USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 996 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 94 ASN : amide:sc= -2.26! C(o=-2!,f=-3.3!) USER MOD Set 1.2: A 113 SER OG : rot 68:sc= 0.265 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0963 (180deg=0) USER MOD Single : A 2 SER OG : rot -40:sc= 0.0354 USER MOD Single : A 3 SER OG : rot 31:sc= 0.242 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 HIS : no HE2:sc= -0.158 K(o=-0.16,f=-3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.21) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= -0.0355 (180deg=-0.263) USER MOD Single : A 14 HIS : no HD1:sc= -0.016 X(o=-0.016,f=-0.025) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.04 K(o=-1,f=-5.4!) USER MOD Single : A 21 SER OG : rot 170:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.8) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0756 (180deg=-0.179) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -80:sc= -0.166! USER MOD Single : A 49 MET CE :methyl 153:sc= -1.49 (180deg=-1.78) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -167:sc= -1.34 (180deg=-1.48) USER MOD Single : A 60 THR OG1 : rot -84:sc= 0.437 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot -70:sc= -4.03! USER MOD Single : A 70 THR OG1 : rot -92:sc= 0.0205 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -140:sc= -0.717 USER MOD Single : A 80 THR OG1 : rot -76:sc= -0.0975 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -2.9 F(o=-4.1!,f=-2.9) USER MOD Single : A 99 GLN : amide:sc= -0.0583 K(o=-0.058,f=-0.56) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0.839 K(o=0.84,f=-0.0038) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.481 X(o=-0.48,f=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot -13:sc= 0.761! USER MOD Single : A 129 SER OG : rot 180:sc=-0.00392 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.829 -17.354 -25.383 1.00 0.00 N ATOM 2 CA GLY A 1 -30.238 -17.222 -24.063 1.00 0.00 C ATOM 3 C GLY A 1 -30.961 -16.151 -23.243 1.00 0.00 C ATOM 4 O GLY A 1 -32.060 -15.728 -23.599 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.885 -18.360 -25.639 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.785 -16.944 -25.378 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.241 -16.852 -26.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.286 -18.178 -23.542 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.183 -16.963 -24.157 1.00 0.00 H new ATOM 8 N SER A 2 -30.316 -15.744 -22.160 1.00 0.00 N ATOM 9 CA SER A 2 -30.883 -14.731 -21.287 1.00 0.00 C ATOM 10 C SER A 2 -32.184 -15.244 -20.667 1.00 0.00 C ATOM 11 O SER A 2 -33.271 -14.944 -21.158 1.00 0.00 O ATOM 12 CB SER A 2 -31.136 -13.427 -22.047 1.00 0.00 C ATOM 13 OG SER A 2 -30.998 -12.285 -21.207 1.00 0.00 O ATOM 0 H SER A 2 -29.405 -16.098 -21.867 1.00 0.00 H new ATOM 0 HA SER A 2 -30.166 -14.524 -20.493 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.437 -13.351 -22.880 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.139 -13.444 -22.473 1.00 0.00 H new ATOM 0 HG SER A 2 -31.383 -12.478 -20.327 1.00 0.00 H new ATOM 19 N SER A 3 -32.031 -16.010 -19.596 1.00 0.00 N ATOM 20 CA SER A 3 -33.180 -16.567 -18.903 1.00 0.00 C ATOM 21 C SER A 3 -33.179 -16.117 -17.441 1.00 0.00 C ATOM 22 O SER A 3 -32.214 -16.354 -16.716 1.00 0.00 O ATOM 23 CB SER A 3 -33.186 -18.095 -18.989 1.00 0.00 C ATOM 24 OG SER A 3 -32.023 -18.667 -18.398 1.00 0.00 O ATOM 0 H SER A 3 -31.128 -16.258 -19.191 1.00 0.00 H new ATOM 0 HA SER A 3 -34.084 -16.199 -19.388 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.074 -18.483 -18.490 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.249 -18.399 -20.034 1.00 0.00 H new ATOM 0 HG SER A 3 -31.714 -18.096 -17.664 1.00 0.00 H new ATOM 30 N GLY A 4 -34.271 -15.476 -17.052 1.00 0.00 N ATOM 31 CA GLY A 4 -34.408 -14.991 -15.689 1.00 0.00 C ATOM 32 C GLY A 4 -34.307 -13.465 -15.637 1.00 0.00 C ATOM 33 O GLY A 4 -35.255 -12.790 -15.240 1.00 0.00 O ATOM 0 H GLY A 4 -35.069 -15.281 -17.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.367 -15.310 -15.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.632 -15.432 -15.063 1.00 0.00 H new ATOM 37 N SER A 5 -33.149 -12.967 -16.045 1.00 0.00 N ATOM 38 CA SER A 5 -32.911 -11.533 -16.050 1.00 0.00 C ATOM 39 C SER A 5 -32.637 -11.054 -17.477 1.00 0.00 C ATOM 40 O SER A 5 -31.923 -11.714 -18.231 1.00 0.00 O ATOM 41 CB SER A 5 -31.744 -11.165 -15.133 1.00 0.00 C ATOM 42 OG SER A 5 -32.032 -10.019 -14.337 1.00 0.00 O ATOM 0 H SER A 5 -32.365 -13.531 -16.374 1.00 0.00 H new ATOM 0 HA SER A 5 -33.805 -11.036 -15.672 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.513 -12.009 -14.483 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.856 -10.974 -15.735 1.00 0.00 H new ATOM 0 HG SER A 5 -31.263 -9.817 -13.764 1.00 0.00 H new ATOM 48 N SER A 6 -33.217 -9.909 -17.804 1.00 0.00 N ATOM 49 CA SER A 6 -33.044 -9.333 -19.127 1.00 0.00 C ATOM 50 C SER A 6 -33.194 -7.812 -19.060 1.00 0.00 C ATOM 51 O SER A 6 -34.121 -7.303 -18.432 1.00 0.00 O ATOM 52 CB SER A 6 -34.049 -9.921 -20.120 1.00 0.00 C ATOM 53 OG SER A 6 -35.393 -9.775 -19.669 1.00 0.00 O ATOM 0 H SER A 6 -33.808 -9.364 -17.176 1.00 0.00 H new ATOM 0 HA SER A 6 -32.041 -9.578 -19.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -33.935 -9.428 -21.086 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.831 -10.978 -20.274 1.00 0.00 H new ATOM 0 HG SER A 6 -36.004 -10.161 -20.331 1.00 0.00 H new ATOM 59 N GLY A 7 -32.267 -7.128 -19.715 1.00 0.00 N ATOM 60 CA GLY A 7 -32.284 -5.676 -19.737 1.00 0.00 C ATOM 61 C GLY A 7 -30.979 -5.104 -19.177 1.00 0.00 C ATOM 62 O GLY A 7 -30.863 -4.876 -17.974 1.00 0.00 O ATOM 0 H GLY A 7 -31.499 -7.553 -20.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.430 -5.326 -20.759 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.127 -5.310 -19.151 1.00 0.00 H new ATOM 66 N HIS A 8 -30.031 -4.888 -20.077 1.00 0.00 N ATOM 67 CA HIS A 8 -28.740 -4.347 -19.689 1.00 0.00 C ATOM 68 C HIS A 8 -28.792 -2.818 -19.726 1.00 0.00 C ATOM 69 O HIS A 8 -29.575 -2.238 -20.477 1.00 0.00 O ATOM 70 CB HIS A 8 -27.624 -4.924 -20.562 1.00 0.00 C ATOM 71 CG HIS A 8 -27.876 -4.796 -22.045 1.00 0.00 C ATOM 72 ND1 HIS A 8 -28.417 -3.658 -22.618 1.00 0.00 N ATOM 73 CD2 HIS A 8 -27.655 -5.674 -23.066 1.00 0.00 C ATOM 74 CE1 HIS A 8 -28.514 -3.854 -23.925 1.00 0.00 C ATOM 75 NE2 HIS A 8 -28.042 -5.103 -24.200 1.00 0.00 N ATOM 0 H HIS A 8 -30.131 -5.078 -21.074 1.00 0.00 H new ATOM 0 HA HIS A 8 -28.510 -4.643 -18.665 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -26.689 -4.420 -20.318 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -27.492 -5.978 -20.316 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -28.694 -2.812 -22.119 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -27.236 -6.665 -22.968 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -28.899 -3.148 -24.646 1.00 0.00 H new ATOM 83 N SER A 9 -27.947 -2.209 -18.907 1.00 0.00 N ATOM 84 CA SER A 9 -27.886 -0.759 -18.837 1.00 0.00 C ATOM 85 C SER A 9 -26.449 -0.284 -19.059 1.00 0.00 C ATOM 86 O SER A 9 -25.501 -1.031 -18.823 1.00 0.00 O ATOM 87 CB SER A 9 -28.413 -0.250 -17.494 1.00 0.00 C ATOM 88 OG SER A 9 -29.251 0.893 -17.647 1.00 0.00 O ATOM 0 H SER A 9 -27.299 -2.694 -18.286 1.00 0.00 H new ATOM 0 HA SER A 9 -28.521 -0.351 -19.623 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.971 -1.045 -16.999 1.00 0.00 H new ATOM 0 HB3 SER A 9 -27.573 0.001 -16.846 1.00 0.00 H new ATOM 0 HG SER A 9 -29.568 1.186 -16.767 1.00 0.00 H new ATOM 94 N HIS A 10 -26.333 0.957 -19.510 1.00 0.00 N ATOM 95 CA HIS A 10 -25.027 1.540 -19.766 1.00 0.00 C ATOM 96 C HIS A 10 -24.098 1.257 -18.584 1.00 0.00 C ATOM 97 O HIS A 10 -24.440 1.545 -17.438 1.00 0.00 O ATOM 98 CB HIS A 10 -25.151 3.033 -20.078 1.00 0.00 C ATOM 99 CG HIS A 10 -25.306 3.905 -18.856 1.00 0.00 C ATOM 100 ND1 HIS A 10 -26.401 3.828 -18.013 1.00 0.00 N ATOM 101 CD2 HIS A 10 -24.493 4.873 -18.342 1.00 0.00 C ATOM 102 CE1 HIS A 10 -26.244 4.714 -17.041 1.00 0.00 C ATOM 103 NE2 HIS A 10 -25.061 5.361 -17.247 1.00 0.00 N ATOM 0 H HIS A 10 -27.122 1.574 -19.704 1.00 0.00 H new ATOM 0 HA HIS A 10 -24.585 1.078 -20.649 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -24.267 3.353 -20.630 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -26.009 3.187 -20.733 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -23.547 5.189 -18.757 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.932 4.893 -16.228 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.676 6.098 -16.656 1.00 0.00 H new ATOM 111 N SER A 11 -22.940 0.697 -18.903 1.00 0.00 N ATOM 112 CA SER A 11 -21.959 0.372 -17.882 1.00 0.00 C ATOM 113 C SER A 11 -20.584 0.171 -18.522 1.00 0.00 C ATOM 114 O SER A 11 -20.153 -0.961 -18.734 1.00 0.00 O ATOM 115 CB SER A 11 -22.369 -0.880 -17.103 1.00 0.00 C ATOM 116 OG SER A 11 -22.390 -0.650 -15.696 1.00 0.00 O ATOM 0 H SER A 11 -22.659 0.460 -19.855 1.00 0.00 H new ATOM 0 HA SER A 11 -21.908 1.204 -17.180 1.00 0.00 H new ATOM 0 HB2 SER A 11 -23.356 -1.205 -17.432 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.675 -1.690 -17.328 1.00 0.00 H new ATOM 0 HG SER A 11 -22.658 -1.472 -15.234 1.00 0.00 H new ATOM 122 N ASP A 12 -19.933 1.288 -18.812 1.00 0.00 N ATOM 123 CA ASP A 12 -18.616 1.250 -19.423 1.00 0.00 C ATOM 124 C ASP A 12 -17.668 2.161 -18.641 1.00 0.00 C ATOM 125 O ASP A 12 -17.370 3.273 -19.076 1.00 0.00 O ATOM 126 CB ASP A 12 -18.665 1.748 -20.869 1.00 0.00 C ATOM 127 CG ASP A 12 -18.671 0.649 -21.933 1.00 0.00 C ATOM 128 OD1 ASP A 12 -19.770 0.108 -22.184 1.00 0.00 O ATOM 129 OD2 ASP A 12 -17.577 0.373 -22.470 1.00 0.00 O ATOM 0 H ASP A 12 -20.294 2.225 -18.635 1.00 0.00 H new ATOM 0 HA ASP A 12 -18.268 0.217 -19.409 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.558 2.360 -20.996 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.806 2.396 -21.043 1.00 0.00 H new ATOM 134 N LYS A 13 -17.220 1.657 -17.501 1.00 0.00 N ATOM 135 CA LYS A 13 -16.313 2.411 -16.654 1.00 0.00 C ATOM 136 C LYS A 13 -15.223 1.478 -16.122 1.00 0.00 C ATOM 137 O LYS A 13 -15.307 1.002 -14.991 1.00 0.00 O ATOM 138 CB LYS A 13 -17.087 3.141 -15.555 1.00 0.00 C ATOM 139 CG LYS A 13 -17.712 4.432 -16.089 1.00 0.00 C ATOM 140 CD LYS A 13 -17.116 5.658 -15.394 1.00 0.00 C ATOM 141 CE LYS A 13 -15.990 6.269 -16.230 1.00 0.00 C ATOM 142 NZ LYS A 13 -16.539 6.931 -17.435 1.00 0.00 N ATOM 0 H LYS A 13 -17.469 0.734 -17.144 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.813 3.189 -17.231 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.868 2.490 -15.162 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.418 3.372 -14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -17.547 4.503 -17.164 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.791 4.410 -15.933 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.896 6.402 -15.229 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.733 5.374 -14.414 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.436 6.992 -15.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.285 5.492 -16.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.866 7.648 -17.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.694 6.222 -18.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.443 7.388 -17.199 1.00 0.00 H new ATOM 156 N HIS A 14 -14.227 1.244 -16.963 1.00 0.00 N ATOM 157 CA HIS A 14 -13.122 0.376 -16.591 1.00 0.00 C ATOM 158 C HIS A 14 -12.679 0.692 -15.162 1.00 0.00 C ATOM 159 O HIS A 14 -12.770 1.836 -14.718 1.00 0.00 O ATOM 160 CB HIS A 14 -11.981 0.485 -17.604 1.00 0.00 C ATOM 161 CG HIS A 14 -12.373 0.117 -19.015 1.00 0.00 C ATOM 162 ND1 HIS A 14 -12.905 -1.117 -19.347 1.00 0.00 N ATOM 163 CD2 HIS A 14 -12.307 0.832 -20.174 1.00 0.00 C ATOM 164 CE1 HIS A 14 -13.143 -1.133 -20.650 1.00 0.00 C ATOM 165 NE2 HIS A 14 -12.771 0.076 -21.161 1.00 0.00 N ATOM 0 H HIS A 14 -14.162 1.640 -17.901 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.449 -0.664 -16.610 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.601 1.507 -17.599 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -11.163 -0.161 -17.285 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.939 1.843 -20.272 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.558 -1.958 -21.209 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.838 0.353 -22.140 1.00 0.00 H new ATOM 173 N PRO A 15 -12.197 -0.369 -14.461 1.00 0.00 N ATOM 174 CA PRO A 15 -11.739 -0.216 -13.091 1.00 0.00 C ATOM 175 C PRO A 15 -10.377 0.479 -13.042 1.00 0.00 C ATOM 176 O PRO A 15 -10.111 1.268 -12.136 1.00 0.00 O ATOM 177 CB PRO A 15 -11.706 -1.627 -12.527 1.00 0.00 C ATOM 178 CG PRO A 15 -11.697 -2.557 -13.730 1.00 0.00 C ATOM 179 CD PRO A 15 -12.074 -1.738 -14.954 1.00 0.00 C ATOM 0 HA PRO A 15 -12.395 0.421 -12.497 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.821 -1.780 -11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -12.574 -1.815 -11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.712 -3.005 -13.859 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.403 -3.375 -13.586 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.312 -1.812 -15.730 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.010 -2.087 -15.391 1.00 0.00 H new ATOM 187 N VAL A 16 -9.551 0.162 -14.027 1.00 0.00 N ATOM 188 CA VAL A 16 -8.223 0.747 -14.108 1.00 0.00 C ATOM 189 C VAL A 16 -8.214 1.835 -15.183 1.00 0.00 C ATOM 190 O VAL A 16 -9.016 1.799 -16.115 1.00 0.00 O ATOM 191 CB VAL A 16 -7.183 -0.348 -14.357 1.00 0.00 C ATOM 192 CG1 VAL A 16 -7.416 -1.545 -13.434 1.00 0.00 C ATOM 193 CG2 VAL A 16 -7.183 -0.780 -15.825 1.00 0.00 C ATOM 0 H VAL A 16 -9.775 -0.493 -14.776 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.957 1.221 -13.163 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.200 0.065 -14.129 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.664 -2.309 -13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.343 -1.223 -12.395 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.408 -1.958 -13.617 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.435 -1.559 -15.975 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.167 -1.166 -16.091 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.947 0.077 -16.456 1.00 0.00 H new ATOM 203 N THR A 17 -7.299 2.778 -15.018 1.00 0.00 N ATOM 204 CA THR A 17 -7.175 3.875 -15.962 1.00 0.00 C ATOM 205 C THR A 17 -5.730 4.374 -16.014 1.00 0.00 C ATOM 206 O THR A 17 -5.183 4.810 -15.002 1.00 0.00 O ATOM 207 CB THR A 17 -8.178 4.959 -15.562 1.00 0.00 C ATOM 208 OG1 THR A 17 -8.403 4.728 -14.174 1.00 0.00 O ATOM 209 CG2 THR A 17 -9.552 4.751 -16.202 1.00 0.00 C ATOM 0 H THR A 17 -6.636 2.805 -14.244 1.00 0.00 H new ATOM 0 HA THR A 17 -7.411 3.552 -16.976 1.00 0.00 H new ATOM 0 HB THR A 17 -7.789 5.936 -15.848 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.041 5.388 -13.832 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.225 5.547 -15.885 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.454 4.769 -17.287 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.957 3.788 -15.890 1.00 0.00 H new ATOM 217 N TRP A 18 -5.152 4.294 -17.204 1.00 0.00 N ATOM 218 CA TRP A 18 -3.780 4.732 -17.401 1.00 0.00 C ATOM 219 C TRP A 18 -3.812 6.050 -18.177 1.00 0.00 C ATOM 220 O TRP A 18 -4.139 6.069 -19.362 1.00 0.00 O ATOM 221 CB TRP A 18 -2.954 3.648 -18.096 1.00 0.00 C ATOM 222 CG TRP A 18 -2.674 2.423 -17.224 1.00 0.00 C ATOM 223 CD1 TRP A 18 -3.407 1.307 -17.110 1.00 0.00 C ATOM 224 CD2 TRP A 18 -1.546 2.234 -16.343 1.00 0.00 C ATOM 225 NE1 TRP A 18 -2.837 0.416 -16.223 1.00 0.00 N ATOM 226 CE2 TRP A 18 -1.669 0.997 -15.743 1.00 0.00 C ATOM 227 CE3 TRP A 18 -0.458 3.079 -16.064 1.00 0.00 C ATOM 228 CZ2 TRP A 18 -0.739 0.495 -14.824 1.00 0.00 C ATOM 229 CZ3 TRP A 18 0.462 2.563 -15.144 1.00 0.00 C ATOM 230 CH2 TRP A 18 0.353 1.320 -14.530 1.00 0.00 C ATOM 0 H TRP A 18 -5.609 3.932 -18.041 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.288 4.904 -16.444 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.478 3.328 -18.996 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.005 4.078 -18.416 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.328 1.127 -17.645 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.205 -0.500 -15.967 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.341 4.050 -16.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.858 -0.476 -14.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.317 3.173 -14.893 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.107 0.993 -13.830 1.00 0.00 H new ATOM 241 N GLN A 19 -3.468 7.120 -17.476 1.00 0.00 N ATOM 242 CA GLN A 19 -3.453 8.440 -18.084 1.00 0.00 C ATOM 243 C GLN A 19 -2.162 9.177 -17.720 1.00 0.00 C ATOM 244 O GLN A 19 -1.586 8.942 -16.659 1.00 0.00 O ATOM 245 CB GLN A 19 -4.682 9.250 -17.668 1.00 0.00 C ATOM 246 CG GLN A 19 -5.896 8.340 -17.469 1.00 0.00 C ATOM 247 CD GLN A 19 -6.102 8.015 -15.989 1.00 0.00 C ATOM 248 OE1 GLN A 19 -5.251 7.441 -15.329 1.00 0.00 O ATOM 249 NE2 GLN A 19 -7.276 8.412 -15.505 1.00 0.00 N ATOM 0 H GLN A 19 -3.197 7.100 -16.493 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.488 8.320 -19.167 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.471 9.789 -16.744 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.904 9.998 -18.429 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.788 8.826 -17.866 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.759 7.417 -18.032 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.943 8.888 -16.112 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.509 8.241 -14.527 1.00 0.00 H new ATOM 258 N PRO A 20 -1.734 10.077 -18.646 1.00 0.00 N ATOM 259 CA PRO A 20 -0.522 10.850 -18.434 1.00 0.00 C ATOM 260 C PRO A 20 -0.754 11.962 -17.408 1.00 0.00 C ATOM 261 O PRO A 20 -1.890 12.375 -17.181 1.00 0.00 O ATOM 262 CB PRO A 20 -0.147 11.378 -19.808 1.00 0.00 C ATOM 263 CG PRO A 20 -1.406 11.273 -20.654 1.00 0.00 C ATOM 264 CD PRO A 20 -2.390 10.382 -19.914 1.00 0.00 C ATOM 0 HA PRO A 20 0.290 10.254 -18.016 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.198 12.410 -19.749 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.665 10.795 -20.242 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.836 12.260 -20.822 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.174 10.855 -21.634 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -3.342 10.889 -19.755 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.603 9.474 -20.478 1.00 0.00 H new ATOM 272 N SER A 21 0.342 12.415 -16.817 1.00 0.00 N ATOM 273 CA SER A 21 0.273 13.471 -15.821 1.00 0.00 C ATOM 274 C SER A 21 -0.080 14.800 -16.491 1.00 0.00 C ATOM 275 O SER A 21 -0.369 14.839 -17.686 1.00 0.00 O ATOM 276 CB SER A 21 1.593 13.595 -15.058 1.00 0.00 C ATOM 277 OG SER A 21 2.628 14.147 -15.868 1.00 0.00 O ATOM 0 H SER A 21 1.283 12.070 -17.009 1.00 0.00 H new ATOM 0 HA SER A 21 -0.507 13.215 -15.104 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.446 14.223 -14.179 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.898 12.612 -14.700 1.00 0.00 H new ATOM 0 HG SER A 21 3.403 14.360 -15.308 1.00 0.00 H new ATOM 283 N LYS A 22 -0.046 15.856 -15.693 1.00 0.00 N ATOM 284 CA LYS A 22 -0.359 17.184 -16.194 1.00 0.00 C ATOM 285 C LYS A 22 0.586 17.524 -17.349 1.00 0.00 C ATOM 286 O LYS A 22 0.155 18.053 -18.372 1.00 0.00 O ATOM 287 CB LYS A 22 -0.332 18.206 -15.056 1.00 0.00 C ATOM 288 CG LYS A 22 -1.722 18.802 -14.822 1.00 0.00 C ATOM 289 CD LYS A 22 -1.632 20.297 -14.508 1.00 0.00 C ATOM 290 CE LYS A 22 -3.001 20.967 -14.635 1.00 0.00 C ATOM 291 NZ LYS A 22 -2.912 22.172 -15.490 1.00 0.00 N ATOM 0 H LYS A 22 0.194 15.820 -14.702 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.373 17.212 -16.592 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.022 17.729 -14.142 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.374 19.002 -15.294 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.341 18.649 -15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.210 18.282 -13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.247 20.438 -13.498 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.926 20.773 -15.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.718 20.265 -15.060 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.371 21.241 -13.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.850 22.614 -15.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.243 22.848 -15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.580 21.902 -16.438 1.00 0.00 H new ATOM 305 N ASP A 23 1.856 17.206 -17.145 1.00 0.00 N ATOM 306 CA ASP A 23 2.865 17.472 -18.157 1.00 0.00 C ATOM 307 C ASP A 23 2.647 16.535 -19.347 1.00 0.00 C ATOM 308 O ASP A 23 2.282 16.982 -20.433 1.00 0.00 O ATOM 309 CB ASP A 23 4.272 17.222 -17.610 1.00 0.00 C ATOM 310 CG ASP A 23 4.908 18.413 -16.890 1.00 0.00 C ATOM 311 OD1 ASP A 23 4.965 19.491 -17.520 1.00 0.00 O ATOM 312 OD2 ASP A 23 5.322 18.218 -15.727 1.00 0.00 O ATOM 0 H ASP A 23 2.209 16.767 -16.295 1.00 0.00 H new ATOM 0 HA ASP A 23 2.775 18.516 -18.458 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.233 16.379 -16.920 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.920 16.928 -18.436 1.00 0.00 H new ATOM 317 N GLY A 24 2.880 15.254 -19.101 1.00 0.00 N ATOM 318 CA GLY A 24 2.713 14.251 -20.139 1.00 0.00 C ATOM 319 C GLY A 24 3.908 13.297 -20.176 1.00 0.00 C ATOM 320 O GLY A 24 3.799 12.178 -20.676 1.00 0.00 O ATOM 0 H GLY A 24 3.183 14.888 -18.198 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.798 13.687 -19.960 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.603 14.739 -21.107 1.00 0.00 H new ATOM 324 N ASP A 25 5.022 13.773 -19.640 1.00 0.00 N ATOM 325 CA ASP A 25 6.237 12.976 -19.606 1.00 0.00 C ATOM 326 C ASP A 25 6.016 11.758 -18.707 1.00 0.00 C ATOM 327 O ASP A 25 6.536 10.677 -18.982 1.00 0.00 O ATOM 328 CB ASP A 25 7.407 13.779 -19.034 1.00 0.00 C ATOM 329 CG ASP A 25 7.935 14.890 -19.945 1.00 0.00 C ATOM 330 OD1 ASP A 25 8.686 14.545 -20.882 1.00 0.00 O ATOM 331 OD2 ASP A 25 7.575 16.058 -19.682 1.00 0.00 O ATOM 0 H ASP A 25 5.109 14.701 -19.225 1.00 0.00 H new ATOM 0 HA ASP A 25 6.472 12.675 -20.627 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.096 14.222 -18.088 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.224 13.093 -18.811 1.00 0.00 H new ATOM 336 N ARG A 26 5.244 11.972 -17.652 1.00 0.00 N ATOM 337 CA ARG A 26 4.949 10.905 -16.711 1.00 0.00 C ATOM 338 C ARG A 26 3.619 10.237 -17.068 1.00 0.00 C ATOM 339 O ARG A 26 2.837 10.778 -17.847 1.00 0.00 O ATOM 340 CB ARG A 26 4.876 11.438 -15.279 1.00 0.00 C ATOM 341 CG ARG A 26 6.240 11.354 -14.592 1.00 0.00 C ATOM 342 CD ARG A 26 6.618 9.900 -14.299 1.00 0.00 C ATOM 343 NE ARG A 26 8.080 9.719 -14.440 1.00 0.00 N ATOM 344 CZ ARG A 26 8.968 10.001 -13.477 1.00 0.00 C ATOM 345 NH1 ARG A 26 8.549 10.479 -12.298 1.00 0.00 N ATOM 346 NH2 ARG A 26 10.276 9.804 -13.694 1.00 0.00 N ATOM 0 H ARG A 26 4.814 12.869 -17.428 1.00 0.00 H new ATOM 0 HA ARG A 26 5.756 10.174 -16.773 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.533 12.473 -15.289 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.143 10.865 -14.711 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.000 11.810 -15.227 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.218 11.922 -13.662 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.306 9.631 -13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.093 9.234 -14.984 1.00 0.00 H new ATOM 0 HE ARG A 26 8.434 9.357 -15.326 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.554 10.628 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.225 10.694 -11.565 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.595 9.440 -14.592 1.00 0.00 H new ATOM 0 HH22 ARG A 26 10.952 10.018 -12.961 1.00 0.00 H new ATOM 360 N LEU A 27 3.404 9.069 -16.480 1.00 0.00 N ATOM 361 CA LEU A 27 2.183 8.321 -16.726 1.00 0.00 C ATOM 362 C LEU A 27 1.562 7.914 -15.388 1.00 0.00 C ATOM 363 O LEU A 27 2.178 7.191 -14.607 1.00 0.00 O ATOM 364 CB LEU A 27 2.457 7.141 -17.661 1.00 0.00 C ATOM 365 CG LEU A 27 1.469 6.956 -18.814 1.00 0.00 C ATOM 366 CD1 LEU A 27 0.083 7.483 -18.439 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.999 7.600 -20.098 1.00 0.00 C ATOM 0 H LEU A 27 4.055 8.623 -15.834 1.00 0.00 H new ATOM 0 HA LEU A 27 1.452 8.943 -17.242 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.456 7.260 -18.080 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.467 6.227 -17.067 1.00 0.00 H new ATOM 0 HG LEU A 27 1.366 5.888 -19.007 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.600 7.339 -19.276 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.289 6.941 -17.570 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.149 8.545 -18.203 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.278 7.454 -20.902 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.150 8.667 -19.934 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.947 7.138 -20.372 1.00 0.00 H new ATOM 379 N ILE A 28 0.348 8.396 -15.166 1.00 0.00 N ATOM 380 CA ILE A 28 -0.365 8.092 -13.936 1.00 0.00 C ATOM 381 C ILE A 28 -1.345 6.945 -14.190 1.00 0.00 C ATOM 382 O ILE A 28 -2.335 7.116 -14.901 1.00 0.00 O ATOM 383 CB ILE A 28 -1.025 9.352 -13.373 1.00 0.00 C ATOM 384 CG1 ILE A 28 -0.025 10.509 -13.301 1.00 0.00 C ATOM 385 CG2 ILE A 28 -1.676 9.071 -12.018 1.00 0.00 C ATOM 386 CD1 ILE A 28 1.326 10.033 -12.764 1.00 0.00 C ATOM 0 H ILE A 28 -0.160 8.995 -15.817 1.00 0.00 H new ATOM 0 HA ILE A 28 0.330 7.754 -13.167 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.820 9.656 -14.054 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.106 10.943 -14.292 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.419 11.296 -12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.138 9.983 -11.640 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.437 8.300 -12.133 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.917 8.730 -11.314 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.018 10.874 -12.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.195 9.622 -11.763 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.729 9.264 -13.423 1.00 0.00 H new ATOM 398 N GLY A 29 -1.037 5.802 -13.595 1.00 0.00 N ATOM 399 CA GLY A 29 -1.879 4.628 -13.748 1.00 0.00 C ATOM 400 C GLY A 29 -2.729 4.396 -12.498 1.00 0.00 C ATOM 401 O GLY A 29 -2.294 4.684 -11.384 1.00 0.00 O ATOM 0 H GLY A 29 -0.216 5.664 -13.006 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.528 4.752 -14.615 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.258 3.753 -13.937 1.00 0.00 H new ATOM 405 N ARG A 30 -3.928 3.879 -12.724 1.00 0.00 N ATOM 406 CA ARG A 30 -4.844 3.605 -11.630 1.00 0.00 C ATOM 407 C ARG A 30 -5.357 2.166 -11.714 1.00 0.00 C ATOM 408 O ARG A 30 -5.851 1.740 -12.756 1.00 0.00 O ATOM 409 CB ARG A 30 -6.034 4.566 -11.655 1.00 0.00 C ATOM 410 CG ARG A 30 -6.075 5.422 -10.387 1.00 0.00 C ATOM 411 CD ARG A 30 -7.293 6.348 -10.390 1.00 0.00 C ATOM 412 NE ARG A 30 -6.989 7.582 -11.149 1.00 0.00 N ATOM 413 CZ ARG A 30 -7.749 8.685 -11.125 1.00 0.00 C ATOM 414 NH1 ARG A 30 -8.863 8.715 -10.381 1.00 0.00 N ATOM 415 NH2 ARG A 30 -7.395 9.758 -11.846 1.00 0.00 N ATOM 0 H ARG A 30 -4.286 3.643 -13.649 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.298 3.745 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.967 5.211 -12.531 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.961 4.000 -11.746 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.106 4.777 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.163 6.015 -10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.147 5.838 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.571 6.600 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.148 7.593 -11.726 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.132 7.898 -9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.442 9.555 -10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.547 9.735 -12.413 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.973 10.598 -11.828 1.00 0.00 H new ATOM 429 N ILE A 31 -5.222 1.458 -10.602 1.00 0.00 N ATOM 430 CA ILE A 31 -5.665 0.076 -10.537 1.00 0.00 C ATOM 431 C ILE A 31 -6.747 -0.058 -9.463 1.00 0.00 C ATOM 432 O ILE A 31 -6.455 0.016 -8.271 1.00 0.00 O ATOM 433 CB ILE A 31 -4.473 -0.860 -10.329 1.00 0.00 C ATOM 434 CG1 ILE A 31 -3.566 -0.875 -11.561 1.00 0.00 C ATOM 435 CG2 ILE A 31 -4.940 -2.265 -9.944 1.00 0.00 C ATOM 436 CD1 ILE A 31 -2.653 0.352 -11.585 1.00 0.00 C ATOM 0 H ILE A 31 -4.812 1.816 -9.739 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.115 -0.225 -11.483 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.880 -0.479 -9.498 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.962 -1.782 -11.561 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.175 -0.897 -12.465 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.073 -2.910 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.512 -2.217 -9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.568 -2.670 -10.738 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.019 0.316 -12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.260 1.257 -11.609 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.028 0.358 -10.692 1.00 0.00 H new ATOM 448 N LEU A 32 -7.973 -0.253 -9.925 1.00 0.00 N ATOM 449 CA LEU A 32 -9.100 -0.397 -9.019 1.00 0.00 C ATOM 450 C LEU A 32 -9.323 -1.882 -8.722 1.00 0.00 C ATOM 451 O LEU A 32 -9.515 -2.680 -9.639 1.00 0.00 O ATOM 452 CB LEU A 32 -10.335 0.309 -9.582 1.00 0.00 C ATOM 453 CG LEU A 32 -11.545 0.391 -8.650 1.00 0.00 C ATOM 454 CD1 LEU A 32 -12.562 -0.706 -8.974 1.00 0.00 C ATOM 455 CD2 LEU A 32 -11.110 0.354 -7.183 1.00 0.00 C ATOM 0 H LEU A 32 -8.211 -0.315 -10.915 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.888 0.092 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.051 1.322 -9.866 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.638 -0.205 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.040 1.348 -8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.412 -0.625 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.905 -0.592 -10.002 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.094 -1.683 -8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.989 0.414 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.578 -0.577 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.452 1.199 -6.977 1.00 0.00 H new ATOM 467 N LEU A 33 -9.289 -2.207 -7.439 1.00 0.00 N ATOM 468 CA LEU A 33 -9.485 -3.582 -7.010 1.00 0.00 C ATOM 469 C LEU A 33 -10.824 -3.698 -6.280 1.00 0.00 C ATOM 470 O LEU A 33 -11.060 -3.002 -5.293 1.00 0.00 O ATOM 471 CB LEU A 33 -8.290 -4.060 -6.182 1.00 0.00 C ATOM 472 CG LEU A 33 -7.098 -4.601 -6.975 1.00 0.00 C ATOM 473 CD1 LEU A 33 -7.421 -4.674 -8.468 1.00 0.00 C ATOM 474 CD2 LEU A 33 -5.838 -3.779 -6.700 1.00 0.00 C ATOM 0 H LEU A 33 -9.129 -1.543 -6.682 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.533 -4.247 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.945 -3.230 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.633 -4.840 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.898 -5.618 -6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.557 -5.062 -9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.273 -5.335 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.663 -3.677 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.006 -4.185 -7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.009 -2.742 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.599 -3.823 -5.637 1.00 0.00 H new ATOM 486 N ASN A 34 -11.667 -4.582 -6.793 1.00 0.00 N ATOM 487 CA ASN A 34 -12.977 -4.798 -6.203 1.00 0.00 C ATOM 488 C ASN A 34 -12.928 -6.034 -5.302 1.00 0.00 C ATOM 489 O ASN A 34 -11.961 -6.793 -5.337 1.00 0.00 O ATOM 490 CB ASN A 34 -14.034 -5.041 -7.281 1.00 0.00 C ATOM 491 CG ASN A 34 -15.442 -5.031 -6.682 1.00 0.00 C ATOM 492 OD1 ASN A 34 -16.068 -6.059 -6.484 1.00 0.00 O ATOM 493 ND2 ASN A 34 -15.903 -3.814 -6.405 1.00 0.00 N ATOM 0 H ASN A 34 -11.468 -5.157 -7.611 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.241 -3.907 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.957 -4.273 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.849 -5.999 -7.767 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.833 -3.700 -6.002 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.326 -2.995 -6.596 1.00 0.00 H new ATOM 500 N LYS A 35 -13.983 -6.196 -4.517 1.00 0.00 N ATOM 501 CA LYS A 35 -14.072 -7.327 -3.608 1.00 0.00 C ATOM 502 C LYS A 35 -15.520 -7.819 -3.555 1.00 0.00 C ATOM 503 O LYS A 35 -15.775 -9.019 -3.646 1.00 0.00 O ATOM 504 CB LYS A 35 -13.496 -6.961 -2.239 1.00 0.00 C ATOM 505 CG LYS A 35 -12.188 -6.180 -2.385 1.00 0.00 C ATOM 506 CD LYS A 35 -11.588 -5.855 -1.016 1.00 0.00 C ATOM 507 CE LYS A 35 -10.251 -6.572 -0.819 1.00 0.00 C ATOM 508 NZ LYS A 35 -9.140 -5.754 -1.354 1.00 0.00 N ATOM 0 H LYS A 35 -14.783 -5.564 -4.491 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.466 -8.157 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.220 -6.364 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.320 -7.868 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.476 -6.763 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.371 -5.257 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.444 -4.778 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.283 -6.152 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.089 -6.767 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.273 -7.539 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.232 -6.170 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.195 -5.731 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.211 -4.786 -0.982 1.00 0.00 H new ATOM 522 N ARG A 36 -16.430 -6.868 -3.407 1.00 0.00 N ATOM 523 CA ARG A 36 -17.845 -7.190 -3.340 1.00 0.00 C ATOM 524 C ARG A 36 -18.177 -8.326 -4.309 1.00 0.00 C ATOM 525 O ARG A 36 -18.118 -8.148 -5.524 1.00 0.00 O ATOM 526 CB ARG A 36 -18.704 -5.970 -3.682 1.00 0.00 C ATOM 527 CG ARG A 36 -18.929 -5.095 -2.447 1.00 0.00 C ATOM 528 CD ARG A 36 -19.396 -3.694 -2.846 1.00 0.00 C ATOM 529 NE ARG A 36 -20.484 -3.247 -1.947 1.00 0.00 N ATOM 530 CZ ARG A 36 -20.991 -2.007 -1.940 1.00 0.00 C ATOM 531 NH1 ARG A 36 -20.512 -1.082 -2.783 1.00 0.00 N ATOM 532 NH2 ARG A 36 -21.977 -1.691 -1.090 1.00 0.00 N ATOM 0 H ARG A 36 -16.215 -5.874 -3.332 1.00 0.00 H new ATOM 0 HA ARG A 36 -18.066 -7.502 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.217 -5.385 -4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.664 -6.297 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.672 -5.559 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -18.005 -5.025 -1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.561 -2.995 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -19.745 -3.699 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.872 -3.926 -1.292 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -19.761 -1.322 -3.430 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -20.898 -0.138 -2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -22.342 -2.395 -0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -22.363 -0.747 -1.085 1.00 0.00 H new ATOM 546 N LEU A 37 -18.519 -9.470 -3.734 1.00 0.00 N ATOM 547 CA LEU A 37 -18.860 -10.636 -4.531 1.00 0.00 C ATOM 548 C LEU A 37 -20.156 -10.363 -5.297 1.00 0.00 C ATOM 549 O LEU A 37 -20.359 -9.263 -5.809 1.00 0.00 O ATOM 550 CB LEU A 37 -18.917 -11.888 -3.653 1.00 0.00 C ATOM 551 CG LEU A 37 -17.672 -12.173 -2.811 1.00 0.00 C ATOM 552 CD1 LEU A 37 -18.054 -12.542 -1.376 1.00 0.00 C ATOM 553 CD2 LEU A 37 -16.801 -13.246 -3.466 1.00 0.00 C ATOM 0 H LEU A 37 -18.567 -9.614 -2.725 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.085 -10.830 -5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -19.772 -11.799 -2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.103 -12.749 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.077 -11.261 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.151 -12.740 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -18.602 -11.716 -0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.682 -13.433 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.923 -13.429 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.373 -14.168 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.485 -12.906 -4.452 1.00 0.00 H new ATOM 565 N LYS A 38 -21.000 -11.382 -5.351 1.00 0.00 N ATOM 566 CA LYS A 38 -22.271 -11.266 -6.046 1.00 0.00 C ATOM 567 C LYS A 38 -23.274 -10.541 -5.147 1.00 0.00 C ATOM 568 O LYS A 38 -24.003 -9.663 -5.606 1.00 0.00 O ATOM 569 CB LYS A 38 -22.750 -12.640 -6.520 1.00 0.00 C ATOM 570 CG LYS A 38 -23.234 -12.581 -7.970 1.00 0.00 C ATOM 571 CD LYS A 38 -24.545 -13.351 -8.142 1.00 0.00 C ATOM 572 CE LYS A 38 -24.479 -14.281 -9.356 1.00 0.00 C ATOM 573 NZ LYS A 38 -25.401 -15.426 -9.182 1.00 0.00 N ATOM 0 H LYS A 38 -20.829 -12.293 -4.925 1.00 0.00 H new ATOM 0 HA LYS A 38 -22.159 -10.665 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -21.938 -13.362 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.558 -12.989 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -23.376 -11.542 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.473 -13.000 -8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.749 -13.934 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -25.370 -12.649 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -24.741 -13.729 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -23.460 -14.644 -9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -25.344 -16.047 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.133 -15.961 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -26.374 -15.075 -9.078 1.00 0.00 H new ATOM 587 N ASP A 39 -23.280 -10.935 -3.882 1.00 0.00 N ATOM 588 CA ASP A 39 -24.182 -10.334 -2.915 1.00 0.00 C ATOM 589 C ASP A 39 -23.674 -8.937 -2.549 1.00 0.00 C ATOM 590 O ASP A 39 -24.456 -8.069 -2.166 1.00 0.00 O ATOM 591 CB ASP A 39 -24.246 -11.164 -1.631 1.00 0.00 C ATOM 592 CG ASP A 39 -25.216 -12.346 -1.673 1.00 0.00 C ATOM 593 OD1 ASP A 39 -24.949 -13.271 -2.470 1.00 0.00 O ATOM 594 OD2 ASP A 39 -26.204 -12.297 -0.908 1.00 0.00 O ATOM 0 H ASP A 39 -22.674 -11.664 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 39 -25.174 -10.287 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -23.247 -11.541 -1.410 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -24.530 -10.509 -0.807 1.00 0.00 H new ATOM 599 N GLY A 40 -22.367 -8.765 -2.682 1.00 0.00 N ATOM 600 CA GLY A 40 -21.745 -7.489 -2.371 1.00 0.00 C ATOM 601 C GLY A 40 -21.622 -7.293 -0.858 1.00 0.00 C ATOM 602 O GLY A 40 -22.077 -6.285 -0.320 1.00 0.00 O ATOM 0 H GLY A 40 -21.722 -9.488 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.757 -7.441 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -22.335 -6.679 -2.799 1.00 0.00 H new ATOM 606 N SER A 41 -21.006 -8.274 -0.215 1.00 0.00 N ATOM 607 CA SER A 41 -20.818 -8.222 1.225 1.00 0.00 C ATOM 608 C SER A 41 -19.338 -8.408 1.567 1.00 0.00 C ATOM 609 O SER A 41 -18.965 -8.425 2.739 1.00 0.00 O ATOM 610 CB SER A 41 -21.663 -9.285 1.930 1.00 0.00 C ATOM 611 OG SER A 41 -22.117 -8.846 3.207 1.00 0.00 O ATOM 0 H SER A 41 -20.631 -9.109 -0.664 1.00 0.00 H new ATOM 0 HA SER A 41 -21.146 -7.244 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.521 -9.537 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 41 -21.076 -10.196 2.048 1.00 0.00 H new ATOM 0 HG SER A 41 -22.654 -9.552 3.624 1.00 0.00 H new ATOM 617 N VAL A 42 -18.535 -8.542 0.521 1.00 0.00 N ATOM 618 CA VAL A 42 -17.104 -8.725 0.696 1.00 0.00 C ATOM 619 C VAL A 42 -16.853 -9.997 1.508 1.00 0.00 C ATOM 620 O VAL A 42 -17.440 -10.185 2.572 1.00 0.00 O ATOM 621 CB VAL A 42 -16.490 -7.478 1.334 1.00 0.00 C ATOM 622 CG1 VAL A 42 -15.070 -7.758 1.831 1.00 0.00 C ATOM 623 CG2 VAL A 42 -16.508 -6.298 0.360 1.00 0.00 C ATOM 0 H VAL A 42 -18.848 -8.527 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.615 -8.853 -0.270 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.099 -7.209 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.657 -6.855 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.095 -8.554 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -14.445 -8.065 0.992 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.066 -5.424 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.934 -6.553 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.537 -6.075 0.077 1.00 0.00 H new ATOM 633 N PRO A 43 -15.956 -10.861 0.960 1.00 0.00 N ATOM 634 CA PRO A 43 -15.620 -12.110 1.622 1.00 0.00 C ATOM 635 C PRO A 43 -14.703 -11.866 2.822 1.00 0.00 C ATOM 636 O PRO A 43 -14.037 -10.834 2.899 1.00 0.00 O ATOM 637 CB PRO A 43 -14.973 -12.965 0.545 1.00 0.00 C ATOM 638 CG PRO A 43 -14.549 -12.002 -0.553 1.00 0.00 C ATOM 639 CD PRO A 43 -15.242 -10.672 -0.299 1.00 0.00 C ATOM 0 HA PRO A 43 -16.493 -12.612 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.115 -13.508 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -15.673 -13.709 0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.466 -11.875 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.823 -12.395 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -14.521 -9.857 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -15.927 -10.421 -1.109 1.00 0.00 H new ATOM 647 N ARG A 44 -14.699 -12.831 3.730 1.00 0.00 N ATOM 648 CA ARG A 44 -13.875 -12.733 4.922 1.00 0.00 C ATOM 649 C ARG A 44 -12.466 -12.262 4.557 1.00 0.00 C ATOM 650 O ARG A 44 -11.965 -11.294 5.126 1.00 0.00 O ATOM 651 CB ARG A 44 -13.784 -14.081 5.641 1.00 0.00 C ATOM 652 CG ARG A 44 -14.393 -13.998 7.042 1.00 0.00 C ATOM 653 CD ARG A 44 -13.306 -13.813 8.102 1.00 0.00 C ATOM 654 NE ARG A 44 -13.739 -12.811 9.102 1.00 0.00 N ATOM 655 CZ ARG A 44 -14.609 -13.062 10.090 1.00 0.00 C ATOM 656 NH1 ARG A 44 -15.143 -14.285 10.217 1.00 0.00 N ATOM 657 NH2 ARG A 44 -14.944 -12.092 10.951 1.00 0.00 N ATOM 0 H ARG A 44 -15.254 -13.685 3.664 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.342 -12.009 5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.303 -14.843 5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.741 -14.390 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.096 -13.166 7.088 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.959 -14.906 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.100 -14.764 8.593 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.378 -13.491 7.630 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.351 -11.870 9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.887 -15.024 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.805 -14.477 10.969 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.537 -11.162 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.606 -12.284 11.703 1.00 0.00 H new ATOM 671 N ASP A 45 -11.867 -12.969 3.609 1.00 0.00 N ATOM 672 CA ASP A 45 -10.526 -12.634 3.162 1.00 0.00 C ATOM 673 C ASP A 45 -10.611 -11.600 2.038 1.00 0.00 C ATOM 674 O ASP A 45 -10.373 -10.414 2.262 1.00 0.00 O ATOM 675 CB ASP A 45 -9.804 -13.868 2.615 1.00 0.00 C ATOM 676 CG ASP A 45 -10.717 -14.932 2.001 1.00 0.00 C ATOM 677 OD1 ASP A 45 -11.806 -14.541 1.528 1.00 0.00 O ATOM 678 OD2 ASP A 45 -10.305 -16.112 2.020 1.00 0.00 O ATOM 0 H ASP A 45 -12.286 -13.772 3.139 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.974 -12.241 4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.087 -13.546 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.232 -14.324 3.423 1.00 0.00 H new ATOM 683 N SER A 46 -10.951 -12.086 0.853 1.00 0.00 N ATOM 684 CA SER A 46 -11.071 -11.218 -0.306 1.00 0.00 C ATOM 685 C SER A 46 -9.689 -10.711 -0.725 1.00 0.00 C ATOM 686 O SER A 46 -9.456 -9.505 -0.775 1.00 0.00 O ATOM 687 CB SER A 46 -12.003 -10.040 -0.018 1.00 0.00 C ATOM 688 OG SER A 46 -11.319 -8.957 0.607 1.00 0.00 O ATOM 0 H SER A 46 -11.147 -13.070 0.671 1.00 0.00 H new ATOM 0 HA SER A 46 -11.503 -11.796 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.451 -9.696 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.819 -10.372 0.624 1.00 0.00 H new ATOM 0 HG SER A 46 -11.224 -9.139 1.565 1.00 0.00 H new ATOM 694 N GLY A 47 -8.810 -11.659 -1.015 1.00 0.00 N ATOM 695 CA GLY A 47 -7.458 -11.323 -1.428 1.00 0.00 C ATOM 696 C GLY A 47 -6.921 -10.131 -0.634 1.00 0.00 C ATOM 697 O GLY A 47 -6.851 -9.017 -1.150 1.00 0.00 O ATOM 0 H GLY A 47 -9.007 -12.659 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.805 -12.184 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.447 -11.090 -2.493 1.00 0.00 H new ATOM 701 N ALA A 48 -6.557 -10.405 0.610 1.00 0.00 N ATOM 702 CA ALA A 48 -6.029 -9.369 1.481 1.00 0.00 C ATOM 703 C ALA A 48 -4.917 -8.613 0.751 1.00 0.00 C ATOM 704 O ALA A 48 -4.984 -7.394 0.603 1.00 0.00 O ATOM 705 CB ALA A 48 -5.545 -9.999 2.789 1.00 0.00 C ATOM 0 H ALA A 48 -6.617 -11.330 1.036 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.806 -8.648 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.149 -9.222 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.379 -10.498 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.762 -10.727 2.575 1.00 0.00 H new ATOM 711 N MET A 49 -3.919 -9.368 0.316 1.00 0.00 N ATOM 712 CA MET A 49 -2.794 -8.784 -0.395 1.00 0.00 C ATOM 713 C MET A 49 -3.118 -8.602 -1.879 1.00 0.00 C ATOM 714 O MET A 49 -2.230 -8.321 -2.682 1.00 0.00 O ATOM 715 CB MET A 49 -1.571 -9.691 -0.247 1.00 0.00 C ATOM 716 CG MET A 49 -0.559 -9.091 0.733 1.00 0.00 C ATOM 717 SD MET A 49 1.067 -9.075 -0.003 1.00 0.00 S ATOM 718 CE MET A 49 1.530 -7.379 0.306 1.00 0.00 C ATOM 0 H MET A 49 -3.866 -10.379 0.442 1.00 0.00 H new ATOM 0 HA MET A 49 -2.585 -7.804 0.035 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.883 -10.675 0.104 1.00 0.00 H new ATOM 0 HB3 MET A 49 -1.100 -9.834 -1.220 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.856 -8.077 1.000 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.544 -9.672 1.655 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.616 -7.303 0.367 1.00 0.00 H new ATOM 0 HE2 MET A 49 1.167 -6.749 -0.506 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.090 -7.047 1.247 1.00 0.00 H new ATOM 728 N LEU A 50 -4.393 -8.769 -2.199 1.00 0.00 N ATOM 729 CA LEU A 50 -4.845 -8.626 -3.572 1.00 0.00 C ATOM 730 C LEU A 50 -4.285 -9.776 -4.411 1.00 0.00 C ATOM 731 O LEU A 50 -5.043 -10.574 -4.961 1.00 0.00 O ATOM 732 CB LEU A 50 -4.488 -7.240 -4.113 1.00 0.00 C ATOM 733 CG LEU A 50 -5.263 -6.065 -3.513 1.00 0.00 C ATOM 734 CD1 LEU A 50 -6.707 -6.045 -4.020 1.00 0.00 C ATOM 735 CD2 LEU A 50 -5.193 -6.085 -1.985 1.00 0.00 C ATOM 0 H LEU A 50 -5.127 -9.002 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.932 -8.692 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.424 -7.070 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.646 -7.241 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.792 -5.140 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.236 -5.200 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.710 -5.948 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.205 -6.973 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.752 -5.239 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.625 -7.014 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.153 -6.016 -1.667 1.00 0.00 H new ATOM 747 N GLY A 51 -2.963 -9.825 -4.482 1.00 0.00 N ATOM 748 CA GLY A 51 -2.293 -10.865 -5.245 1.00 0.00 C ATOM 749 C GLY A 51 -0.794 -10.581 -5.359 1.00 0.00 C ATOM 750 O GLY A 51 0.014 -11.507 -5.417 1.00 0.00 O ATOM 0 H GLY A 51 -2.338 -9.162 -4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.448 -11.831 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.731 -10.930 -6.241 1.00 0.00 H new ATOM 754 N LEU A 52 -0.468 -9.298 -5.388 1.00 0.00 N ATOM 755 CA LEU A 52 0.920 -8.880 -5.494 1.00 0.00 C ATOM 756 C LEU A 52 1.467 -8.581 -4.097 1.00 0.00 C ATOM 757 O LEU A 52 0.714 -8.556 -3.124 1.00 0.00 O ATOM 758 CB LEU A 52 1.054 -7.710 -6.470 1.00 0.00 C ATOM 759 CG LEU A 52 0.970 -6.311 -5.856 1.00 0.00 C ATOM 760 CD1 LEU A 52 2.354 -5.810 -5.440 1.00 0.00 C ATOM 761 CD2 LEU A 52 0.269 -5.337 -6.805 1.00 0.00 C ATOM 0 H LEU A 52 -1.141 -8.533 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 52 1.529 -9.683 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.009 -7.802 -6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.273 -7.801 -7.225 1.00 0.00 H new ATOM 0 HG LEU A 52 0.365 -6.371 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.265 -4.814 -5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.780 -6.490 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.004 -5.769 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.223 -4.350 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.826 -5.275 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.742 -5.691 -7.008 1.00 0.00 H new ATOM 773 N LYS A 53 2.772 -8.363 -4.041 1.00 0.00 N ATOM 774 CA LYS A 53 3.428 -8.067 -2.778 1.00 0.00 C ATOM 775 C LYS A 53 4.112 -6.702 -2.872 1.00 0.00 C ATOM 776 O LYS A 53 5.136 -6.561 -3.538 1.00 0.00 O ATOM 777 CB LYS A 53 4.375 -9.204 -2.387 1.00 0.00 C ATOM 778 CG LYS A 53 4.333 -9.458 -0.879 1.00 0.00 C ATOM 779 CD LYS A 53 5.708 -9.878 -0.355 1.00 0.00 C ATOM 780 CE LYS A 53 5.902 -9.428 1.094 1.00 0.00 C ATOM 781 NZ LYS A 53 5.445 -10.481 2.029 1.00 0.00 N ATOM 0 H LYS A 53 3.393 -8.385 -4.850 1.00 0.00 H new ATOM 0 HA LYS A 53 2.695 -8.002 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.097 -10.113 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.392 -8.955 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.004 -8.556 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.602 -10.236 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.811 -10.961 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.488 -9.445 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.954 -9.205 1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.346 -8.508 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.584 -10.160 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.436 -10.674 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.994 -11.350 1.869 1.00 0.00 H new ATOM 795 N VAL A 54 3.517 -5.730 -2.195 1.00 0.00 N ATOM 796 CA VAL A 54 4.056 -4.381 -2.193 1.00 0.00 C ATOM 797 C VAL A 54 5.049 -4.235 -1.039 1.00 0.00 C ATOM 798 O VAL A 54 4.819 -4.753 0.053 1.00 0.00 O ATOM 799 CB VAL A 54 2.916 -3.362 -2.133 1.00 0.00 C ATOM 800 CG1 VAL A 54 3.454 -1.932 -2.202 1.00 0.00 C ATOM 801 CG2 VAL A 54 1.894 -3.618 -3.243 1.00 0.00 C ATOM 0 H VAL A 54 2.667 -5.850 -1.644 1.00 0.00 H new ATOM 0 HA VAL A 54 4.600 -4.186 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 54 2.409 -3.482 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.623 -1.228 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.125 -1.755 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.998 -1.793 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.094 -2.880 -3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.383 -3.538 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.475 -4.618 -3.129 1.00 0.00 H new ATOM 811 N VAL A 55 6.133 -3.526 -1.319 1.00 0.00 N ATOM 812 CA VAL A 55 7.163 -3.305 -0.318 1.00 0.00 C ATOM 813 C VAL A 55 7.359 -1.801 -0.118 1.00 0.00 C ATOM 814 O VAL A 55 7.835 -1.109 -1.017 1.00 0.00 O ATOM 815 CB VAL A 55 8.449 -4.028 -0.721 1.00 0.00 C ATOM 816 CG1 VAL A 55 9.671 -3.382 -0.064 1.00 0.00 C ATOM 817 CG2 VAL A 55 8.370 -5.518 -0.384 1.00 0.00 C ATOM 0 H VAL A 55 6.320 -3.097 -2.225 1.00 0.00 H new ATOM 0 HA VAL A 55 6.859 -3.723 0.642 1.00 0.00 H new ATOM 0 HB VAL A 55 8.560 -3.934 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.572 -3.915 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 55 9.744 -2.340 -0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.569 -3.430 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.297 -6.008 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.222 -5.641 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.534 -5.968 -0.919 1.00 0.00 H new ATOM 827 N GLY A 56 6.984 -1.339 1.065 1.00 0.00 N ATOM 828 CA GLY A 56 7.113 0.070 1.394 1.00 0.00 C ATOM 829 C GLY A 56 8.344 0.319 2.269 1.00 0.00 C ATOM 830 O GLY A 56 9.119 -0.600 2.532 1.00 0.00 O ATOM 0 H GLY A 56 6.590 -1.916 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.189 0.655 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.218 0.409 1.915 1.00 0.00 H new ATOM 834 N GLY A 57 8.486 1.565 2.695 1.00 0.00 N ATOM 835 CA GLY A 57 9.609 1.946 3.534 1.00 0.00 C ATOM 836 C GLY A 57 10.935 1.751 2.796 1.00 0.00 C ATOM 837 O GLY A 57 12.003 1.808 3.405 1.00 0.00 O ATOM 0 H GLY A 57 7.842 2.324 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.506 2.989 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.605 1.349 4.446 1.00 0.00 H new ATOM 841 N LYS A 58 10.825 1.526 1.495 1.00 0.00 N ATOM 842 CA LYS A 58 12.002 1.323 0.668 1.00 0.00 C ATOM 843 C LYS A 58 12.791 2.630 0.582 1.00 0.00 C ATOM 844 O LYS A 58 12.224 3.684 0.296 1.00 0.00 O ATOM 845 CB LYS A 58 11.607 0.752 -0.695 1.00 0.00 C ATOM 846 CG LYS A 58 12.837 0.549 -1.582 1.00 0.00 C ATOM 847 CD LYS A 58 13.140 -0.939 -1.768 1.00 0.00 C ATOM 848 CE LYS A 58 13.752 -1.535 -0.499 1.00 0.00 C ATOM 849 NZ LYS A 58 15.112 -2.052 -0.773 1.00 0.00 N ATOM 0 H LYS A 58 9.938 1.480 0.993 1.00 0.00 H new ATOM 0 HA LYS A 58 12.661 0.582 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.091 -0.199 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.907 1.427 -1.187 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.670 1.014 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.698 1.046 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.223 -1.472 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.826 -1.073 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.796 -0.776 0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.119 -2.340 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.513 -2.453 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.062 -2.791 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.718 -1.276 -1.107 1.00 0.00 H new ATOM 863 N MET A 59 14.087 2.520 0.834 1.00 0.00 N ATOM 864 CA MET A 59 14.960 3.681 0.789 1.00 0.00 C ATOM 865 C MET A 59 15.570 3.853 -0.603 1.00 0.00 C ATOM 866 O MET A 59 16.388 3.041 -1.032 1.00 0.00 O ATOM 867 CB MET A 59 16.079 3.519 1.820 1.00 0.00 C ATOM 868 CG MET A 59 16.364 4.843 2.531 1.00 0.00 C ATOM 869 SD MET A 59 15.174 5.105 3.835 1.00 0.00 S ATOM 870 CE MET A 59 14.799 6.831 3.570 1.00 0.00 C ATOM 0 H MET A 59 14.554 1.644 1.070 1.00 0.00 H new ATOM 0 HA MET A 59 14.368 4.567 1.019 1.00 0.00 H new ATOM 0 HB2 MET A 59 15.797 2.762 2.552 1.00 0.00 H new ATOM 0 HB3 MET A 59 16.984 3.164 1.327 1.00 0.00 H new ATOM 0 HG2 MET A 59 17.372 4.833 2.944 1.00 0.00 H new ATOM 0 HG3 MET A 59 16.320 5.665 1.817 1.00 0.00 H new ATOM 0 HE1 MET A 59 14.253 7.221 4.429 1.00 0.00 H new ATOM 0 HE2 MET A 59 15.726 7.390 3.446 1.00 0.00 H new ATOM 0 HE3 MET A 59 14.189 6.937 2.673 1.00 0.00 H new ATOM 880 N THR A 60 15.149 4.918 -1.271 1.00 0.00 N ATOM 881 CA THR A 60 15.644 5.208 -2.606 1.00 0.00 C ATOM 882 C THR A 60 17.013 5.886 -2.532 1.00 0.00 C ATOM 883 O THR A 60 17.683 5.829 -1.502 1.00 0.00 O ATOM 884 CB THR A 60 14.588 6.046 -3.330 1.00 0.00 C ATOM 885 OG1 THR A 60 14.587 7.285 -2.625 1.00 0.00 O ATOM 886 CG2 THR A 60 13.172 5.503 -3.131 1.00 0.00 C ATOM 0 H THR A 60 14.471 5.590 -0.912 1.00 0.00 H new ATOM 0 HA THR A 60 15.801 4.293 -3.177 1.00 0.00 H new ATOM 0 HB THR A 60 14.817 6.078 -4.395 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.003 7.215 -1.841 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.462 6.134 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.115 4.485 -3.517 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.929 5.502 -2.069 1.00 0.00 H new ATOM 894 N GLU A 61 17.387 6.514 -3.637 1.00 0.00 N ATOM 895 CA GLU A 61 18.665 7.203 -3.710 1.00 0.00 C ATOM 896 C GLU A 61 18.492 8.680 -3.349 1.00 0.00 C ATOM 897 O GLU A 61 19.458 9.441 -3.358 1.00 0.00 O ATOM 898 CB GLU A 61 19.293 7.047 -5.096 1.00 0.00 C ATOM 899 CG GLU A 61 18.256 7.274 -6.198 1.00 0.00 C ATOM 900 CD GLU A 61 18.900 7.899 -7.437 1.00 0.00 C ATOM 901 OE1 GLU A 61 19.472 7.122 -8.232 1.00 0.00 O ATOM 902 OE2 GLU A 61 18.805 9.139 -7.562 1.00 0.00 O ATOM 0 H GLU A 61 16.828 6.560 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 61 19.343 6.749 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.111 7.758 -5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 61 19.721 6.049 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.791 6.325 -6.465 1.00 0.00 H new ATOM 0 HG3 GLU A 61 17.464 7.925 -5.828 1.00 0.00 H new ATOM 909 N SER A 62 17.256 9.040 -3.040 1.00 0.00 N ATOM 910 CA SER A 62 16.945 10.412 -2.676 1.00 0.00 C ATOM 911 C SER A 62 16.601 10.494 -1.188 1.00 0.00 C ATOM 912 O SER A 62 16.187 11.544 -0.700 1.00 0.00 O ATOM 913 CB SER A 62 15.789 10.956 -3.519 1.00 0.00 C ATOM 914 OG SER A 62 16.130 12.181 -4.164 1.00 0.00 O ATOM 0 H SER A 62 16.457 8.406 -3.034 1.00 0.00 H new ATOM 0 HA SER A 62 17.824 11.026 -2.873 1.00 0.00 H new ATOM 0 HB2 SER A 62 15.508 10.217 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.918 11.111 -2.883 1.00 0.00 H new ATOM 0 HG SER A 62 15.368 12.495 -4.693 1.00 0.00 H new ATOM 920 N GLY A 63 16.784 9.372 -0.508 1.00 0.00 N ATOM 921 CA GLY A 63 16.499 9.303 0.915 1.00 0.00 C ATOM 922 C GLY A 63 14.990 9.291 1.171 1.00 0.00 C ATOM 923 O GLY A 63 14.551 9.352 2.319 1.00 0.00 O ATOM 0 H GLY A 63 17.127 8.502 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.950 8.405 1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 63 16.951 10.156 1.422 1.00 0.00 H new ATOM 927 N ARG A 64 14.238 9.211 0.084 1.00 0.00 N ATOM 928 CA ARG A 64 12.788 9.189 0.176 1.00 0.00 C ATOM 929 C ARG A 64 12.284 7.748 0.275 1.00 0.00 C ATOM 930 O ARG A 64 12.996 6.812 -0.084 1.00 0.00 O ATOM 931 CB ARG A 64 12.149 9.864 -1.039 1.00 0.00 C ATOM 932 CG ARG A 64 11.505 11.196 -0.651 1.00 0.00 C ATOM 933 CD ARG A 64 10.040 11.002 -0.254 1.00 0.00 C ATOM 934 NE ARG A 64 9.197 12.024 -0.914 1.00 0.00 N ATOM 935 CZ ARG A 64 9.223 13.329 -0.612 1.00 0.00 C ATOM 936 NH1 ARG A 64 10.049 13.779 0.342 1.00 0.00 N ATOM 937 NH2 ARG A 64 8.423 14.184 -1.263 1.00 0.00 N ATOM 0 H ARG A 64 14.606 9.161 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 64 12.504 9.739 1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 64 12.905 10.031 -1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 64 11.397 9.205 -1.472 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.054 11.642 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.570 11.892 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.706 10.004 -0.539 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.935 11.076 0.828 1.00 0.00 H new ATOM 0 HE ARG A 64 8.556 11.715 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.658 13.128 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.069 14.772 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.794 13.842 -1.989 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.443 15.177 -1.033 1.00 0.00 H new ATOM 951 N LEU A 65 11.060 7.616 0.765 1.00 0.00 N ATOM 952 CA LEU A 65 10.452 6.304 0.916 1.00 0.00 C ATOM 953 C LEU A 65 9.280 6.175 -0.058 1.00 0.00 C ATOM 954 O LEU A 65 8.560 7.143 -0.300 1.00 0.00 O ATOM 955 CB LEU A 65 10.069 6.056 2.376 1.00 0.00 C ATOM 956 CG LEU A 65 11.212 6.128 3.391 1.00 0.00 C ATOM 957 CD1 LEU A 65 10.672 6.193 4.821 1.00 0.00 C ATOM 958 CD2 LEU A 65 12.189 4.966 3.200 1.00 0.00 C ATOM 0 H LEU A 65 10.473 8.395 1.062 1.00 0.00 H new ATOM 0 HA LEU A 65 11.166 5.521 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.310 6.785 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.608 5.071 2.448 1.00 0.00 H new ATOM 0 HG LEU A 65 11.768 7.049 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.505 6.243 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.048 7.079 4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.078 5.302 5.026 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.992 5.041 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.662 4.022 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.611 5.007 2.196 1.00 0.00 H new ATOM 970 N CYS A 66 9.123 4.972 -0.590 1.00 0.00 N ATOM 971 CA CYS A 66 8.050 4.704 -1.532 1.00 0.00 C ATOM 972 C CYS A 66 7.822 3.192 -1.583 1.00 0.00 C ATOM 973 O CYS A 66 8.702 2.415 -1.214 1.00 0.00 O ATOM 974 CB CYS A 66 8.354 5.283 -2.915 1.00 0.00 C ATOM 975 SG CYS A 66 6.793 5.693 -3.779 1.00 0.00 S ATOM 0 H CYS A 66 9.721 4.171 -0.386 1.00 0.00 H new ATOM 0 HA CYS A 66 7.137 5.197 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 66 8.970 6.177 -2.817 1.00 0.00 H new ATOM 0 HB3 CYS A 66 8.926 4.564 -3.502 1.00 0.00 H new ATOM 0 HG CYS A 66 6.176 4.596 -4.104 1.00 0.00 H new ATOM 981 N ALA A 67 6.637 2.819 -2.044 1.00 0.00 N ATOM 982 CA ALA A 67 6.283 1.414 -2.148 1.00 0.00 C ATOM 983 C ALA A 67 6.398 0.971 -3.608 1.00 0.00 C ATOM 984 O ALA A 67 5.830 1.601 -4.499 1.00 0.00 O ATOM 985 CB ALA A 67 4.878 1.198 -1.582 1.00 0.00 C ATOM 0 H ALA A 67 5.910 3.466 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 67 6.968 0.801 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.612 0.144 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.857 1.501 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.162 1.795 -2.147 1.00 0.00 H new ATOM 991 N PHE A 68 7.137 -0.111 -3.808 1.00 0.00 N ATOM 992 CA PHE A 68 7.333 -0.646 -5.145 1.00 0.00 C ATOM 993 C PHE A 68 6.902 -2.112 -5.217 1.00 0.00 C ATOM 994 O PHE A 68 7.114 -2.873 -4.275 1.00 0.00 O ATOM 995 CB PHE A 68 8.830 -0.552 -5.448 1.00 0.00 C ATOM 996 CG PHE A 68 9.431 0.831 -5.192 1.00 0.00 C ATOM 997 CD1 PHE A 68 9.386 1.783 -6.162 1.00 0.00 C ATOM 998 CD2 PHE A 68 10.010 1.110 -3.993 1.00 0.00 C ATOM 999 CE1 PHE A 68 9.944 3.067 -5.924 1.00 0.00 C ATOM 1000 CE2 PHE A 68 10.568 2.393 -3.755 1.00 0.00 C ATOM 1001 CZ PHE A 68 10.523 3.345 -4.725 1.00 0.00 C ATOM 0 H PHE A 68 7.607 -0.631 -3.067 1.00 0.00 H new ATOM 0 HA PHE A 68 6.736 -0.084 -5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.360 -1.285 -4.840 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.997 -0.822 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 68 8.926 1.562 -7.114 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.045 0.355 -3.222 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.909 3.823 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.028 2.613 -2.803 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.947 4.322 -4.543 1.00 0.00 H new ATOM 1011 N ILE A 69 6.303 -2.464 -6.346 1.00 0.00 N ATOM 1012 CA ILE A 69 5.840 -3.826 -6.554 1.00 0.00 C ATOM 1013 C ILE A 69 7.043 -4.770 -6.584 1.00 0.00 C ATOM 1014 O ILE A 69 8.041 -4.489 -7.246 1.00 0.00 O ATOM 1015 CB ILE A 69 4.961 -3.908 -7.804 1.00 0.00 C ATOM 1016 CG1 ILE A 69 3.765 -2.960 -7.696 1.00 0.00 C ATOM 1017 CG2 ILE A 69 4.529 -5.349 -8.076 1.00 0.00 C ATOM 1018 CD1 ILE A 69 3.011 -2.876 -9.025 1.00 0.00 C ATOM 0 H ILE A 69 6.128 -1.830 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 69 5.206 -4.144 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 69 5.552 -3.583 -8.660 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.091 -3.307 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.108 -1.967 -7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.905 -5.379 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.411 -5.971 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.962 -5.726 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.166 -2.196 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.681 -2.506 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.648 -3.866 -9.301 1.00 0.00 H new ATOM 1030 N THR A 70 6.908 -5.872 -5.861 1.00 0.00 N ATOM 1031 CA THR A 70 7.972 -6.860 -5.797 1.00 0.00 C ATOM 1032 C THR A 70 7.618 -8.080 -6.649 1.00 0.00 C ATOM 1033 O THR A 70 8.412 -8.510 -7.484 1.00 0.00 O ATOM 1034 CB THR A 70 8.216 -7.197 -4.325 1.00 0.00 C ATOM 1035 OG1 THR A 70 7.098 -8.003 -3.963 1.00 0.00 O ATOM 1036 CG2 THR A 70 8.101 -5.971 -3.416 1.00 0.00 C ATOM 0 H THR A 70 6.078 -6.103 -5.315 1.00 0.00 H new ATOM 0 HA THR A 70 8.900 -6.470 -6.214 1.00 0.00 H new ATOM 0 HB THR A 70 9.206 -7.640 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.389 -7.434 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.283 -6.266 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.837 -5.225 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.100 -5.547 -3.501 1.00 0.00 H new ATOM 1044 N LYS A 71 6.426 -8.605 -6.408 1.00 0.00 N ATOM 1045 CA LYS A 71 5.957 -9.767 -7.143 1.00 0.00 C ATOM 1046 C LYS A 71 4.449 -9.648 -7.370 1.00 0.00 C ATOM 1047 O LYS A 71 3.741 -9.050 -6.561 1.00 0.00 O ATOM 1048 CB LYS A 71 6.372 -11.055 -6.429 1.00 0.00 C ATOM 1049 CG LYS A 71 6.316 -12.252 -7.381 1.00 0.00 C ATOM 1050 CD LYS A 71 6.347 -13.571 -6.606 1.00 0.00 C ATOM 1051 CE LYS A 71 4.930 -14.061 -6.301 1.00 0.00 C ATOM 1052 NZ LYS A 71 4.788 -15.491 -6.657 1.00 0.00 N ATOM 0 H LYS A 71 5.770 -8.247 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 71 6.425 -9.810 -8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.382 -10.947 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.714 -11.231 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.408 -12.201 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.159 -12.212 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.880 -14.325 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.898 -13.437 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.710 -13.920 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.206 -13.468 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.821 -15.807 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.978 -15.617 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.466 -16.055 -6.106 1.00 0.00 H new ATOM 1066 N VAL A 72 4.001 -10.227 -8.474 1.00 0.00 N ATOM 1067 CA VAL A 72 2.589 -10.193 -8.817 1.00 0.00 C ATOM 1068 C VAL A 72 2.096 -11.619 -9.072 1.00 0.00 C ATOM 1069 O VAL A 72 2.582 -12.295 -9.977 1.00 0.00 O ATOM 1070 CB VAL A 72 2.363 -9.261 -10.009 1.00 0.00 C ATOM 1071 CG1 VAL A 72 0.878 -9.181 -10.368 1.00 0.00 C ATOM 1072 CG2 VAL A 72 2.935 -7.869 -9.732 1.00 0.00 C ATOM 0 H VAL A 72 4.591 -10.722 -9.143 1.00 0.00 H new ATOM 0 HA VAL A 72 2.005 -9.790 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 72 2.893 -9.677 -10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.745 -8.512 -11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.512 -10.175 -10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.317 -8.799 -9.515 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.761 -7.226 -10.595 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.445 -7.442 -8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.006 -7.946 -9.547 1.00 0.00 H new ATOM 1082 N LYS A 73 1.138 -12.034 -8.257 1.00 0.00 N ATOM 1083 CA LYS A 73 0.574 -13.368 -8.382 1.00 0.00 C ATOM 1084 C LYS A 73 -0.083 -13.511 -9.757 1.00 0.00 C ATOM 1085 O LYS A 73 -0.839 -12.639 -10.181 1.00 0.00 O ATOM 1086 CB LYS A 73 -0.371 -13.662 -7.215 1.00 0.00 C ATOM 1087 CG LYS A 73 -0.919 -15.088 -7.300 1.00 0.00 C ATOM 1088 CD LYS A 73 0.177 -16.115 -7.011 1.00 0.00 C ATOM 1089 CE LYS A 73 0.207 -17.203 -8.087 1.00 0.00 C ATOM 1090 NZ LYS A 73 1.602 -17.528 -8.456 1.00 0.00 N ATOM 0 H LYS A 73 0.738 -11.470 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 73 1.359 -14.121 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.158 -13.527 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.196 -12.950 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.735 -15.211 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.334 -15.263 -8.293 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.145 -15.616 -6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.007 -16.569 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.297 -18.098 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.340 -16.867 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.604 -18.268 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.071 -16.676 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.113 -17.869 -7.617 1.00 0.00 H new ATOM 1104 N LYS A 74 0.229 -14.618 -10.414 1.00 0.00 N ATOM 1105 CA LYS A 74 -0.321 -14.888 -11.731 1.00 0.00 C ATOM 1106 C LYS A 74 -1.755 -15.402 -11.585 1.00 0.00 C ATOM 1107 O LYS A 74 -1.969 -16.564 -11.243 1.00 0.00 O ATOM 1108 CB LYS A 74 0.595 -15.833 -12.512 1.00 0.00 C ATOM 1109 CG LYS A 74 -0.099 -16.349 -13.774 1.00 0.00 C ATOM 1110 CD LYS A 74 0.732 -16.041 -15.021 1.00 0.00 C ATOM 1111 CE LYS A 74 0.612 -17.166 -16.052 1.00 0.00 C ATOM 1112 NZ LYS A 74 0.070 -16.644 -17.327 1.00 0.00 N ATOM 0 H LYS A 74 0.856 -15.339 -10.058 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.369 -13.971 -12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.513 -15.313 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.880 -16.674 -11.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.255 -17.425 -13.693 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.083 -15.890 -13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.398 -15.102 -15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.777 -15.908 -14.742 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.590 -17.617 -16.223 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.039 -17.952 -15.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.005 -17.420 -18.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.872 -16.235 -17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.706 -15.910 -17.700 1.00 0.00 H new ATOM 1126 N GLY A 75 -2.699 -14.511 -11.851 1.00 0.00 N ATOM 1127 CA GLY A 75 -4.106 -14.861 -11.753 1.00 0.00 C ATOM 1128 C GLY A 75 -4.717 -14.318 -10.460 1.00 0.00 C ATOM 1129 O GLY A 75 -5.409 -15.041 -9.744 1.00 0.00 O ATOM 0 H GLY A 75 -2.517 -13.548 -12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.645 -14.459 -12.611 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.218 -15.945 -11.785 1.00 0.00 H new ATOM 1133 N SER A 76 -4.439 -13.049 -10.199 1.00 0.00 N ATOM 1134 CA SER A 76 -4.953 -12.401 -9.004 1.00 0.00 C ATOM 1135 C SER A 76 -5.421 -10.983 -9.338 1.00 0.00 C ATOM 1136 O SER A 76 -5.081 -10.445 -10.391 1.00 0.00 O ATOM 1137 CB SER A 76 -3.896 -12.364 -7.899 1.00 0.00 C ATOM 1138 OG SER A 76 -3.451 -13.670 -7.542 1.00 0.00 O ATOM 0 H SER A 76 -3.865 -12.452 -10.794 1.00 0.00 H new ATOM 0 HA SER A 76 -5.801 -12.981 -8.639 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.045 -11.769 -8.231 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.308 -11.868 -7.020 1.00 0.00 H new ATOM 0 HG SER A 76 -3.337 -13.722 -6.570 1.00 0.00 H new ATOM 1144 N LEU A 77 -6.195 -10.418 -8.423 1.00 0.00 N ATOM 1145 CA LEU A 77 -6.713 -9.073 -8.607 1.00 0.00 C ATOM 1146 C LEU A 77 -5.632 -8.198 -9.245 1.00 0.00 C ATOM 1147 O LEU A 77 -5.815 -7.684 -10.347 1.00 0.00 O ATOM 1148 CB LEU A 77 -7.251 -8.521 -7.285 1.00 0.00 C ATOM 1149 CG LEU A 77 -8.630 -9.028 -6.859 1.00 0.00 C ATOM 1150 CD1 LEU A 77 -9.660 -8.815 -7.970 1.00 0.00 C ATOM 1151 CD2 LEU A 77 -8.563 -10.489 -6.412 1.00 0.00 C ATOM 0 H LEU A 77 -6.476 -10.868 -7.552 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.562 -9.081 -9.291 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.538 -8.761 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.292 -7.434 -7.358 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.958 -8.443 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.631 -9.184 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.734 -7.752 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.349 -9.357 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.557 -10.824 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.204 -11.105 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.881 -10.580 -5.567 1.00 0.00 H new ATOM 1163 N ALA A 78 -4.529 -8.056 -8.524 1.00 0.00 N ATOM 1164 CA ALA A 78 -3.419 -7.252 -9.006 1.00 0.00 C ATOM 1165 C ALA A 78 -2.720 -7.988 -10.150 1.00 0.00 C ATOM 1166 O ALA A 78 -1.529 -8.285 -10.066 1.00 0.00 O ATOM 1167 CB ALA A 78 -2.471 -6.943 -7.846 1.00 0.00 C ATOM 0 H ALA A 78 -4.381 -8.484 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.777 -6.300 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.638 -6.340 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.009 -6.393 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.090 -7.875 -7.429 1.00 0.00 H new ATOM 1173 N ASP A 79 -3.490 -8.263 -11.193 1.00 0.00 N ATOM 1174 CA ASP A 79 -2.960 -8.959 -12.352 1.00 0.00 C ATOM 1175 C ASP A 79 -4.091 -9.214 -13.350 1.00 0.00 C ATOM 1176 O ASP A 79 -3.950 -8.933 -14.539 1.00 0.00 O ATOM 1177 CB ASP A 79 -2.364 -10.312 -11.957 1.00 0.00 C ATOM 1178 CG ASP A 79 -1.115 -10.721 -12.740 1.00 0.00 C ATOM 1179 OD1 ASP A 79 -0.359 -9.803 -13.125 1.00 0.00 O ATOM 1180 OD2 ASP A 79 -0.944 -11.944 -12.937 1.00 0.00 O ATOM 0 H ASP A 79 -4.477 -8.016 -11.259 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.181 -8.336 -12.792 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.117 -10.288 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.126 -11.080 -12.090 1.00 0.00 H new ATOM 1185 N THR A 80 -5.188 -9.744 -12.830 1.00 0.00 N ATOM 1186 CA THR A 80 -6.343 -10.041 -13.660 1.00 0.00 C ATOM 1187 C THR A 80 -7.110 -8.757 -13.985 1.00 0.00 C ATOM 1188 O THR A 80 -7.544 -8.559 -15.118 1.00 0.00 O ATOM 1189 CB THR A 80 -7.190 -11.088 -12.935 1.00 0.00 C ATOM 1190 OG1 THR A 80 -7.778 -10.371 -11.854 1.00 0.00 O ATOM 1191 CG2 THR A 80 -6.339 -12.160 -12.253 1.00 0.00 C ATOM 0 H THR A 80 -5.302 -9.976 -11.843 1.00 0.00 H new ATOM 0 HA THR A 80 -6.043 -10.456 -14.622 1.00 0.00 H new ATOM 0 HB THR A 80 -7.868 -11.561 -13.645 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.107 -10.224 -11.155 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.990 -12.878 -11.753 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.736 -12.676 -13.000 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.684 -11.692 -11.518 1.00 0.00 H new ATOM 1199 N VAL A 81 -7.252 -7.918 -12.969 1.00 0.00 N ATOM 1200 CA VAL A 81 -7.959 -6.659 -13.132 1.00 0.00 C ATOM 1201 C VAL A 81 -6.952 -5.508 -13.113 1.00 0.00 C ATOM 1202 O VAL A 81 -7.075 -4.558 -13.885 1.00 0.00 O ATOM 1203 CB VAL A 81 -9.042 -6.524 -12.059 1.00 0.00 C ATOM 1204 CG1 VAL A 81 -10.179 -7.519 -12.300 1.00 0.00 C ATOM 1205 CG2 VAL A 81 -8.450 -6.696 -10.659 1.00 0.00 C ATOM 0 H VAL A 81 -6.890 -8.085 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.469 -6.629 -14.095 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.457 -5.518 -12.126 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -10.935 -7.402 -11.524 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -10.628 -7.330 -13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.785 -8.535 -12.273 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.240 -6.596 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.996 -7.683 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.692 -5.932 -10.488 1.00 0.00 H new ATOM 1215 N GLY A 82 -5.978 -5.630 -12.223 1.00 0.00 N ATOM 1216 CA GLY A 82 -4.950 -4.611 -12.093 1.00 0.00 C ATOM 1217 C GLY A 82 -3.892 -4.758 -13.189 1.00 0.00 C ATOM 1218 O GLY A 82 -3.447 -3.765 -13.764 1.00 0.00 O ATOM 0 H GLY A 82 -5.879 -6.419 -11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.404 -3.622 -12.151 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.478 -4.688 -11.114 1.00 0.00 H new ATOM 1222 N HIS A 83 -3.519 -6.003 -13.444 1.00 0.00 N ATOM 1223 CA HIS A 83 -2.521 -6.292 -14.460 1.00 0.00 C ATOM 1224 C HIS A 83 -1.173 -5.707 -14.036 1.00 0.00 C ATOM 1225 O HIS A 83 -0.236 -5.658 -14.832 1.00 0.00 O ATOM 1226 CB HIS A 83 -2.981 -5.791 -15.831 1.00 0.00 C ATOM 1227 CG HIS A 83 -4.401 -6.167 -16.178 1.00 0.00 C ATOM 1228 ND1 HIS A 83 -5.564 -5.464 -16.059 1.00 0.00 N flip ATOM 1229 CD2 HIS A 83 -4.742 -7.397 -16.714 1.00 0.00 C flip ATOM 1230 CE1 HIS A 83 -6.560 -6.222 -16.500 1.00 0.00 C flip ATOM 1231 NE2 HIS A 83 -6.052 -7.421 -16.906 1.00 0.00 N flip ATOM 0 H HIS A 83 -3.890 -6.823 -12.965 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.395 -7.370 -14.556 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.886 -4.706 -15.860 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.314 -6.190 -16.595 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -5.653 -4.516 -15.693 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.056 -8.201 -16.938 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.601 -5.937 -16.532 1.00 0.00 H new ATOM 1239 N LEU A 84 -1.117 -5.279 -12.784 1.00 0.00 N ATOM 1240 CA LEU A 84 0.101 -4.699 -12.245 1.00 0.00 C ATOM 1241 C LEU A 84 1.286 -5.605 -12.585 1.00 0.00 C ATOM 1242 O LEU A 84 1.103 -6.696 -13.123 1.00 0.00 O ATOM 1243 CB LEU A 84 -0.053 -4.425 -10.747 1.00 0.00 C ATOM 1244 CG LEU A 84 -1.090 -3.367 -10.362 1.00 0.00 C ATOM 1245 CD1 LEU A 84 -1.717 -3.683 -9.003 1.00 0.00 C ATOM 1246 CD2 LEU A 84 -0.481 -1.964 -10.401 1.00 0.00 C ATOM 0 H LEU A 84 -1.896 -5.322 -12.127 1.00 0.00 H new ATOM 0 HA LEU A 84 0.297 -3.730 -12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.316 -5.360 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.915 -4.117 -10.353 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.893 -3.390 -11.099 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.450 -2.916 -8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.209 -4.655 -9.046 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.939 -3.704 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.238 -1.231 -10.124 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.351 -1.909 -9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.122 -1.751 -11.408 1.00 0.00 H new ATOM 1258 N ARG A 85 2.474 -5.120 -12.257 1.00 0.00 N ATOM 1259 CA ARG A 85 3.689 -5.872 -12.521 1.00 0.00 C ATOM 1260 C ARG A 85 4.787 -5.473 -11.533 1.00 0.00 C ATOM 1261 O ARG A 85 4.759 -4.375 -10.979 1.00 0.00 O ATOM 1262 CB ARG A 85 4.186 -5.634 -13.948 1.00 0.00 C ATOM 1263 CG ARG A 85 3.368 -6.445 -14.956 1.00 0.00 C ATOM 1264 CD ARG A 85 3.482 -7.944 -14.674 1.00 0.00 C ATOM 1265 NE ARG A 85 3.552 -8.695 -15.947 1.00 0.00 N ATOM 1266 CZ ARG A 85 2.492 -8.953 -16.726 1.00 0.00 C ATOM 1267 NH1 ARG A 85 1.276 -8.522 -16.366 1.00 0.00 N ATOM 1268 NH2 ARG A 85 2.650 -9.642 -17.865 1.00 0.00 N ATOM 0 H ARG A 85 2.621 -4.215 -11.810 1.00 0.00 H new ATOM 0 HA ARG A 85 3.455 -6.930 -12.402 1.00 0.00 H new ATOM 0 HB2 ARG A 85 4.118 -4.573 -14.189 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.238 -5.910 -14.021 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.322 -6.141 -14.910 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.717 -6.234 -15.967 1.00 0.00 H new ATOM 0 HD2 ARG A 85 4.371 -8.143 -14.076 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.624 -8.279 -14.091 1.00 0.00 H new ATOM 0 HE ARG A 85 4.463 -9.038 -16.251 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.157 -7.998 -15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.469 -8.718 -16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.576 -9.970 -18.139 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.844 -9.839 -18.458 1.00 0.00 H new ATOM 1282 N PRO A 86 5.752 -6.410 -11.336 1.00 0.00 N ATOM 1283 CA PRO A 86 6.857 -6.166 -10.424 1.00 0.00 C ATOM 1284 C PRO A 86 7.872 -5.199 -11.038 1.00 0.00 C ATOM 1285 O PRO A 86 8.643 -5.579 -11.919 1.00 0.00 O ATOM 1286 CB PRO A 86 7.443 -7.540 -10.140 1.00 0.00 C ATOM 1287 CG PRO A 86 6.946 -8.444 -11.256 1.00 0.00 C ATOM 1288 CD PRO A 86 5.818 -7.721 -11.974 1.00 0.00 C ATOM 0 HA PRO A 86 6.540 -5.683 -9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.532 -7.504 -10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.121 -7.908 -9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.755 -8.674 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.594 -9.393 -10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.021 -7.632 -13.041 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.875 -8.259 -11.872 1.00 0.00 H new ATOM 1296 N GLY A 87 7.839 -3.968 -10.550 1.00 0.00 N ATOM 1297 CA GLY A 87 8.746 -2.944 -11.039 1.00 0.00 C ATOM 1298 C GLY A 87 8.102 -1.558 -10.960 1.00 0.00 C ATOM 1299 O GLY A 87 8.800 -0.550 -10.869 1.00 0.00 O ATOM 0 H GLY A 87 7.198 -3.656 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.664 -2.956 -10.452 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.024 -3.162 -12.070 1.00 0.00 H new ATOM 1303 N ASP A 88 6.777 -1.553 -10.998 1.00 0.00 N ATOM 1304 CA ASP A 88 6.032 -0.308 -10.932 1.00 0.00 C ATOM 1305 C ASP A 88 6.155 0.281 -9.526 1.00 0.00 C ATOM 1306 O ASP A 88 6.818 -0.294 -8.664 1.00 0.00 O ATOM 1307 CB ASP A 88 4.547 -0.539 -11.219 1.00 0.00 C ATOM 1308 CG ASP A 88 3.972 0.293 -12.367 1.00 0.00 C ATOM 1309 OD1 ASP A 88 4.792 0.835 -13.140 1.00 0.00 O ATOM 1310 OD2 ASP A 88 2.727 0.368 -12.446 1.00 0.00 O ATOM 0 H ASP A 88 6.201 -2.391 -11.074 1.00 0.00 H new ATOM 0 HA ASP A 88 6.443 0.371 -11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.396 -1.595 -11.445 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.980 -0.322 -10.314 1.00 0.00 H new ATOM 1315 N GLU A 89 5.507 1.421 -9.337 1.00 0.00 N ATOM 1316 CA GLU A 89 5.536 2.095 -8.050 1.00 0.00 C ATOM 1317 C GLU A 89 4.136 2.588 -7.677 1.00 0.00 C ATOM 1318 O GLU A 89 3.637 3.549 -8.261 1.00 0.00 O ATOM 1319 CB GLU A 89 6.540 3.249 -8.058 1.00 0.00 C ATOM 1320 CG GLU A 89 6.591 3.941 -6.694 1.00 0.00 C ATOM 1321 CD GLU A 89 7.372 5.254 -6.774 1.00 0.00 C ATOM 1322 OE1 GLU A 89 6.930 6.132 -7.546 1.00 0.00 O ATOM 1323 OE2 GLU A 89 8.395 5.350 -6.062 1.00 0.00 O ATOM 0 H GLU A 89 4.958 1.895 -10.054 1.00 0.00 H new ATOM 0 HA GLU A 89 5.861 1.380 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.530 2.873 -8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.263 3.971 -8.826 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.578 4.137 -6.344 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.058 3.280 -5.964 1.00 0.00 H new ATOM 1330 N VAL A 90 3.543 1.909 -6.707 1.00 0.00 N ATOM 1331 CA VAL A 90 2.211 2.266 -6.250 1.00 0.00 C ATOM 1332 C VAL A 90 2.290 3.540 -5.407 1.00 0.00 C ATOM 1333 O VAL A 90 2.676 3.493 -4.240 1.00 0.00 O ATOM 1334 CB VAL A 90 1.582 1.090 -5.499 1.00 0.00 C ATOM 1335 CG1 VAL A 90 2.532 0.555 -4.426 1.00 0.00 C ATOM 1336 CG2 VAL A 90 0.235 1.485 -4.891 1.00 0.00 C ATOM 0 H VAL A 90 3.960 1.113 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 90 1.560 2.477 -7.099 1.00 0.00 H new ATOM 0 HB VAL A 90 1.403 0.290 -6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.061 -0.280 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.456 0.217 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.756 1.347 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.190 0.631 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.379 2.309 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.445 1.797 -5.684 1.00 0.00 H new ATOM 1346 N LEU A 91 1.919 4.648 -6.031 1.00 0.00 N ATOM 1347 CA LEU A 91 1.943 5.933 -5.352 1.00 0.00 C ATOM 1348 C LEU A 91 0.943 5.913 -4.195 1.00 0.00 C ATOM 1349 O LEU A 91 1.327 6.056 -3.035 1.00 0.00 O ATOM 1350 CB LEU A 91 1.708 7.070 -6.349 1.00 0.00 C ATOM 1351 CG LEU A 91 2.800 7.278 -7.399 1.00 0.00 C ATOM 1352 CD1 LEU A 91 2.523 8.526 -8.239 1.00 0.00 C ATOM 1353 CD2 LEU A 91 4.185 7.321 -6.749 1.00 0.00 C ATOM 0 H LEU A 91 1.600 4.683 -6.999 1.00 0.00 H new ATOM 0 HA LEU A 91 2.927 6.117 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.766 6.885 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.588 7.998 -5.790 1.00 0.00 H new ATOM 0 HG LEU A 91 2.788 6.424 -8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.315 8.650 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.565 8.417 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.491 9.401 -7.590 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.943 7.470 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.226 8.143 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.373 6.381 -6.231 1.00 0.00 H new ATOM 1365 N GLU A 92 -0.321 5.733 -4.550 1.00 0.00 N ATOM 1366 CA GLU A 92 -1.379 5.692 -3.555 1.00 0.00 C ATOM 1367 C GLU A 92 -2.030 4.307 -3.529 1.00 0.00 C ATOM 1368 O GLU A 92 -1.879 3.529 -4.469 1.00 0.00 O ATOM 1369 CB GLU A 92 -2.420 6.782 -3.816 1.00 0.00 C ATOM 1370 CG GLU A 92 -1.798 8.175 -3.692 1.00 0.00 C ATOM 1371 CD GLU A 92 -2.563 9.194 -4.538 1.00 0.00 C ATOM 1372 OE1 GLU A 92 -3.699 9.528 -4.136 1.00 0.00 O ATOM 1373 OE2 GLU A 92 -1.995 9.618 -5.568 1.00 0.00 O ATOM 0 H GLU A 92 -0.636 5.614 -5.513 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.938 5.883 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.842 6.656 -4.813 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.242 6.682 -3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.802 8.487 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.756 8.142 -4.010 1.00 0.00 H new ATOM 1380 N TRP A 93 -2.740 4.043 -2.442 1.00 0.00 N ATOM 1381 CA TRP A 93 -3.414 2.766 -2.282 1.00 0.00 C ATOM 1382 C TRP A 93 -4.771 3.027 -1.623 1.00 0.00 C ATOM 1383 O TRP A 93 -4.860 3.135 -0.401 1.00 0.00 O ATOM 1384 CB TRP A 93 -2.546 1.783 -1.494 1.00 0.00 C ATOM 1385 CG TRP A 93 -3.218 0.434 -1.229 1.00 0.00 C ATOM 1386 CD1 TRP A 93 -4.287 0.181 -0.462 1.00 0.00 C ATOM 1387 CD2 TRP A 93 -2.819 -0.845 -1.766 1.00 0.00 C ATOM 1388 NE1 TRP A 93 -4.605 -1.162 -0.465 1.00 0.00 N ATOM 1389 CE2 TRP A 93 -3.684 -1.806 -1.283 1.00 0.00 C ATOM 1390 CE3 TRP A 93 -1.762 -1.179 -2.631 1.00 0.00 C ATOM 1391 CZ2 TRP A 93 -3.581 -3.164 -1.609 1.00 0.00 C ATOM 1392 CZ3 TRP A 93 -1.673 -2.540 -2.947 1.00 0.00 C ATOM 1393 CH2 TRP A 93 -2.536 -3.520 -2.469 1.00 0.00 C ATOM 0 H TRP A 93 -2.863 4.691 -1.664 1.00 0.00 H new ATOM 0 HA TRP A 93 -3.582 2.294 -3.250 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -1.618 1.614 -2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -2.276 2.236 -0.540 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -4.831 0.933 0.089 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -5.375 -1.601 0.040 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -1.073 -0.444 -3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.271 -3.897 -1.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.878 -2.851 -3.609 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -2.400 -4.551 -2.760 1.00 0.00 H new ATOM 1404 N ASN A 94 -5.792 3.121 -2.462 1.00 0.00 N ATOM 1405 CA ASN A 94 -7.139 3.368 -1.976 1.00 0.00 C ATOM 1406 C ASN A 94 -7.234 4.803 -1.455 1.00 0.00 C ATOM 1407 O ASN A 94 -8.065 5.102 -0.599 1.00 0.00 O ATOM 1408 CB ASN A 94 -7.491 2.422 -0.826 1.00 0.00 C ATOM 1409 CG ASN A 94 -8.825 1.719 -1.083 1.00 0.00 C ATOM 1410 OD1 ASN A 94 -9.696 2.218 -1.777 1.00 0.00 O ATOM 1411 ND2 ASN A 94 -8.936 0.535 -0.487 1.00 0.00 N ATOM 0 H ASN A 94 -5.714 3.031 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.831 3.205 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.702 1.680 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.545 2.983 0.107 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.789 -0.014 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.168 0.176 0.080 1.00 0.00 H new ATOM 1418 N GLY A 95 -6.371 5.652 -1.993 1.00 0.00 N ATOM 1419 CA GLY A 95 -6.347 7.049 -1.593 1.00 0.00 C ATOM 1420 C GLY A 95 -5.230 7.310 -0.581 1.00 0.00 C ATOM 1421 O GLY A 95 -4.943 8.460 -0.251 1.00 0.00 O ATOM 0 H GLY A 95 -5.683 5.400 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.203 7.680 -2.470 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.308 7.323 -1.158 1.00 0.00 H new ATOM 1425 N ARG A 96 -4.630 6.224 -0.116 1.00 0.00 N ATOM 1426 CA ARG A 96 -3.551 6.321 0.852 1.00 0.00 C ATOM 1427 C ARG A 96 -2.206 6.456 0.136 1.00 0.00 C ATOM 1428 O ARG A 96 -1.806 5.567 -0.614 1.00 0.00 O ATOM 1429 CB ARG A 96 -3.515 5.092 1.763 1.00 0.00 C ATOM 1430 CG ARG A 96 -4.468 5.260 2.948 1.00 0.00 C ATOM 1431 CD ARG A 96 -3.752 5.895 4.141 1.00 0.00 C ATOM 1432 NE ARG A 96 -4.658 5.938 5.311 1.00 0.00 N ATOM 1433 CZ ARG A 96 -4.475 6.733 6.374 1.00 0.00 C ATOM 1434 NH1 ARG A 96 -3.419 7.556 6.422 1.00 0.00 N ATOM 1435 NH2 ARG A 96 -5.349 6.704 7.390 1.00 0.00 N ATOM 0 H ARG A 96 -4.871 5.272 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.732 7.206 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.790 4.204 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.500 4.935 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.314 5.882 2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.871 4.289 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.857 5.323 4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.426 6.903 3.886 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.473 5.324 5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.754 7.578 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.280 8.161 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.153 6.077 7.354 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.210 7.309 8.199 1.00 0.00 H new ATOM 1449 N LEU A 97 -1.545 7.575 0.392 1.00 0.00 N ATOM 1450 CA LEU A 97 -0.253 7.838 -0.219 1.00 0.00 C ATOM 1451 C LEU A 97 0.811 6.968 0.453 1.00 0.00 C ATOM 1452 O LEU A 97 0.872 6.893 1.680 1.00 0.00 O ATOM 1453 CB LEU A 97 0.063 9.335 -0.183 1.00 0.00 C ATOM 1454 CG LEU A 97 1.408 9.751 -0.781 1.00 0.00 C ATOM 1455 CD1 LEU A 97 1.210 10.569 -2.059 1.00 0.00 C ATOM 1456 CD2 LEU A 97 2.260 10.495 0.250 1.00 0.00 C ATOM 0 H LEU A 97 -1.880 8.310 1.014 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.268 7.565 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.728 9.866 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.030 9.668 0.854 1.00 0.00 H new ATOM 0 HG LEU A 97 1.953 8.848 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.182 10.852 -2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.671 9.971 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.636 11.467 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.211 10.779 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.733 11.390 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.444 9.846 1.106 1.00 0.00 H new ATOM 1468 N LEU A 98 1.623 6.333 -0.379 1.00 0.00 N ATOM 1469 CA LEU A 98 2.681 5.472 0.120 1.00 0.00 C ATOM 1470 C LEU A 98 4.005 6.240 0.113 1.00 0.00 C ATOM 1471 O LEU A 98 4.933 5.892 0.841 1.00 0.00 O ATOM 1472 CB LEU A 98 2.725 4.163 -0.671 1.00 0.00 C ATOM 1473 CG LEU A 98 1.376 3.489 -0.928 1.00 0.00 C ATOM 1474 CD1 LEU A 98 1.565 2.105 -1.553 1.00 0.00 C ATOM 1475 CD2 LEU A 98 0.540 3.431 0.352 1.00 0.00 C ATOM 0 H LEU A 98 1.569 6.398 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 98 2.484 5.187 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.200 4.358 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.364 3.460 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 98 0.823 4.094 -1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.591 1.648 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.093 2.203 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.146 1.477 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.414 2.947 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.076 2.862 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.361 4.443 0.716 1.00 0.00 H new ATOM 1487 N GLN A 99 4.049 7.270 -0.719 1.00 0.00 N ATOM 1488 CA GLN A 99 5.243 8.090 -0.831 1.00 0.00 C ATOM 1489 C GLN A 99 5.618 8.671 0.534 1.00 0.00 C ATOM 1490 O GLN A 99 4.882 9.485 1.089 1.00 0.00 O ATOM 1491 CB GLN A 99 5.050 9.201 -1.866 1.00 0.00 C ATOM 1492 CG GLN A 99 5.513 8.746 -3.251 1.00 0.00 C ATOM 1493 CD GLN A 99 5.466 9.903 -4.252 1.00 0.00 C ATOM 1494 OE1 GLN A 99 4.614 10.774 -4.194 1.00 0.00 O ATOM 1495 NE2 GLN A 99 6.428 9.863 -5.170 1.00 0.00 N ATOM 0 H GLN A 99 3.277 7.555 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 99 6.063 7.459 -1.173 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.999 9.487 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.610 10.086 -1.564 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.529 8.355 -3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.879 7.931 -3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.110 9.105 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.484 10.591 -5.883 1.00 0.00 H new ATOM 1504 N GLY A 100 6.763 8.230 1.034 1.00 0.00 N ATOM 1505 CA GLY A 100 7.245 8.696 2.324 1.00 0.00 C ATOM 1506 C GLY A 100 6.846 7.729 3.440 1.00 0.00 C ATOM 1507 O GLY A 100 7.526 7.640 4.461 1.00 0.00 O ATOM 0 H GLY A 100 7.371 7.555 0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.330 8.797 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.838 9.685 2.533 1.00 0.00 H new ATOM 1511 N ALA A 101 5.745 7.029 3.208 1.00 0.00 N ATOM 1512 CA ALA A 101 5.247 6.072 4.181 1.00 0.00 C ATOM 1513 C ALA A 101 6.311 4.999 4.425 1.00 0.00 C ATOM 1514 O ALA A 101 7.025 4.607 3.503 1.00 0.00 O ATOM 1515 CB ALA A 101 3.925 5.481 3.687 1.00 0.00 C ATOM 0 H ALA A 101 5.184 7.106 2.360 1.00 0.00 H new ATOM 0 HA ALA A 101 5.048 6.562 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.552 4.763 4.417 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.195 6.280 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.085 4.978 2.733 1.00 0.00 H new ATOM 1521 N THR A 102 6.382 4.554 5.670 1.00 0.00 N ATOM 1522 CA THR A 102 7.346 3.534 6.047 1.00 0.00 C ATOM 1523 C THR A 102 6.847 2.149 5.630 1.00 0.00 C ATOM 1524 O THR A 102 5.707 2.002 5.192 1.00 0.00 O ATOM 1525 CB THR A 102 7.606 3.660 7.549 1.00 0.00 C ATOM 1526 OG1 THR A 102 6.497 2.997 8.150 1.00 0.00 O ATOM 1527 CG2 THR A 102 7.490 5.103 8.044 1.00 0.00 C ATOM 0 H THR A 102 5.787 4.881 6.432 1.00 0.00 H new ATOM 0 HA THR A 102 8.294 3.674 5.527 1.00 0.00 H new ATOM 0 HB THR A 102 8.600 3.276 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.586 3.030 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 102 7.684 5.137 9.116 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.218 5.726 7.524 1.00 0.00 H new ATOM 0 HG23 THR A 102 6.485 5.476 7.845 1.00 0.00 H new ATOM 1535 N PHE A 103 7.725 1.169 5.782 1.00 0.00 N ATOM 1536 CA PHE A 103 7.388 -0.199 5.427 1.00 0.00 C ATOM 1537 C PHE A 103 6.105 -0.648 6.130 1.00 0.00 C ATOM 1538 O PHE A 103 5.247 -1.282 5.518 1.00 0.00 O ATOM 1539 CB PHE A 103 8.547 -1.082 5.895 1.00 0.00 C ATOM 1540 CG PHE A 103 8.317 -2.579 5.676 1.00 0.00 C ATOM 1541 CD1 PHE A 103 7.711 -3.322 6.640 1.00 0.00 C ATOM 1542 CD2 PHE A 103 8.720 -3.166 4.518 1.00 0.00 C ATOM 1543 CE1 PHE A 103 7.498 -4.711 6.437 1.00 0.00 C ATOM 1544 CE2 PHE A 103 8.507 -4.555 4.315 1.00 0.00 C ATOM 1545 CZ PHE A 103 7.900 -5.298 5.279 1.00 0.00 C ATOM 0 H PHE A 103 8.669 1.295 6.146 1.00 0.00 H new ATOM 0 HA PHE A 103 7.227 -0.275 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.453 -0.783 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 103 8.721 -0.903 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.392 -2.856 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 103 9.202 -2.576 3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.017 -5.301 7.203 1.00 0.00 H new ATOM 0 HE2 PHE A 103 8.827 -5.022 3.395 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.737 -6.354 5.124 1.00 0.00 H new ATOM 1555 N GLU A 104 6.015 -0.301 7.405 1.00 0.00 N ATOM 1556 CA GLU A 104 4.851 -0.660 8.198 1.00 0.00 C ATOM 1557 C GLU A 104 3.615 0.090 7.696 1.00 0.00 C ATOM 1558 O GLU A 104 2.576 -0.519 7.444 1.00 0.00 O ATOM 1559 CB GLU A 104 5.093 -0.384 9.683 1.00 0.00 C ATOM 1560 CG GLU A 104 6.039 -1.425 10.287 1.00 0.00 C ATOM 1561 CD GLU A 104 5.280 -2.392 11.198 1.00 0.00 C ATOM 1562 OE1 GLU A 104 4.160 -2.782 10.804 1.00 0.00 O ATOM 1563 OE2 GLU A 104 5.838 -2.719 12.268 1.00 0.00 O ATOM 0 H GLU A 104 6.729 0.225 7.909 1.00 0.00 H new ATOM 0 HA GLU A 104 4.674 -1.730 8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.516 0.613 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.144 -0.396 10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.530 -1.981 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.822 -0.924 10.855 1.00 0.00 H new ATOM 1570 N GLU A 105 3.769 1.399 7.566 1.00 0.00 N ATOM 1571 CA GLU A 105 2.678 2.238 7.098 1.00 0.00 C ATOM 1572 C GLU A 105 2.050 1.638 5.839 1.00 0.00 C ATOM 1573 O GLU A 105 0.864 1.312 5.827 1.00 0.00 O ATOM 1574 CB GLU A 105 3.157 3.669 6.845 1.00 0.00 C ATOM 1575 CG GLU A 105 2.996 4.531 8.098 1.00 0.00 C ATOM 1576 CD GLU A 105 1.553 4.496 8.606 1.00 0.00 C ATOM 1577 OE1 GLU A 105 0.659 4.839 7.802 1.00 0.00 O ATOM 1578 OE2 GLU A 105 1.376 4.126 9.787 1.00 0.00 O ATOM 0 H GLU A 105 4.632 1.900 7.776 1.00 0.00 H new ATOM 0 HA GLU A 105 1.916 2.278 7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.203 3.657 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.590 4.106 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.669 4.174 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.282 5.559 7.876 1.00 0.00 H new ATOM 1585 N VAL A 106 2.873 1.511 4.809 1.00 0.00 N ATOM 1586 CA VAL A 106 2.413 0.956 3.547 1.00 0.00 C ATOM 1587 C VAL A 106 1.595 -0.308 3.818 1.00 0.00 C ATOM 1588 O VAL A 106 0.475 -0.444 3.328 1.00 0.00 O ATOM 1589 CB VAL A 106 3.604 0.710 2.618 1.00 0.00 C ATOM 1590 CG1 VAL A 106 3.164 -0.011 1.342 1.00 0.00 C ATOM 1591 CG2 VAL A 106 4.323 2.019 2.289 1.00 0.00 C ATOM 0 H VAL A 106 3.856 1.783 4.822 1.00 0.00 H new ATOM 0 HA VAL A 106 1.759 1.662 3.035 1.00 0.00 H new ATOM 0 HB VAL A 106 4.309 0.064 3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.029 -0.174 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.719 -0.972 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.430 0.598 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.165 1.815 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.630 2.700 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.687 2.476 3.209 1.00 0.00 H new ATOM 1601 N TYR A 107 2.186 -1.200 4.599 1.00 0.00 N ATOM 1602 CA TYR A 107 1.526 -2.449 4.942 1.00 0.00 C ATOM 1603 C TYR A 107 0.191 -2.189 5.642 1.00 0.00 C ATOM 1604 O TYR A 107 -0.861 -2.591 5.149 1.00 0.00 O ATOM 1605 CB TYR A 107 2.465 -3.170 5.912 1.00 0.00 C ATOM 1606 CG TYR A 107 2.080 -4.625 6.184 1.00 0.00 C ATOM 1607 CD1 TYR A 107 0.876 -4.918 6.791 1.00 0.00 C ATOM 1608 CD2 TYR A 107 2.937 -5.645 5.823 1.00 0.00 C ATOM 1609 CE1 TYR A 107 0.513 -6.288 7.047 1.00 0.00 C ATOM 1610 CE2 TYR A 107 2.574 -7.015 6.079 1.00 0.00 C ATOM 1611 CZ TYR A 107 1.380 -7.269 6.679 1.00 0.00 C ATOM 1612 OH TYR A 107 1.038 -8.562 6.922 1.00 0.00 O ATOM 0 H TYR A 107 3.115 -1.083 5.004 1.00 0.00 H new ATOM 0 HA TYR A 107 1.322 -3.034 4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 107 3.478 -3.142 5.510 1.00 0.00 H new ATOM 0 HB3 TYR A 107 2.482 -2.627 6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.206 -4.120 7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 107 3.880 -5.416 5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.427 -6.531 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 107 3.235 -7.823 5.801 1.00 0.00 H new ATOM 0 HH TYR A 107 1.752 -9.154 6.605 1.00 0.00 H new ATOM 1622 N ASN A 108 0.277 -1.517 6.781 1.00 0.00 N ATOM 1623 CA ASN A 108 -0.911 -1.198 7.554 1.00 0.00 C ATOM 1624 C ASN A 108 -2.039 -0.792 6.604 1.00 0.00 C ATOM 1625 O ASN A 108 -3.152 -1.307 6.700 1.00 0.00 O ATOM 1626 CB ASN A 108 -0.651 -0.029 8.507 1.00 0.00 C ATOM 1627 CG ASN A 108 -0.111 -0.526 9.849 1.00 0.00 C ATOM 1628 OD1 ASN A 108 -0.832 -0.672 10.822 1.00 0.00 O ATOM 1629 ND2 ASN A 108 1.196 -0.775 9.847 1.00 0.00 N ATOM 0 H ASN A 108 1.152 -1.185 7.187 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.184 -2.081 8.132 1.00 0.00 H new ATOM 0 HB2 ASN A 108 0.063 0.660 8.056 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.575 0.528 8.666 1.00 0.00 H new ATOM 0 HD21 ASN A 108 1.653 -1.110 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 108 1.741 -0.631 8.997 1.00 0.00 H new ATOM 1636 N ILE A 109 -1.712 0.127 5.707 1.00 0.00 N ATOM 1637 CA ILE A 109 -2.684 0.608 4.740 1.00 0.00 C ATOM 1638 C ILE A 109 -3.392 -0.587 4.098 1.00 0.00 C ATOM 1639 O ILE A 109 -4.595 -0.769 4.278 1.00 0.00 O ATOM 1640 CB ILE A 109 -2.016 1.542 3.729 1.00 0.00 C ATOM 1641 CG1 ILE A 109 -1.452 2.785 4.421 1.00 0.00 C ATOM 1642 CG2 ILE A 109 -2.980 1.904 2.597 1.00 0.00 C ATOM 1643 CD1 ILE A 109 -0.512 3.553 3.488 1.00 0.00 C ATOM 0 H ILE A 109 -0.788 0.551 5.630 1.00 0.00 H new ATOM 0 HA ILE A 109 -3.450 1.206 5.234 1.00 0.00 H new ATOM 0 HB ILE A 109 -1.175 1.014 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -2.270 3.434 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -0.915 2.491 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -2.480 2.569 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.292 0.996 2.081 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.855 2.405 3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -0.125 4.432 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 109 0.318 2.909 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.058 3.866 2.598 1.00 0.00 H new ATOM 1655 N ILE A 110 -2.616 -1.370 3.363 1.00 0.00 N ATOM 1656 CA ILE A 110 -3.154 -2.542 2.694 1.00 0.00 C ATOM 1657 C ILE A 110 -4.020 -3.332 3.677 1.00 0.00 C ATOM 1658 O ILE A 110 -5.077 -3.842 3.308 1.00 0.00 O ATOM 1659 CB ILE A 110 -2.028 -3.365 2.067 1.00 0.00 C ATOM 1660 CG1 ILE A 110 -1.487 -2.685 0.808 1.00 0.00 C ATOM 1661 CG2 ILE A 110 -2.485 -4.799 1.792 1.00 0.00 C ATOM 1662 CD1 ILE A 110 0.031 -2.508 0.889 1.00 0.00 C ATOM 0 H ILE A 110 -1.619 -1.216 3.216 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.799 -2.246 1.867 1.00 0.00 H new ATOM 0 HB ILE A 110 -1.207 -3.420 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -1.741 -3.281 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.964 -1.713 0.682 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.666 -5.363 1.346 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.784 -5.271 2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.332 -4.786 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 110 0.390 -2.022 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 110 0.280 -1.892 1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 110 0.506 -3.484 0.990 1.00 0.00 H new ATOM 1674 N LEU A 111 -3.540 -3.410 4.910 1.00 0.00 N ATOM 1675 CA LEU A 111 -4.256 -4.130 5.948 1.00 0.00 C ATOM 1676 C LEU A 111 -5.552 -3.385 6.278 1.00 0.00 C ATOM 1677 O LEU A 111 -6.571 -4.006 6.575 1.00 0.00 O ATOM 1678 CB LEU A 111 -3.353 -4.360 7.162 1.00 0.00 C ATOM 1679 CG LEU A 111 -4.067 -4.651 8.483 1.00 0.00 C ATOM 1680 CD1 LEU A 111 -4.638 -6.070 8.497 1.00 0.00 C ATOM 1681 CD2 LEU A 111 -3.141 -4.394 9.674 1.00 0.00 C ATOM 0 H LEU A 111 -2.663 -2.986 5.213 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.538 -5.123 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.686 -5.193 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.727 -3.478 7.297 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.909 -3.965 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.140 -6.251 9.447 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -5.353 -6.183 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.829 -6.789 8.372 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.673 -4.608 10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.266 -5.039 9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.824 -3.351 9.670 1.00 0.00 H new ATOM 1693 N GLU A 112 -5.470 -2.064 6.215 1.00 0.00 N ATOM 1694 CA GLU A 112 -6.623 -1.228 6.503 1.00 0.00 C ATOM 1695 C GLU A 112 -7.619 -1.279 5.343 1.00 0.00 C ATOM 1696 O GLU A 112 -8.707 -0.713 5.430 1.00 0.00 O ATOM 1697 CB GLU A 112 -6.196 0.212 6.796 1.00 0.00 C ATOM 1698 CG GLU A 112 -5.727 0.361 8.245 1.00 0.00 C ATOM 1699 CD GLU A 112 -6.560 1.410 8.986 1.00 0.00 C ATOM 1700 OE1 GLU A 112 -7.799 1.248 8.994 1.00 0.00 O ATOM 1701 OE2 GLU A 112 -5.938 2.349 9.527 1.00 0.00 O ATOM 0 H GLU A 112 -4.623 -1.552 5.969 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.115 -1.616 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.393 0.502 6.118 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.031 0.888 6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.805 -0.598 8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.675 0.647 8.263 1.00 0.00 H new ATOM 1708 N SER A 113 -7.211 -1.964 4.285 1.00 0.00 N ATOM 1709 CA SER A 113 -8.054 -2.097 3.109 1.00 0.00 C ATOM 1710 C SER A 113 -8.498 -3.552 2.945 1.00 0.00 C ATOM 1711 O SER A 113 -9.016 -3.932 1.896 1.00 0.00 O ATOM 1712 CB SER A 113 -7.326 -1.619 1.852 1.00 0.00 C ATOM 1713 OG SER A 113 -6.688 -0.360 2.050 1.00 0.00 O ATOM 0 H SER A 113 -6.308 -2.433 4.218 1.00 0.00 H new ATOM 0 HA SER A 113 -8.934 -1.469 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.582 -2.360 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.037 -1.540 1.030 1.00 0.00 H new ATOM 0 HG SER A 113 -5.949 -0.464 2.685 1.00 0.00 H new ATOM 1719 N LYS A 114 -8.278 -4.327 3.997 1.00 0.00 N ATOM 1720 CA LYS A 114 -8.649 -5.731 3.983 1.00 0.00 C ATOM 1721 C LYS A 114 -10.172 -5.852 3.904 1.00 0.00 C ATOM 1722 O LYS A 114 -10.699 -6.554 3.042 1.00 0.00 O ATOM 1723 CB LYS A 114 -8.036 -6.460 5.181 1.00 0.00 C ATOM 1724 CG LYS A 114 -6.774 -7.223 4.772 1.00 0.00 C ATOM 1725 CD LYS A 114 -6.253 -8.079 5.927 1.00 0.00 C ATOM 1726 CE LYS A 114 -7.158 -9.289 6.164 1.00 0.00 C ATOM 1727 NZ LYS A 114 -6.695 -10.061 7.340 1.00 0.00 N ATOM 0 H LYS A 114 -7.847 -4.009 4.865 1.00 0.00 H new ATOM 0 HA LYS A 114 -8.244 -6.222 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.793 -5.741 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.765 -7.154 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.991 -7.858 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.003 -6.518 4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.240 -8.416 5.707 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.199 -7.478 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.185 -8.958 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.160 -9.927 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.321 -10.879 7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.723 -10.393 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.716 -9.454 8.184 1.00 0.00 H new ATOM 1741 N PRO A 115 -10.854 -5.137 4.838 1.00 0.00 N ATOM 1742 CA PRO A 115 -12.307 -5.157 4.882 1.00 0.00 C ATOM 1743 C PRO A 115 -12.901 -4.314 3.753 1.00 0.00 C ATOM 1744 O PRO A 115 -14.000 -4.595 3.275 1.00 0.00 O ATOM 1745 CB PRO A 115 -12.666 -4.637 6.265 1.00 0.00 C ATOM 1746 CG PRO A 115 -11.430 -3.910 6.770 1.00 0.00 C ATOM 1747 CD PRO A 115 -10.264 -4.294 5.874 1.00 0.00 C ATOM 0 HA PRO A 115 -12.719 -6.154 4.727 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -13.523 -3.965 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -12.938 -5.455 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -11.587 -2.832 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -11.222 -4.183 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -9.788 -3.413 5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -9.496 -4.831 6.431 1.00 0.00 H new ATOM 1755 N GLU A 116 -12.149 -3.297 3.358 1.00 0.00 N ATOM 1756 CA GLU A 116 -12.588 -2.410 2.294 1.00 0.00 C ATOM 1757 C GLU A 116 -13.246 -3.214 1.171 1.00 0.00 C ATOM 1758 O GLU A 116 -12.833 -4.336 0.882 1.00 0.00 O ATOM 1759 CB GLU A 116 -11.423 -1.575 1.761 1.00 0.00 C ATOM 1760 CG GLU A 116 -11.503 -0.134 2.269 1.00 0.00 C ATOM 1761 CD GLU A 116 -12.117 0.787 1.214 1.00 0.00 C ATOM 1762 OE1 GLU A 116 -11.600 0.770 0.075 1.00 0.00 O ATOM 1763 OE2 GLU A 116 -13.089 1.488 1.568 1.00 0.00 O ATOM 0 H GLU A 116 -11.238 -3.068 3.756 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.328 -1.722 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.479 -2.022 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.435 -1.581 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.101 -0.099 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.505 0.219 2.529 1.00 0.00 H new ATOM 1770 N PRO A 117 -14.285 -2.593 0.552 1.00 0.00 N ATOM 1771 CA PRO A 117 -15.004 -3.239 -0.533 1.00 0.00 C ATOM 1772 C PRO A 117 -14.181 -3.222 -1.823 1.00 0.00 C ATOM 1773 O PRO A 117 -14.335 -4.097 -2.674 1.00 0.00 O ATOM 1774 CB PRO A 117 -16.310 -2.471 -0.652 1.00 0.00 C ATOM 1775 CG PRO A 117 -16.078 -1.143 0.051 1.00 0.00 C ATOM 1776 CD PRO A 117 -14.802 -1.265 0.867 1.00 0.00 C ATOM 0 HA PRO A 117 -15.194 -4.295 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -16.579 -2.318 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -17.130 -3.020 -0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.990 -0.336 -0.677 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -16.922 -0.900 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.086 -0.488 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -15.003 -1.161 1.933 1.00 0.00 H new ATOM 1784 N GLN A 118 -13.325 -2.216 -1.927 1.00 0.00 N ATOM 1785 CA GLN A 118 -12.477 -2.073 -3.099 1.00 0.00 C ATOM 1786 C GLN A 118 -11.130 -1.463 -2.708 1.00 0.00 C ATOM 1787 O GLN A 118 -10.915 -1.115 -1.548 1.00 0.00 O ATOM 1788 CB GLN A 118 -13.167 -1.234 -4.176 1.00 0.00 C ATOM 1789 CG GLN A 118 -13.015 0.261 -3.889 1.00 0.00 C ATOM 1790 CD GLN A 118 -14.285 1.025 -4.269 1.00 0.00 C ATOM 1791 OE1 GLN A 118 -15.003 1.543 -3.430 1.00 0.00 O ATOM 1792 NE2 GLN A 118 -14.520 1.065 -5.577 1.00 0.00 N ATOM 0 H GLN A 118 -13.200 -1.492 -1.219 1.00 0.00 H new ATOM 0 HA GLN A 118 -12.298 -3.064 -3.517 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -12.740 -1.466 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -14.225 -1.493 -4.222 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -12.799 0.412 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -12.167 0.658 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -13.877 0.610 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.343 1.551 -5.933 1.00 0.00 H new ATOM 1801 N VAL A 119 -10.257 -1.351 -3.699 1.00 0.00 N ATOM 1802 CA VAL A 119 -8.937 -0.788 -3.473 1.00 0.00 C ATOM 1803 C VAL A 119 -8.459 -0.092 -4.748 1.00 0.00 C ATOM 1804 O VAL A 119 -8.190 -0.747 -5.754 1.00 0.00 O ATOM 1805 CB VAL A 119 -7.978 -1.880 -2.993 1.00 0.00 C ATOM 1806 CG1 VAL A 119 -8.548 -3.272 -3.272 1.00 0.00 C ATOM 1807 CG2 VAL A 119 -6.597 -1.715 -3.629 1.00 0.00 C ATOM 0 H VAL A 119 -10.438 -1.641 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.973 -0.035 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 119 -7.864 -1.775 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -7.847 -4.029 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -9.498 -3.387 -2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -8.706 -3.392 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -5.935 -2.504 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -6.686 -1.780 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -6.185 -0.744 -3.356 1.00 0.00 H new ATOM 1817 N GLU A 120 -8.367 1.228 -4.665 1.00 0.00 N ATOM 1818 CA GLU A 120 -7.926 2.020 -5.800 1.00 0.00 C ATOM 1819 C GLU A 120 -6.440 2.356 -5.668 1.00 0.00 C ATOM 1820 O GLU A 120 -6.065 3.240 -4.899 1.00 0.00 O ATOM 1821 CB GLU A 120 -8.765 3.292 -5.940 1.00 0.00 C ATOM 1822 CG GLU A 120 -8.424 4.035 -7.233 1.00 0.00 C ATOM 1823 CD GLU A 120 -8.861 5.499 -7.156 1.00 0.00 C ATOM 1824 OE1 GLU A 120 -8.218 6.244 -6.384 1.00 0.00 O ATOM 1825 OE2 GLU A 120 -9.828 5.841 -7.870 1.00 0.00 O ATOM 0 H GLU A 120 -8.590 1.768 -3.829 1.00 0.00 H new ATOM 0 HA GLU A 120 -8.066 1.430 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.824 3.036 -5.932 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.589 3.944 -5.085 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -7.351 3.981 -7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.915 3.549 -8.076 1.00 0.00 H new ATOM 1832 N LEU A 121 -5.632 1.632 -6.430 1.00 0.00 N ATOM 1833 CA LEU A 121 -4.195 1.842 -6.407 1.00 0.00 C ATOM 1834 C LEU A 121 -3.811 2.831 -7.509 1.00 0.00 C ATOM 1835 O LEU A 121 -4.605 3.103 -8.409 1.00 0.00 O ATOM 1836 CB LEU A 121 -3.457 0.504 -6.497 1.00 0.00 C ATOM 1837 CG LEU A 121 -3.903 -0.576 -5.509 1.00 0.00 C ATOM 1838 CD1 LEU A 121 -2.914 -1.744 -5.491 1.00 0.00 C ATOM 1839 CD2 LEU A 121 -4.120 0.013 -4.114 1.00 0.00 C ATOM 0 H LEU A 121 -5.946 0.900 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 121 -3.890 2.286 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.574 0.114 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.393 0.688 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.862 -0.971 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.254 -2.498 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.853 -2.184 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -1.930 -1.383 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.436 -0.776 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.189 0.451 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -4.890 0.783 -4.160 1.00 0.00 H new ATOM 1851 N VAL A 122 -2.594 3.343 -7.403 1.00 0.00 N ATOM 1852 CA VAL A 122 -2.095 4.297 -8.379 1.00 0.00 C ATOM 1853 C VAL A 122 -0.603 4.049 -8.612 1.00 0.00 C ATOM 1854 O VAL A 122 0.179 4.010 -7.663 1.00 0.00 O ATOM 1855 CB VAL A 122 -2.399 5.724 -7.919 1.00 0.00 C ATOM 1856 CG1 VAL A 122 -2.228 6.719 -9.069 1.00 0.00 C ATOM 1857 CG2 VAL A 122 -3.801 5.819 -7.316 1.00 0.00 C ATOM 0 H VAL A 122 -1.938 3.115 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.600 4.164 -9.336 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.682 5.985 -7.141 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.450 7.726 -8.715 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.202 6.681 -9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.910 6.460 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.991 6.844 -6.997 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.539 5.529 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.873 5.152 -6.457 1.00 0.00 H new ATOM 1867 N VAL A 123 -0.254 3.887 -9.880 1.00 0.00 N ATOM 1868 CA VAL A 123 1.130 3.644 -10.249 1.00 0.00 C ATOM 1869 C VAL A 123 1.621 4.780 -11.150 1.00 0.00 C ATOM 1870 O VAL A 123 0.852 5.327 -11.939 1.00 0.00 O ATOM 1871 CB VAL A 123 1.264 2.265 -10.899 1.00 0.00 C ATOM 1872 CG1 VAL A 123 1.664 1.209 -9.868 1.00 0.00 C ATOM 1873 CG2 VAL A 123 -0.029 1.870 -11.616 1.00 0.00 C ATOM 0 H VAL A 123 -0.905 3.919 -10.664 1.00 0.00 H new ATOM 0 HA VAL A 123 1.765 3.634 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 123 2.057 2.321 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.752 0.239 -10.357 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.621 1.480 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.904 1.155 -9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.092 0.886 -12.069 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.849 1.840 -10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.253 2.602 -12.392 1.00 0.00 H new ATOM 1883 N SER A 124 2.898 5.100 -11.002 1.00 0.00 N ATOM 1884 CA SER A 124 3.499 6.161 -11.792 1.00 0.00 C ATOM 1885 C SER A 124 4.735 5.632 -12.523 1.00 0.00 C ATOM 1886 O SER A 124 5.628 5.057 -11.903 1.00 0.00 O ATOM 1887 CB SER A 124 3.873 7.357 -10.914 1.00 0.00 C ATOM 1888 OG SER A 124 4.564 8.363 -11.649 1.00 0.00 O ATOM 0 H SER A 124 3.533 4.643 -10.347 1.00 0.00 H new ATOM 0 HA SER A 124 2.767 6.498 -12.526 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.970 7.783 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.497 7.019 -10.087 1.00 0.00 H new ATOM 0 HG SER A 124 4.784 9.110 -11.054 1.00 0.00 H new ATOM 1894 N ARG A 125 4.746 5.846 -13.830 1.00 0.00 N ATOM 1895 CA ARG A 125 5.858 5.398 -14.652 1.00 0.00 C ATOM 1896 C ARG A 125 6.228 6.473 -15.676 1.00 0.00 C ATOM 1897 O ARG A 125 5.436 7.374 -15.949 1.00 0.00 O ATOM 1898 CB ARG A 125 5.512 4.101 -15.386 1.00 0.00 C ATOM 1899 CG ARG A 125 4.130 4.191 -16.036 1.00 0.00 C ATOM 1900 CD ARG A 125 3.859 2.971 -16.919 1.00 0.00 C ATOM 1901 NE ARG A 125 3.969 1.732 -16.118 1.00 0.00 N ATOM 1902 CZ ARG A 125 3.565 0.526 -16.540 1.00 0.00 C ATOM 1903 NH1 ARG A 125 3.023 0.389 -17.758 1.00 0.00 N ATOM 1904 NH2 ARG A 125 3.704 -0.544 -15.745 1.00 0.00 N ATOM 0 H ARG A 125 4.003 6.323 -14.341 1.00 0.00 H new ATOM 0 HA ARG A 125 6.706 5.214 -13.992 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.264 3.899 -16.149 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.535 3.266 -14.686 1.00 0.00 H new ATOM 0 HG2 ARG A 125 3.365 4.262 -15.263 1.00 0.00 H new ATOM 0 HG3 ARG A 125 4.064 5.100 -16.635 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.864 3.043 -17.358 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.570 2.944 -17.745 1.00 0.00 H new ATOM 0 HE ARG A 125 4.378 1.800 -15.186 1.00 0.00 H new ATOM 0 HH11 ARG A 125 2.918 1.203 -18.364 1.00 0.00 H new ATOM 0 HH12 ARG A 125 2.716 -0.529 -18.079 1.00 0.00 H new ATOM 0 HH21 ARG A 125 4.117 -0.441 -14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.396 -1.462 -16.067 1.00 0.00 H new ATOM 1918 N SER A 126 7.431 6.343 -16.215 1.00 0.00 N ATOM 1919 CA SER A 126 7.915 7.292 -17.203 1.00 0.00 C ATOM 1920 C SER A 126 7.542 6.819 -18.609 1.00 0.00 C ATOM 1921 O SER A 126 7.916 5.721 -19.018 1.00 0.00 O ATOM 1922 CB SER A 126 9.430 7.480 -17.090 1.00 0.00 C ATOM 1923 OG SER A 126 10.145 6.547 -17.895 1.00 0.00 O ATOM 0 H SER A 126 8.085 5.595 -15.986 1.00 0.00 H new ATOM 0 HA SER A 126 7.441 8.255 -17.013 1.00 0.00 H new ATOM 0 HB2 SER A 126 9.693 8.494 -17.390 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.733 7.367 -16.049 1.00 0.00 H new ATOM 0 HG SER A 126 9.535 5.844 -18.200 1.00 0.00 H new ATOM 1929 N GLY A 127 6.811 7.672 -19.311 1.00 0.00 N ATOM 1930 CA GLY A 127 6.383 7.355 -20.663 1.00 0.00 C ATOM 1931 C GLY A 127 5.528 6.087 -20.685 1.00 0.00 C ATOM 1932 O GLY A 127 5.675 5.220 -19.825 1.00 0.00 O ATOM 0 H GLY A 127 6.504 8.583 -18.969 1.00 0.00 H new ATOM 0 HA2 GLY A 127 5.813 8.189 -21.073 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.256 7.220 -21.302 1.00 0.00 H new ATOM 1936 N PRO A 128 4.630 6.016 -21.704 1.00 0.00 N ATOM 1937 CA PRO A 128 3.752 4.868 -21.849 1.00 0.00 C ATOM 1938 C PRO A 128 4.515 3.659 -22.392 1.00 0.00 C ATOM 1939 O PRO A 128 5.559 3.811 -23.025 1.00 0.00 O ATOM 1940 CB PRO A 128 2.643 5.336 -22.778 1.00 0.00 C ATOM 1941 CG PRO A 128 3.184 6.568 -23.485 1.00 0.00 C ATOM 1942 CD PRO A 128 4.429 7.024 -22.741 1.00 0.00 C ATOM 0 HA PRO A 128 3.341 4.530 -20.898 1.00 0.00 H new ATOM 0 HB2 PRO A 128 2.380 4.558 -23.495 1.00 0.00 H new ATOM 0 HB3 PRO A 128 1.738 5.573 -22.218 1.00 0.00 H new ATOM 0 HG2 PRO A 128 3.423 6.338 -24.523 1.00 0.00 H new ATOM 0 HG3 PRO A 128 2.435 7.360 -23.498 1.00 0.00 H new ATOM 0 HD2 PRO A 128 5.289 7.084 -23.408 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.291 8.015 -22.309 1.00 0.00 H new ATOM 1950 N SER A 129 3.965 2.483 -22.124 1.00 0.00 N ATOM 1951 CA SER A 129 4.581 1.248 -22.578 1.00 0.00 C ATOM 1952 C SER A 129 4.469 1.135 -24.099 1.00 0.00 C ATOM 1953 O SER A 129 3.775 1.928 -24.735 1.00 0.00 O ATOM 1954 CB SER A 129 3.939 0.033 -21.906 1.00 0.00 C ATOM 1955 OG SER A 129 4.057 0.083 -20.487 1.00 0.00 O ATOM 0 H SER A 129 3.100 2.360 -21.598 1.00 0.00 H new ATOM 0 HA SER A 129 5.634 1.269 -22.299 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.885 -0.018 -22.180 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.410 -0.877 -22.277 1.00 0.00 H new ATOM 0 HG SER A 129 3.633 -0.709 -20.095 1.00 0.00 H new ATOM 1961 N SER A 130 5.160 0.143 -24.640 1.00 0.00 N ATOM 1962 CA SER A 130 5.147 -0.084 -26.075 1.00 0.00 C ATOM 1963 C SER A 130 5.038 -1.582 -26.367 1.00 0.00 C ATOM 1964 O SER A 130 5.378 -2.409 -25.522 1.00 0.00 O ATOM 1965 CB SER A 130 6.399 0.496 -26.737 1.00 0.00 C ATOM 1966 OG SER A 130 6.280 0.541 -28.156 1.00 0.00 O ATOM 0 H SER A 130 5.733 -0.513 -24.110 1.00 0.00 H new ATOM 0 HA SER A 130 4.279 0.426 -26.493 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.578 1.502 -26.356 1.00 0.00 H new ATOM 0 HB3 SER A 130 7.265 -0.107 -26.465 1.00 0.00 H new ATOM 0 HG SER A 130 7.098 0.919 -28.541 1.00 0.00 H new ATOM 1972 N GLY A 131 4.562 -1.886 -27.566 1.00 0.00 N ATOM 1973 CA GLY A 131 4.404 -3.270 -27.979 1.00 0.00 C ATOM 1974 C GLY A 131 2.928 -3.672 -27.995 1.00 0.00 C ATOM 1975 O GLY A 131 2.480 -4.437 -27.142 1.00 0.00 O ATOM 0 H GLY A 131 4.281 -1.198 -28.264 1.00 0.00 H new ATOM 0 HA2 GLY A 131 4.833 -3.408 -28.971 1.00 0.00 H new ATOM 0 HA3 GLY A 131 4.955 -3.921 -27.300 1.00 0.00 H new TER 1979 GLY A 131