -9.849 -1.676 1.00 0.00 C ATOM 0 HA PRO A 71 5.856 -8.362 -4.100 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.466 -10.291 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.040 -8.772 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.783 -11.482 -1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.140 -10.271 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.625 -10.588 -1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.225 -8.994 -1.020 1.00 0.00 H new ATOM 1075 N LEU A 72 5.418 -11.539 -4.704 1.00 0.00 N ATOM 1076 CA LEU A 72 5.593 -12.548 -5.743 1.00 0.00 C ATOM 1077 C LEU A 72 4.876 -12.145 -7.028 1.00 0.00 C ATOM 1078 O LEU A 72 5.211 -12.624 -8.111 1.00 0.00 O ATOM 1079 CB LEU A 72 5.071 -13.903 -5.265 1.00 0.00 C ATOM 1080 CG LEU A 72 5.583 -15.109 -6.054 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.897 -15.608 -5.476 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.543 -16.220 -6.060 1.00 0.00 C ATOM 0 H LEU A 72 4.881 -11.853 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 72 6.660 -12.628 -5.952 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.344 -14.031 -4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.982 -13.893 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 72 5.760 -14.798 -7.083 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.245 -16.466 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.641 -14.813 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.749 -15.903 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.923 -17.071 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.335 -16.529 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.625 -15.857 -6.523 1.00 0.00 H new ATOM 1094 N ASP A 73 3.887 -11.269 -6.899 1.00 0.00 N ATOM 1095 CA ASP A 73 3.121 -10.809 -8.051 1.00 0.00 C ATOM 1096 C ASP A 73 3.970 -9.914 -8.945 1.00 0.00 C ATOM 1097 O ASP A 73 4.164 -10.204 -10.125 1.00 0.00 O ATOM 1098 CB ASP A 73 1.870 -10.059 -7.591 1.00 0.00 C ATOM 1099 CG ASP A 73 0.667 -10.972 -7.461 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.837 -12.114 -6.986 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.446 -10.545 -7.833 1.00 0.00 O ATOM 0 H ASP A 73 3.597 -10.863 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 73 2.818 -11.682 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.067 -9.583 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.644 -9.263 -8.301 1.00 0.00 H new ATOM 1106 N ALA A 74 4.478 -8.827 -8.374 1.00 0.00 N ATOM 1107 CA ALA A 74 5.319 -7.898 -9.119 1.00 0.00 C ATOM 1108 C ALA A 74 6.566 -8.599 -9.644 1.00 0.00 C ATOM 1109 O ALA A 74 6.976 -8.388 -10.786 1.00 0.00 O ATOM 1110 CB ALA A 74 5.697 -6.715 -8.244 1.00 0.00 C ATOM 0 H ALA A 74 4.322 -8.568 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 74 4.754 -7.531 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.325 -6.028 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.793 -6.198 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.244 -7.069 -7.370 1.00 0.00 H new ATOM 1116 N ARG A 75 7.151 -9.453 -8.810 1.00 0.00 N ATOM 1117 CA ARG A 75 8.346 -10.198 -9.188 1.00 0.00 C ATOM 1118 C ARG A 75 8.060 -11.137 -10.357 1.00 0.00 C ATOM 1119 O ARG A 75 8.936 -11.401 -11.180 1.00 0.00 O ATOM 1120 CB ARG A 75 8.872 -10.995 -7.991 1.00 0.00 C ATOM 1121 CG ARG A 75 10.008 -11.946 -8.339 1.00 0.00 C ATOM 1122 CD ARG A 75 10.830 -12.305 -7.112 1.00 0.00 C ATOM 1123 NE ARG A 75 11.042 -13.746 -6.997 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.929 -14.421 -7.722 1.00 0.00 C ATOM 1125 NH1 ARG A 75 12.681 -13.790 -8.613 1.00 0.00 N ATOM 1126 NH2 ARG A 75 12.063 -15.731 -7.558 1.00 0.00 N ATOM 0 H ARG A 75 6.816 -9.646 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 75 9.106 -9.483 -9.503 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.215 -10.299 -7.225 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.051 -11.567 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.600 -12.854 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.652 -11.486 -9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.794 -11.800 -7.161 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.324 -11.941 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 75 10.478 -14.263 -6.323 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.580 -12.783 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.360 -14.311 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.485 -16.221 -6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.744 -16.248 -8.115 1.00 0.00 H new ATOM 1140 N ASN A 76 6.829 -11.636 -10.423 1.00 0.00 N ATOM 1141 CA ASN A 76 6.430 -12.547 -11.489 1.00 0.00 C ATOM 1142 C ASN A 76 6.643 -11.909 -12.858 1.00 0.00 C ATOM 1143 O ASN A 76 7.491 -12.353 -13.635 1.00 0.00 O ATOM 1144 CB ASN A 76 4.964 -12.951 -11.325 1.00 0.00 C ATOM 1145 CG ASN A 76 4.734 -14.422 -11.612 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.040 -14.910 -12.699 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.190 -15.137 -10.635 1.00 0.00 N ATOM 0 H ASN A 76 6.092 -11.424 -9.751 1.00 0.00 H new ATOM 0 HA ASN A 76 7.054 -13.438 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.640 -12.727 -10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.348 -12.352 -11.996 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.010 -16.132 -10.770 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.952 -14.692 -9.749 1.00 0.00 H new ATOM 1154 N HIS A 77 5.873 -10.865 -13.148 1.00 0.00 N ATOM 1155 CA HIS A 77 5.984 -10.164 -14.422 1.00 0.00 C ATOM 1156 C HIS A 77 7.268 -9.343 -14.480 1.00 0.00 C ATOM 1157 O HIS A 77 8.148 -9.610 -15.298 1.00 0.00 O ATOM 1158 CB HIS A 77 4.774 -9.254 -14.637 1.00 0.00 C ATOM 1159 CG HIS A 77 3.772 -9.807 -15.601 1.00 0.00 C ATOM 1160 ND1 HIS A 77 4.165 -10.431 -16.763 1.00 0.00 N ATOM 1161 CD2 HIS A 77 2.419 -9.806 -15.534 1.00 0.00 C ATOM 1162 CE1 HIS A 77 3.050 -10.792 -17.372 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.969 -10.435 -16.666 1.00 0.00 N ATOM 0 H HIS A 77 5.166 -10.486 -12.518 1.00 0.00 H new ATOM 0 HA HIS A 77 6.013 -10.910 -15.216 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.286 -9.080 -13.678 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.118 -8.285 -14.999 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.813 -9.390 -14.743 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.014 -11.310 -18.319 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.996 -10.600 -16.922 1.00 0.00 H new ATOM 1171 N GLY A 78 7.369 -8.345 -13.607 1.00 0.00 N ATOM 1172 CA GLY A 78 8.554 -7.508 -13.573 1.00 0.00 C ATOM 1173 C GLY A 78 8.303 -6.169 -12.909 1.00 0.00 C ATOM 1174 O GLY A 78 7.695 -5.276 -13.498 1.00 0.00 O ATOM 0 H GLY A 78 6.652 -8.102 -12.924 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.348 -8.031 -13.040 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.908 -7.344 -14.591 1.00 0.00 H new ATOM 1178 N TYR A 79 8.789 -6.032 -11.681 1.00 0.00 N ATOM 1179 CA TYR A 79 8.614 -4.808 -10.911 1.00 0.00 C ATOM 1180 C TYR A 79 9.766 -3.835 -11.140 1.00 0.00 C ATOM 1181 O TYR A 79 10.548 -3.981 -12.079 1.00 0.00 O ATOM 1182 CB TYR A 79 8.551 -5.155 -9.426 1.00 0.00 C ATOM 1183 CG TYR A 79 9.804 -5.849 -8.929 1.00 0.00 C ATOM 1184 CD1 TYR A 79 10.880 -5.119 -8.439 1.00 0.00 C ATOM 1185 CD2 TYR A 79 9.919 -7.232 -8.973 1.00 0.00 C ATOM 1186 CE1 TYR A 79 12.033 -5.747 -8.005 1.00 0.00 C ATOM 1187 CE2 TYR A 79 11.064 -7.869 -8.535 1.00 0.00 C ATOM 1188 CZ TYR A 79 12.117 -7.123 -8.051 1.00 0.00 C ATOM 1189 OH TYR A 79 13.259 -7.753 -7.610 1.00 0.00 O ATOM 0 H TYR A 79 9.311 -6.761 -11.195 1.00 0.00 H new ATOM 0 HA TYR A 79 7.689 -4.332 -11.237 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.395 -4.242 -8.851 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.689 -5.797 -9.244 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.815 -4.042 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.099 -7.820 -9.357 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.862 -5.164 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.134 -8.946 -8.572 1.00 0.00 H new ATOM 0 HH TYR A 79 13.157 -8.723 -7.709 1.00 0.00 H new ATOM 1199 N THR A 80 9.877 -2.864 -10.238 1.00 0.00 N ATOM 1200 CA THR A 80 10.963 -1.895 -10.265 1.00 0.00 C ATOM 1201 C THR A 80 11.827 -2.070 -9.021 1.00 0.00 C ATOM 1202 O THR A 80 13.032 -2.306 -9.113 1.00 0.00 O ATOM 1203 CB THR A 80 10.409 -0.472 -10.328 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.263 -0.421 -11.160 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.403 0.540 -10.853 1.00 0.00 C ATOM 0 H THR A 80 9.218 -2.729 -9.471 1.00 0.00 H new ATOM 0 HA THR A 80 11.570 -2.064 -11.154 1.00 0.00 H new ATOM 0 HB THR A 80 10.166 -0.211 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.493 -0.111 -10.638 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.942 1.528 -10.870 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.279 0.560 -10.205 1.00 0.00 H new ATOM 0 HG23 THR A 80 11.705 0.263 -11.863 1.00 0.00 H new ATOM 1213 N VAL A 81 11.181 -2.011 -7.857 1.00 0.00 N ATOM 1214 CA VAL A 81 11.857 -2.216 -6.581 1.00 0.00 C ATOM 1215 C VAL A 81 10.976 -3.034 -5.637 1.00 0.00 C ATOM 1216 O VAL A 81 9.913 -2.580 -5.218 1.00 0.00 O ATOM 1217 CB VAL A 81 12.221 -0.881 -5.904 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.097 -1.121 -4.684 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.911 0.052 -6.886 1.00 0.00 C ATOM 0 H VAL A 81 10.182 -1.821 -7.774 1.00 0.00 H new ATOM 0 HA VAL A 81 12.779 -2.758 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 81 11.298 -0.403 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.344 -0.166 -4.220 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.561 -1.745 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.015 -1.624 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.159 0.988 -6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.825 -0.416 -7.252 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.245 0.254 -7.725 1.00 0.00 H new ATOM 1229 N LEU A 82 11.424 -4.243 -5.310 1.00 0.00 N ATOM 1230 CA LEU A 82 10.674 -5.138 -4.432 1.00 0.00 C ATOM 1231 C LEU A 82 11.514 -5.544 -3.223 1.00 0.00 C ATOM 1232 O LEU A 82 12.398 -6.394 -3.327 1.00 0.00 O ATOM 1233 CB LEU A 82 10.244 -6.397 -5.201 1.00 0.00 C ATOM 1234 CG LEU A 82 8.748 -6.505 -5.526 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.963 -6.896 -4.283 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.222 -5.200 -6.099 1.00 0.00 C ATOM 0 H LEU A 82 12.308 -4.628 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 82 9.790 -4.605 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.803 -6.437 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.534 -7.272 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 82 8.618 -7.282 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.904 -6.969 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.317 -7.860 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.105 -6.140 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.160 -5.302 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.366 -4.400 -5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.763 -4.961 -7.015 1.00 0.00 H new ATOM 1248 N ASP A 83 11.232 -4.930 -2.076 1.00 0.00 N ATOM 1249 CA ASP A 83 11.957 -5.233 -0.847 1.00 0.00 C ATOM 1250 C ASP A 83 10.992 -5.653 0.257 1.00 0.00 C ATOM 1251 O ASP A 83 9.833 -5.242 0.264 1.00 0.00 O ATOM 1252 CB ASP A 83 12.770 -4.018 -0.395 1.00 0.00 C ATOM 1253 CG ASP A 83 13.376 -3.261 -1.560 1.00 0.00 C ATOM 1254 OD1 ASP A 83 13.990 -3.908 -2.434 1.00 0.00 O ATOM 1255 OD2 ASP A 83 13.236 -2.021 -1.598 1.00 0.00 O ATOM 0 H ASP A 83 10.507 -4.220 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 83 12.638 -6.060 -1.048 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.128 -3.347 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.565 -4.345 0.275 1.00 0.00 H new ATOM 1260 N ILE A 84 11.471 -6.481 1.179 1.00 0.00 N ATOM 1261 CA ILE A 84 10.636 -6.958 2.277 1.00 0.00 C ATOM 1262 C ILE A 84 11.383 -6.913 3.607 1.00 0.00 C ATOM 1263 O ILE A 84 12.606 -6.779 3.642 1.00 0.00 O ATOM 1264 CB ILE A 84 10.140 -8.397 2.028 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.295 -9.394 2.161 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.494 -8.511 0.656 1.00 0.00 C ATOM 1267 CD1 ILE A 84 10.848 -10.839 2.197 1.00 0.00 C ATOM 0 H ILE A 84 12.428 -6.835 1.189 1.00 0.00 H new ATOM 0 HA ILE A 84 9.777 -6.289 2.326 1.00 0.00 H new ATOM 0 HB ILE A 84 9.390 -8.636 2.782 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.981 -9.256 1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.852 -9.172 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.151 -9.534 0.499 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.645 -7.830 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.223 -8.251 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.719 -11.487 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.186 -10.994 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.317 -11.079 1.276 1.00 0.00 H new ATOM 1279 N GLN A 85 10.631 -7.029 4.698 1.00 0.00 N ATOM 1280 CA GLN A 85 11.209 -7.019 6.038 1.00 0.00 C ATOM 1281 C GLN A 85 10.308 -7.763 7.019 1.00 0.00 C ATOM 1282 O GLN A 85 9.117 -7.943 6.767 1.00 0.00 O ATOM 1283 CB GLN A 85 11.427 -5.582 6.513 1.00 0.00 C ATOM 1284 CG GLN A 85 12.712 -5.392 7.303 1.00 0.00 C ATOM 1285 CD GLN A 85 13.182 -3.951 7.319 1.00 0.00 C ATOM 1286 OE1 GLN A 85 13.519 -3.407 8.370 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.205 -3.324 6.148 1.00 0.00 N ATOM 0 H GLN A 85 9.616 -7.131 4.680 1.00 0.00 H new ATOM 0 HA GLN A 85 12.172 -7.527 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.441 -4.920 5.647 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.582 -5.280 7.131 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.557 -5.731 8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.493 -6.020 6.874 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.917 -3.814 5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.511 -2.352 6.096 1.00 0.00 H new ATOM 1296 N GLN A 86 10.882 -8.188 8.140 1.00 0.00 N ATOM 1297 CA GLN A 86 10.129 -8.911 9.159 1.00 0.00 C ATOM 1298 C GLN A 86 10.269 -8.237 10.520 1.00 0.00 C ATOM 1299 O GLN A 86 11.253 -7.546 10.779 1.00 0.00 O ATOM 1300 CB GLN A 86 10.614 -10.359 9.245 1.00 0.00 C ATOM 1301 CG GLN A 86 9.502 -11.361 9.505 1.00 0.00 C ATOM 1302 CD GLN A 86 9.935 -12.791 9.249 1.00 0.00 C ATOM 1303 OE1 GLN A 86 9.709 -13.678 10.073 1.00 0.00 O ATOM 1304 NE2 GLN A 86 10.565 -13.022 8.103 1.00 0.00 N ATOM 0 H GLN A 86 11.866 -8.044 8.366 1.00 0.00 H new ATOM 0 HA GLN A 86 9.077 -8.901 8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.116 -10.621 8.314 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.355 -10.438 10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.166 -11.266 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.649 -11.124 8.870 1.00 0.00 H new ATOM 0 HE21 GLN A 86 10.731 -12.257 7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.883 -13.964 7.877 1.00 0.00 H new ATOM 1313 N ASP A 87 9.280 -8.443 11.386 1.00 0.00 N ATOM 1314 CA ASP A 87 9.303 -7.855 12.721 1.00 0.00 C ATOM 1315 C ASP A 87 9.232 -8.940 13.792 1.00 0.00 C ATOM 1316 O ASP A 87 10.258 -9.390 14.302 1.00 0.00 O ATOM 1317 CB ASP A 87 8.141 -6.873 12.890 1.00 0.00 C ATOM 1318 CG ASP A 87 8.451 -5.507 12.312 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.334 -4.815 12.862 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.812 -5.128 11.307 1.00 0.00 O ATOM 0 H ASP A 87 8.456 -9.011 11.188 1.00 0.00 H new ATOM 0 HA ASP A 87 10.242 -7.315 12.839 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.253 -7.277 12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.906 -6.771 13.949 1.00 0.00 H new ATOM 1325 N GLY A 88 8.015 -9.359 14.121 1.00 0.00 N ATOM 1326 CA GLY A 88 7.830 -10.400 15.115 1.00 0.00 C ATOM 1327 C GLY A 88 6.959 -11.529 14.599 1.00 0.00 C ATOM 1328 O GLY A 88 7.401 -12.321 13.766 1.00 0.00 O ATOM 0 H GLY A 88 7.152 -8.996 13.716 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.801 -10.797 15.409 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.377 -9.972 16.009 1.00 0.00 H new ATOM 1332 N PRO A 89 5.697 -11.619 15.057 1.00 0.00 N ATOM 1333 CA PRO A 89 4.772 -12.657 14.608 1.00 0.00 C ATOM 1334 C PRO A 89 4.126 -12.310 13.272 1.00 0.00 C ATOM 1335 O PRO A 89 3.156 -12.946 12.858 1.00 0.00 O ATOM 1336 CB PRO A 89 3.727 -12.682 15.719 1.00 0.00 C ATOM 1337 CG PRO A 89 3.684 -11.280 16.225 1.00 0.00 C ATOM 1338 CD PRO A 89 5.072 -10.716 16.046 1.00 0.00 C ATOM 0 HA PRO A 89 5.266 -13.614 14.443 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.754 -12.997 15.342 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.004 -13.380 16.509 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.952 -10.691 15.673 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.388 -11.255 17.274 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.042 -9.688 15.685 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.625 -10.708 16.986 1.00 0.00 H new ATOM 1346 N THR A 90 4.664 -11.292 12.606 1.00 0.00 N ATOM 1347 CA THR A 90 4.137 -10.859 11.317 1.00 0.00 C ATOM 1348 C THR A 90 5.264 -10.476 10.367 1.00 0.00 C ATOM 1349 O THR A 90 6.443 -10.537 10.724 1.00 0.00 O ATOM 1350 CB THR A 90 3.189 -9.672 11.501 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.804 -8.654 12.272 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.889 -10.041 12.180 1.00 0.00 C ATOM 0 H THR A 90 5.464 -10.753 12.938 1.00 0.00 H new ATOM 0 HA THR A 90 3.586 -11.693 10.882 1.00 0.00 H new ATOM 0 HB THR A 90 2.965 -9.324 10.493 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.183 -7.903 12.377 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.265 -9.153 12.278 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.366 -10.788 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.098 -10.449 13.169 1.00 0.00 H new ATOM 1360 N ILE A 91 4.892 -10.077 9.158 1.00 0.00 N ATOM 1361 CA ILE A 91 5.862 -9.682 8.146 1.00 0.00 C ATOM 1362 C ILE A 91 5.293 -8.577 7.260 1.00 0.00 C ATOM 1363 O ILE A 91 4.096 -8.554 6.974 1.00 0.00 O ATOM 1364 CB ILE A 91 6.276 -10.884 7.275 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.397 -10.486 6.312 1.00 0.00 C ATOM 1366 CG2 ILE A 91 5.072 -11.427 6.515 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.063 -11.664 5.633 1.00 0.00 C ATOM 0 H ILE A 91 3.920 -10.018 8.853 1.00 0.00 H new ATOM 0 HA ILE A 91 6.745 -9.307 8.663 1.00 0.00 H new ATOM 0 HB ILE A 91 6.653 -11.674 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.990 -9.821 5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.151 -9.920 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.380 -12.276 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.309 -11.748 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.665 -10.646 5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.846 -11.304 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.500 -12.319 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.322 -12.218 5.057 1.00 0.00 H new ATOM 1379 N ARG A 92 6.151 -7.652 6.843 1.00 0.00 N ATOM 1380 CA ARG A 92 5.719 -6.534 6.015 1.00 0.00 C ATOM 1381 C ARG A 92 6.639 -6.353 4.810 1.00 0.00 C ATOM 1382 O ARG A 92 7.862 -6.387 4.938 1.00 0.00 O ATOM 1383 CB ARG A 92 5.677 -5.252 6.860 1.00 0.00 C ATOM 1384 CG ARG A 92 5.989 -3.981 6.084 1.00 0.00 C ATOM 1385 CD ARG A 92 6.960 -3.090 6.843 1.00 0.00 C ATOM 1386 NE ARG A 92 6.302 -2.344 7.913 1.00 0.00 N ATOM 1387 CZ ARG A 92 5.867 -1.095 7.782 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.015 -0.453 6.630 1.00 0.00 N ATOM 1389 NH2 ARG A 92 5.281 -0.486 8.803 1.00 0.00 N ATOM 0 H ARG A 92 7.147 -7.655 7.064 1.00 0.00 H new ATOM 0 HA ARG A 92 4.719 -6.747 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.687 -5.157 7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.389 -5.347 7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.413 -4.240 5.114 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.066 -3.434 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.757 -3.701 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.428 -2.391 6.149 1.00 0.00 H new ATOM 0 HE ARG A 92 6.169 -2.808 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.464 -0.918 5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 92 5.680 0.505 6.534 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.164 -0.976 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.947 0.473 8.702 1.00 0.00 H new ATOM 1403 N TYR A 93 6.036 -6.120 3.648 1.00 0.00 N ATOM 1404 CA TYR A 93 6.787 -5.902 2.418 1.00 0.00 C ATOM 1405 C TYR A 93 6.416 -4.556 1.807 1.00 0.00 C ATOM 1406 O TYR A 93 5.378 -3.980 2.134 1.00 0.00 O ATOM 1407 CB TYR A 93 6.516 -7.024 1.406 1.00 0.00 C ATOM 1408 CG TYR A 93 5.791 -8.224 1.980 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.397 -9.048 2.919 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.506 -8.546 1.560 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.735 -10.145 3.436 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.838 -9.639 2.075 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.455 -10.433 3.015 1.00 0.00 C ATOM 1414 OH TYR A 93 3.795 -11.527 3.525 1.00 0.00 O ATOM 0 H TYR A 93 5.023 -6.077 3.533 1.00 0.00 H new ATOM 0 HA TYR A 93 7.849 -5.905 2.664 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.928 -6.619 0.582 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.466 -7.355 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.401 -8.828 3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.021 -7.930 0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.219 -10.775 4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.837 -9.870 1.742 1.00 0.00 H new ATOM 0 HH TYR A 93 2.903 -11.587 3.124 1.00 0.00 H new ATOM 1424 N LEU A 94 7.284 -4.040 0.944 1.00 0.00 N ATOM 1425 CA LEU A 94 7.048 -2.748 0.304 1.00 0.00 C ATOM 1426 C LEU A 94 7.770 -2.655 -1.035 1.00 0.00 C ATOM 1427 O LEU A 94 8.852 -3.217 -1.210 1.00 0.00 O ATOM 1428 CB LEU A 94 7.506 -1.609 1.216 1.00 0.00 C ATOM 1429 CG LEU A 94 8.637 -1.965 2.181 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.610 -0.803 2.315 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.072 -2.350 3.540 1.00 0.00 C ATOM 0 H LEU A 94 8.156 -4.494 0.671 1.00 0.00 H new ATOM 0 HA LEU A 94 5.977 -2.658 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.829 -0.774 0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.651 -1.262 1.796 1.00 0.00 H new ATOM 0 HG LEU A 94 9.180 -2.820 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.408 -1.075 3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.037 -0.572 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.082 0.071 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.889 -2.601 4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.506 -1.513 3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.415 -3.213 3.430 1.00 0.00 H new ATOM 1443 N ILE A 95 7.162 -1.939 -1.973 1.00 0.00 N ATOM 1444 CA ILE A 95 7.745 -1.759 -3.298 1.00 0.00 C ATOM 1445 C ILE A 95 7.713 -0.290 -3.705 1.00 0.00 C ATOM 1446 O ILE A 95 6.952 0.499 -3.146 1.00 0.00 O ATOM 1447 CB ILE A 95 7.023 -2.625 -4.362 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.040 -1.790 -5.193 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.292 -3.782 -3.695 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.600 -1.341 -6.525 1.00 0.00 C ATOM 0 H ILE A 95 6.264 -1.473 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 95 8.783 -2.089 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 95 7.781 -3.022 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.137 -2.375 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.746 -0.912 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.790 -4.381 -4.454 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.008 -4.403 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.554 -3.391 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.849 -0.756 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.487 -0.729 -6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.868 -2.214 -7.120 1.00 0.00 H new ATOM 1462 N GLN A 96 8.544 0.073 -4.677 1.00 0.00 N ATOM 1463 CA GLN A 96 8.604 1.450 -5.150 1.00 0.00 C ATOM 1464 C GLN A 96 9.089 1.520 -6.593 1.00 0.00 C ATOM 1465 O GLN A 96 9.787 0.624 -7.071 1.00 0.00 O ATOM 1466 CB GLN A 96 9.530 2.275 -4.252 1.00 0.00 C ATOM 1467 CG GLN A 96 11.002 1.933 -4.416 1.00 0.00 C ATOM 1468 CD GLN A 96 11.839 3.134 -4.812 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.580 3.777 -5.828 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.849 3.441 -4.007 1.00 0.00 N ATOM 0 H GLN A 96 9.183 -0.566 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 96 7.596 1.862 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.385 3.333 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.244 2.122 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.382 1.522 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.108 1.155 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.027 2.879 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.447 4.239 -4.221 1.00 0.00 H new ATOM 1479 N LYS A 97 8.736 2.607 -7.272 1.00 0.00 N ATOM 1480 CA LYS A 97 9.152 2.818 -8.655 1.00 0.00 C ATOM 1481 C LYS A 97 9.902 4.140 -8.794 1.00 0.00 C ATOM 1482 O LYS A 97 10.890 4.181 -9.556 1.00 0.00 O ATOM 1483 CB LYS A 97 7.936 2.801 -9.588 1.00 0.00 C ATOM 1484 CG LYS A 97 8.195 3.427 -10.952 1.00 0.00 C ATOM 1485 CD LYS A 97 8.496 2.372 -12.005 1.00 0.00 C ATOM 1486 CE LYS A 97 9.147 2.983 -13.235 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.454 3.620 -12.916 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.496 5.120 -8.136 1.00 0.00 O ATOM 0 H LYS A 97 8.162 3.357 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 97 9.822 2.006 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.613 1.770 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.114 3.330 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.325 4.008 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.033 4.121 -10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.154 1.613 -11.583 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.573 1.869 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.295 2.210 -13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.478 3.726 -13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.361 4.654 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.743 3.356 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.173 3.296 -13.594 1.00 0.00 H new TER 1502 LYS A 97