USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 933 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 34 TYR OH : rot -125:sc= 0.981 USER MOD Set 1.2: A 103 GLN : amide:sc= -0.591 X(o=0.39,f=0.83) USER MOD Set 2.1: A 79 ASN : amide:sc= 0.0125 K(o=0.36,f=0.95) USER MOD Set 2.2: A 82 SER OG : rot -90:sc= 0.345 USER MOD Set 3.1: A 70 LYS NZ :NH3+ -109:sc= 0.0247 (180deg=0) USER MOD Set 3.2: B 119 A O3' : rot 170:sc= 1.26 USER MOD Set 4.1: A 22 GLN : amide:sc= -0.149 X(o=0.37,f=0.12) USER MOD Set 4.2: A 57 SER OG : rot -160:sc= 0.517 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0274 (180deg=-0.344) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.3) USER MOD Single : A 6 HIS : no HE2:sc= -0.221 K(o=-0.22,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= 0.0246 K(o=0.025,f=-1) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.339 K(o=-0.34,f=-5.7!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 12 SER OG : rot 171:sc= 0.644 USER MOD Single : A 19 SER OG : rot 112:sc= 1.4 USER MOD Single : A 20 HIS : no HD1:sc= 0.527 K(o=0.53,f=-2.5!) USER MOD Single : A 21 MET CE :methyl -166:sc= -0.018 (180deg=-0.255) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.02) USER MOD Single : A 30 ASN : amide:sc= 0.602 K(o=0.6,f=-7.2!) USER MOD Single : A 35 HIS : no HE2:sc= -2.24 K(o=-2.2,f=-6.7!) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 43 GLN : amide:sc= -0.199 K(o=-0.2,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.2) USER MOD Single : A 48 MET CE :methyl 167:sc=-0.00736 (180deg=-0.245) USER MOD Single : A 50 MET CE :methyl -176:sc= -0.122 (180deg=-0.13) USER MOD Single : A 54 ASN : amide:sc= 0.701 K(o=0.7,f=-0.54) USER MOD Single : A 59 LYS NZ :NH3+ 131:sc= -0.121 (180deg=-0.696) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 1.17 (180deg=1.05) USER MOD Single : A 65 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.027) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 67 ASN : amide:sc= -0.242 K(o=-0.24,f=-0.98) USER MOD Single : A 69 SER OG : rot 180:sc= 0.282 USER MOD Single : A 71 CYS SG : rot 9:sc= 0.25 USER MOD Single : A 76 SER OG : rot -168:sc= 0.129 USER MOD Single : A 77 TYR OH : rot -152:sc= 0.451 USER MOD Single : A 84 GLN : amide:sc= -1.85 K(o=-1.8,f=-0.39) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc=-0.000814 K(o=-0.00081,f=-1.1) USER MOD Single : A 94 GLN : amide:sc= -0.547 K(o=-0.55,f=-2.4) USER MOD Single : A 97 MET CE :methyl -167:sc= -0.0137 (180deg=-0.259) USER MOD Single : A 98 LYS NZ :NH3+ 166:sc= -0.0233 (180deg=-0.238) USER MOD Single : A 101 LYS NZ :NH3+ -178:sc= 0.0598 (180deg=0.0557) USER MOD Single : A 105 LYS NZ :NH3+ 156:sc= 2.13 (180deg=1.84) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -120:sc= -0.198 (180deg=-0.271) USER MOD Single : A 109 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 111 SER OG : rot -83:sc= 0.409 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.057) USER MOD Single : B 115 U O2' : rot 39:sc= 0.267 USER MOD Single : B 115 U O5' : rot 180:sc= 0 USER MOD Single : B 116 U O2' : rot -38:sc= 1.19 USER MOD Single : B 117 U O2' : rot -29:sc= 0.815 USER MOD Single : B 118 A O2' : rot 66:sc= 1.22 USER MOD Single : B 119 A O2' : rot 153:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.132 4.041 -10.595 1.00 0.00 N ATOM 2 CA MET A 1 19.580 5.219 -11.293 1.00 0.00 C ATOM 3 C MET A 1 20.695 6.142 -11.775 1.00 0.00 C ATOM 4 O MET A 1 20.832 6.367 -12.976 1.00 0.00 O ATOM 5 CB MET A 1 18.568 5.957 -10.413 1.00 0.00 C ATOM 6 CG MET A 1 18.001 7.176 -11.144 1.00 0.00 C ATOM 7 SD MET A 1 16.748 8.097 -10.213 1.00 0.00 S ATOM 8 CE MET A 1 15.429 6.858 -10.158 1.00 0.00 C ATOM 0 H1 MET A 1 19.353 3.429 -10.277 1.00 0.00 H new ATOM 0 H2 MET A 1 20.747 3.510 -11.244 1.00 0.00 H new ATOM 0 H3 MET A 1 20.685 4.353 -9.771 1.00 0.00 H new ATOM 0 HA MET A 1 19.045 4.870 -12.176 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.757 5.282 -10.139 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.047 6.273 -9.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.821 7.850 -11.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.565 6.847 -12.088 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.491 7.338 -9.880 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.323 6.396 -11.139 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.678 6.094 -9.422 1.00 0.00 H new ATOM 20 N GLY A 2 21.493 6.684 -10.848 1.00 0.00 N ATOM 21 CA GLY A 2 22.600 7.565 -11.193 1.00 0.00 C ATOM 22 C GLY A 2 23.472 7.861 -9.979 1.00 0.00 C ATOM 23 O GLY A 2 23.034 7.700 -8.839 1.00 0.00 O ATOM 0 H GLY A 2 21.386 6.522 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 2 23.205 7.104 -11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 2 22.211 8.498 -11.600 1.00 0.00 H new ATOM 27 N SER A 3 24.714 8.294 -10.225 1.00 0.00 N ATOM 28 CA SER A 3 25.675 8.596 -9.170 1.00 0.00 C ATOM 29 C SER A 3 25.452 9.987 -8.571 1.00 0.00 C ATOM 30 O SER A 3 26.121 10.353 -7.603 1.00 0.00 O ATOM 31 CB SER A 3 27.088 8.493 -9.744 1.00 0.00 C ATOM 32 OG SER A 3 27.269 9.464 -10.754 1.00 0.00 O ATOM 0 H SER A 3 25.077 8.444 -11.166 1.00 0.00 H new ATOM 0 HA SER A 3 25.539 7.874 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.823 8.638 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.252 7.496 -10.153 1.00 0.00 H new ATOM 0 HG SER A 3 28.177 9.394 -11.116 1.00 0.00 H new ATOM 38 N SER A 4 24.521 10.765 -9.129 1.00 0.00 N ATOM 39 CA SER A 4 24.221 12.105 -8.647 1.00 0.00 C ATOM 40 C SER A 4 22.793 12.492 -9.018 1.00 0.00 C ATOM 41 O SER A 4 22.244 11.969 -9.988 1.00 0.00 O ATOM 42 CB SER A 4 25.222 13.096 -9.249 1.00 0.00 C ATOM 43 OG SER A 4 24.954 14.409 -8.795 1.00 0.00 O ATOM 0 H SER A 4 23.956 10.478 -9.928 1.00 0.00 H new ATOM 0 HA SER A 4 24.307 12.128 -7.561 1.00 0.00 H new ATOM 0 HB2 SER A 4 26.237 12.810 -8.973 1.00 0.00 H new ATOM 0 HB3 SER A 4 25.166 13.063 -10.337 1.00 0.00 H new ATOM 0 HG SER A 4 25.603 15.030 -9.187 1.00 0.00 H new ATOM 49 N HIS A 5 22.193 13.404 -8.245 1.00 0.00 N ATOM 50 CA HIS A 5 20.814 13.839 -8.433 1.00 0.00 C ATOM 51 C HIS A 5 20.669 15.309 -8.055 1.00 0.00 C ATOM 52 O HIS A 5 21.524 15.864 -7.367 1.00 0.00 O ATOM 53 CB HIS A 5 19.885 12.978 -7.573 1.00 0.00 C ATOM 54 CG HIS A 5 20.020 11.500 -7.832 1.00 0.00 C ATOM 55 ND1 HIS A 5 19.538 10.831 -8.958 1.00 0.00 N ATOM 56 CD2 HIS A 5 20.609 10.599 -6.991 1.00 0.00 C ATOM 57 CE1 HIS A 5 19.861 9.541 -8.774 1.00 0.00 C ATOM 58 NE2 HIS A 5 20.506 9.373 -7.604 1.00 0.00 N ATOM 0 H HIS A 5 22.661 13.863 -7.464 1.00 0.00 H new ATOM 0 HA HIS A 5 20.541 13.723 -9.482 1.00 0.00 H new ATOM 0 HB2 HIS A 5 20.092 13.174 -6.521 1.00 0.00 H new ATOM 0 HB3 HIS A 5 18.853 13.278 -7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 5 21.065 10.808 -6.035 1.00 0.00 H new ATOM 0 HE1 HIS A 5 19.634 8.746 -9.469 1.00 0.00 H new ATOM 0 HE2 HIS A 5 20.857 8.489 -7.236 1.00 0.00 H new ATOM 66 N HIS A 6 19.578 15.942 -8.506 1.00 0.00 N ATOM 67 CA HIS A 6 19.287 17.337 -8.206 1.00 0.00 C ATOM 68 C HIS A 6 17.781 17.580 -8.281 1.00 0.00 C ATOM 69 O HIS A 6 17.061 16.824 -8.933 1.00 0.00 O ATOM 70 CB HIS A 6 20.051 18.234 -9.185 1.00 0.00 C ATOM 71 CG HIS A 6 20.220 19.648 -8.691 1.00 0.00 C ATOM 72 ND1 HIS A 6 19.222 20.622 -8.636 1.00 0.00 N ATOM 73 CD2 HIS A 6 21.395 20.186 -8.245 1.00 0.00 C ATOM 74 CE1 HIS A 6 19.819 21.723 -8.147 1.00 0.00 C ATOM 75 NE2 HIS A 6 21.121 21.491 -7.903 1.00 0.00 N ATOM 0 H HIS A 6 18.874 15.493 -9.091 1.00 0.00 H new ATOM 0 HA HIS A 6 19.612 17.578 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 6 21.034 17.802 -9.371 1.00 0.00 H new ATOM 0 HB3 HIS A 6 19.524 18.250 -10.139 1.00 0.00 H new ATOM 0 HD1 HIS A 6 18.245 20.520 -8.909 1.00 0.00 H new ATOM 0 HD2 HIS A 6 22.350 19.686 -8.175 1.00 0.00 H new ATOM 0 HE1 HIS A 6 19.321 22.665 -7.974 1.00 0.00 H new ATOM 83 N HIS A 7 17.303 18.633 -7.612 1.00 0.00 N ATOM 84 CA HIS A 7 15.889 18.974 -7.562 1.00 0.00 C ATOM 85 C HIS A 7 15.391 19.512 -8.903 1.00 0.00 C ATOM 86 O HIS A 7 16.183 19.919 -9.754 1.00 0.00 O ATOM 87 CB HIS A 7 15.656 20.010 -6.461 1.00 0.00 C ATOM 88 CG HIS A 7 16.137 19.560 -5.105 1.00 0.00 C ATOM 89 ND1 HIS A 7 17.478 19.461 -4.715 1.00 0.00 N ATOM 90 CD2 HIS A 7 15.336 19.216 -4.056 1.00 0.00 C ATOM 91 CE1 HIS A 7 17.444 19.052 -3.434 1.00 0.00 C ATOM 92 NE2 HIS A 7 16.176 18.898 -3.016 1.00 0.00 N ATOM 0 H HIS A 7 17.897 19.275 -7.087 1.00 0.00 H new ATOM 0 HA HIS A 7 15.326 18.067 -7.343 1.00 0.00 H new ATOM 0 HB2 HIS A 7 16.164 20.936 -6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 7 14.591 20.236 -6.404 1.00 0.00 H new ATOM 0 HD2 HIS A 7 14.256 19.197 -4.045 1.00 0.00 H new ATOM 0 HE1 HIS A 7 18.317 18.872 -2.824 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.887 18.597 -2.086 1.00 0.00 H new ATOM 100 N HIS A 8 14.064 19.514 -9.074 1.00 0.00 N ATOM 101 CA HIS A 8 13.387 19.992 -10.275 1.00 0.00 C ATOM 102 C HIS A 8 13.848 19.269 -11.544 1.00 0.00 C ATOM 103 O HIS A 8 14.645 18.332 -11.492 1.00 0.00 O ATOM 104 CB HIS A 8 13.563 21.509 -10.385 1.00 0.00 C ATOM 105 CG HIS A 8 13.171 22.237 -9.126 1.00 0.00 C ATOM 106 ND1 HIS A 8 11.874 22.331 -8.613 1.00 0.00 N ATOM 107 CD2 HIS A 8 14.023 22.938 -8.321 1.00 0.00 C ATOM 108 CE1 HIS A 8 11.985 23.077 -7.502 1.00 0.00 C ATOM 109 NE2 HIS A 8 13.258 23.453 -7.302 1.00 0.00 N ATOM 0 H HIS A 8 13.419 19.174 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 8 12.326 19.761 -10.182 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.604 21.733 -10.619 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.962 21.880 -11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 8 15.087 23.063 -8.458 1.00 0.00 H new ATOM 0 HE1 HIS A 8 11.160 23.339 -6.856 1.00 0.00 H new ATOM 0 HE2 HIS A 8 13.599 24.023 -6.527 1.00 0.00 H new ATOM 117 N HIS A 9 13.335 19.711 -12.695 1.00 0.00 N ATOM 118 CA HIS A 9 13.668 19.136 -13.991 1.00 0.00 C ATOM 119 C HIS A 9 13.562 20.215 -15.072 1.00 0.00 C ATOM 120 O HIS A 9 12.960 21.265 -14.845 1.00 0.00 O ATOM 121 CB HIS A 9 12.727 17.962 -14.272 1.00 0.00 C ATOM 122 CG HIS A 9 13.189 17.067 -15.391 1.00 0.00 C ATOM 123 ND1 HIS A 9 13.115 17.356 -16.756 1.00 0.00 N ATOM 124 CD2 HIS A 9 13.727 15.823 -15.231 1.00 0.00 C ATOM 125 CE1 HIS A 9 13.622 16.281 -17.379 1.00 0.00 C ATOM 126 NE2 HIS A 9 13.995 15.346 -16.488 1.00 0.00 N ATOM 0 H HIS A 9 12.672 20.484 -12.749 1.00 0.00 H new ATOM 0 HA HIS A 9 14.692 18.763 -13.991 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.621 17.368 -13.364 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.738 18.351 -14.515 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.907 15.313 -14.296 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.717 16.181 -18.450 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.406 14.439 -16.709 1.00 0.00 H new ATOM 134 N HIS A 10 14.147 19.960 -16.245 1.00 0.00 N ATOM 135 CA HIS A 10 14.133 20.904 -17.355 1.00 0.00 C ATOM 136 C HIS A 10 12.709 21.143 -17.864 1.00 0.00 C ATOM 137 O HIS A 10 12.435 22.181 -18.462 1.00 0.00 O ATOM 138 CB HIS A 10 15.022 20.355 -18.470 1.00 0.00 C ATOM 139 CG HIS A 10 15.142 21.288 -19.646 1.00 0.00 C ATOM 140 ND1 HIS A 10 15.766 22.538 -19.626 1.00 0.00 N ATOM 141 CD2 HIS A 10 14.689 21.032 -20.909 1.00 0.00 C ATOM 142 CE1 HIS A 10 15.665 23.007 -20.882 1.00 0.00 C ATOM 143 NE2 HIS A 10 15.023 22.126 -21.670 1.00 0.00 N ATOM 0 H HIS A 10 14.643 19.092 -16.448 1.00 0.00 H new ATOM 0 HA HIS A 10 14.516 21.866 -17.015 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.016 20.156 -18.069 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.619 19.401 -18.811 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.171 20.145 -21.243 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.047 23.961 -21.213 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.819 22.249 -22.662 1.00 0.00 H new ATOM 151 N SER A 11 11.803 20.188 -17.630 1.00 0.00 N ATOM 152 CA SER A 11 10.399 20.332 -17.990 1.00 0.00 C ATOM 153 C SER A 11 9.527 19.378 -17.185 1.00 0.00 C ATOM 154 O SER A 11 9.898 18.224 -16.967 1.00 0.00 O ATOM 155 CB SER A 11 10.211 20.081 -19.487 1.00 0.00 C ATOM 156 OG SER A 11 8.835 20.126 -19.808 1.00 0.00 O ATOM 0 H SER A 11 12.027 19.297 -17.186 1.00 0.00 H new ATOM 0 HA SER A 11 10.091 21.352 -17.757 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.753 20.831 -20.062 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.626 19.110 -19.758 1.00 0.00 H new ATOM 0 HG SER A 11 8.718 19.967 -20.768 1.00 0.00 H new ATOM 162 N SER A 12 8.361 19.859 -16.746 1.00 0.00 N ATOM 163 CA SER A 12 7.395 19.041 -16.026 1.00 0.00 C ATOM 164 C SER A 12 6.398 18.397 -16.990 1.00 0.00 C ATOM 165 O SER A 12 5.625 17.530 -16.589 1.00 0.00 O ATOM 166 CB SER A 12 6.665 19.903 -14.998 1.00 0.00 C ATOM 167 OG SER A 12 5.892 20.891 -15.651 1.00 0.00 O ATOM 0 H SER A 12 8.065 20.826 -16.882 1.00 0.00 H new ATOM 0 HA SER A 12 7.926 18.239 -15.512 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.022 19.278 -14.379 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.386 20.376 -14.332 1.00 0.00 H new ATOM 0 HG SER A 12 5.318 21.342 -14.997 1.00 0.00 H new ATOM 173 N GLY A 13 6.412 18.821 -18.259 1.00 0.00 N ATOM 174 CA GLY A 13 5.519 18.296 -19.279 1.00 0.00 C ATOM 175 C GLY A 13 6.116 17.087 -19.996 1.00 0.00 C ATOM 176 O GLY A 13 5.470 16.506 -20.866 1.00 0.00 O ATOM 0 H GLY A 13 7.048 19.541 -18.601 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.571 18.014 -18.820 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.301 19.078 -20.007 1.00 0.00 H new ATOM 180 N LEU A 14 7.346 16.706 -19.637 1.00 0.00 N ATOM 181 CA LEU A 14 8.039 15.592 -20.264 1.00 0.00 C ATOM 182 C LEU A 14 7.306 14.280 -19.993 1.00 0.00 C ATOM 183 O LEU A 14 6.900 14.008 -18.865 1.00 0.00 O ATOM 184 CB LEU A 14 9.484 15.560 -19.753 1.00 0.00 C ATOM 185 CG LEU A 14 10.263 14.338 -20.256 1.00 0.00 C ATOM 186 CD1 LEU A 14 10.409 14.359 -21.779 1.00 0.00 C ATOM 187 CD2 LEU A 14 11.656 14.352 -19.637 1.00 0.00 C ATOM 0 H LEU A 14 7.884 17.166 -18.902 1.00 0.00 H new ATOM 0 HA LEU A 14 8.055 15.723 -21.346 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.997 16.468 -20.069 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.480 15.560 -18.663 1.00 0.00 H new ATOM 0 HG LEU A 14 9.714 13.441 -19.970 1.00 0.00 H new ATOM 0 HD11 LEU A 14 10.966 13.480 -22.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.421 14.353 -22.239 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.945 15.259 -22.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.219 13.487 -19.988 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.175 15.265 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.572 14.314 -18.551 1.00 0.00 H new ATOM 199 N VAL A 15 7.142 13.468 -21.040 1.00 0.00 N ATOM 200 CA VAL A 15 6.483 12.170 -20.955 1.00 0.00 C ATOM 201 C VAL A 15 7.404 11.075 -20.416 1.00 0.00 C ATOM 202 O VAL A 15 8.625 11.230 -20.451 1.00 0.00 O ATOM 203 CB VAL A 15 5.862 11.790 -22.307 1.00 0.00 C ATOM 204 CG1 VAL A 15 5.190 12.994 -22.973 1.00 0.00 C ATOM 205 CG2 VAL A 15 6.924 11.237 -23.256 1.00 0.00 C ATOM 0 H VAL A 15 7.468 13.699 -21.979 1.00 0.00 H new ATOM 0 HA VAL A 15 5.676 12.261 -20.227 1.00 0.00 H new ATOM 0 HB VAL A 15 5.111 11.026 -22.107 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.761 12.689 -23.928 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.400 13.374 -22.325 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.930 13.777 -23.141 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.461 10.975 -24.207 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.692 11.992 -23.422 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.378 10.349 -22.816 1.00 0.00 H new ATOM 215 N PRO A 16 6.847 9.966 -19.917 1.00 0.00 N ATOM 216 CA PRO A 16 7.615 8.833 -19.426 1.00 0.00 C ATOM 217 C PRO A 16 8.572 8.289 -20.490 1.00 0.00 C ATOM 218 O PRO A 16 8.160 8.023 -21.621 1.00 0.00 O ATOM 219 CB PRO A 16 6.577 7.785 -19.023 1.00 0.00 C ATOM 220 CG PRO A 16 5.326 8.612 -18.733 1.00 0.00 C ATOM 221 CD PRO A 16 5.425 9.730 -19.766 1.00 0.00 C ATOM 0 HA PRO A 16 8.250 9.118 -18.587 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.405 7.064 -19.822 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.896 7.220 -18.147 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.415 8.026 -18.854 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.322 8.999 -17.714 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.970 9.437 -20.712 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.908 10.628 -19.428 1.00 0.00 H new ATOM 229 N ARG A 17 9.845 8.128 -20.116 1.00 0.00 N ATOM 230 CA ARG A 17 10.905 7.661 -21.003 1.00 0.00 C ATOM 231 C ARG A 17 12.088 7.163 -20.180 1.00 0.00 C ATOM 232 O ARG A 17 12.071 7.250 -18.953 1.00 0.00 O ATOM 233 CB ARG A 17 11.309 8.797 -21.961 1.00 0.00 C ATOM 234 CG ARG A 17 11.694 10.114 -21.274 1.00 0.00 C ATOM 235 CD ARG A 17 13.094 10.113 -20.650 1.00 0.00 C ATOM 236 NE ARG A 17 14.146 9.945 -21.660 1.00 0.00 N ATOM 237 CZ ARG A 17 14.571 10.922 -22.470 1.00 0.00 C ATOM 238 NH1 ARG A 17 14.049 12.143 -22.403 1.00 0.00 N ATOM 239 NH2 ARG A 17 15.530 10.678 -23.357 1.00 0.00 N ATOM 0 H ARG A 17 10.170 8.324 -19.169 1.00 0.00 H new ATOM 0 HA ARG A 17 10.549 6.825 -21.604 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.150 8.460 -22.566 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.481 8.989 -22.644 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.634 10.922 -22.003 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.962 10.332 -20.496 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.253 11.049 -20.114 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.164 9.309 -19.917 1.00 0.00 H new ATOM 0 HE ARG A 17 14.580 9.026 -21.750 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.313 12.347 -21.727 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.385 12.876 -23.028 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.941 9.747 -23.420 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.855 11.422 -23.975 1.00 0.00 H new ATOM 253 N GLY A 18 13.120 6.640 -20.848 1.00 0.00 N ATOM 254 CA GLY A 18 14.313 6.148 -20.173 1.00 0.00 C ATOM 255 C GLY A 18 15.564 6.375 -21.015 1.00 0.00 C ATOM 256 O GLY A 18 15.492 6.406 -22.243 1.00 0.00 O ATOM 0 H GLY A 18 13.148 6.548 -21.863 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.423 6.652 -19.213 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.202 5.084 -19.964 1.00 0.00 H new ATOM 260 N SER A 19 16.704 6.532 -20.336 1.00 0.00 N ATOM 261 CA SER A 19 18.008 6.831 -20.927 1.00 0.00 C ATOM 262 C SER A 19 18.059 8.109 -21.766 1.00 0.00 C ATOM 263 O SER A 19 17.070 8.530 -22.368 1.00 0.00 O ATOM 264 CB SER A 19 18.544 5.631 -21.707 1.00 0.00 C ATOM 265 OG SER A 19 18.993 4.636 -20.815 1.00 0.00 O ATOM 0 H SER A 19 16.743 6.451 -19.320 1.00 0.00 H new ATOM 0 HA SER A 19 18.664 7.030 -20.080 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.763 5.227 -22.351 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.362 5.945 -22.356 1.00 0.00 H new ATOM 0 HG SER A 19 18.400 3.858 -20.867 1.00 0.00 H new ATOM 271 N HIS A 20 19.238 8.733 -21.803 1.00 0.00 N ATOM 272 CA HIS A 20 19.476 9.921 -22.613 1.00 0.00 C ATOM 273 C HIS A 20 19.846 9.530 -24.043 1.00 0.00 C ATOM 274 O HIS A 20 19.779 10.360 -24.948 1.00 0.00 O ATOM 275 CB HIS A 20 20.605 10.729 -21.982 1.00 0.00 C ATOM 276 CG HIS A 20 21.896 9.956 -21.878 1.00 0.00 C ATOM 277 ND1 HIS A 20 22.118 8.859 -21.044 1.00 0.00 N ATOM 278 CD2 HIS A 20 23.040 10.240 -22.566 1.00 0.00 C ATOM 279 CE1 HIS A 20 23.398 8.506 -21.255 1.00 0.00 C ATOM 280 NE2 HIS A 20 23.974 9.316 -22.160 1.00 0.00 N ATOM 0 H HIS A 20 20.052 8.426 -21.271 1.00 0.00 H new ATOM 0 HA HIS A 20 18.567 10.521 -22.650 1.00 0.00 H new ATOM 0 HB2 HIS A 20 20.774 11.630 -22.572 1.00 0.00 H new ATOM 0 HB3 HIS A 20 20.300 11.053 -20.987 1.00 0.00 H new ATOM 0 HD2 HIS A 20 23.183 11.032 -23.286 1.00 0.00 H new ATOM 0 HE1 HIS A 20 23.896 7.683 -20.764 1.00 0.00 H new ATOM 0 HE2 HIS A 20 24.938 9.256 -22.489 1.00 0.00 H new ATOM 288 N MET A 21 20.238 8.270 -24.252 1.00 0.00 N ATOM 289 CA MET A 21 20.630 7.770 -25.563 1.00 0.00 C ATOM 290 C MET A 21 19.418 7.479 -26.445 1.00 0.00 C ATOM 291 O MET A 21 19.561 7.330 -27.656 1.00 0.00 O ATOM 292 CB MET A 21 21.474 6.506 -25.388 1.00 0.00 C ATOM 293 CG MET A 21 22.748 6.811 -24.596 1.00 0.00 C ATOM 294 SD MET A 21 23.848 5.388 -24.374 1.00 0.00 S ATOM 295 CE MET A 21 22.807 4.350 -23.320 1.00 0.00 C ATOM 0 H MET A 21 20.291 7.570 -23.512 1.00 0.00 H new ATOM 0 HA MET A 21 21.215 8.541 -26.063 1.00 0.00 H new ATOM 0 HB2 MET A 21 20.892 5.743 -24.871 1.00 0.00 H new ATOM 0 HB3 MET A 21 21.736 6.099 -26.365 1.00 0.00 H new ATOM 0 HG2 MET A 21 23.297 7.604 -25.105 1.00 0.00 H new ATOM 0 HG3 MET A 21 22.469 7.196 -23.615 1.00 0.00 H new ATOM 0 HE1 MET A 21 23.410 3.554 -22.884 1.00 0.00 H new ATOM 0 HE2 MET A 21 22.376 4.957 -22.524 1.00 0.00 H new ATOM 0 HE3 MET A 21 22.006 3.913 -23.917 1.00 0.00 H new ATOM 305 N GLN A 22 18.225 7.404 -25.846 1.00 0.00 N ATOM 306 CA GLN A 22 17.001 7.131 -26.579 1.00 0.00 C ATOM 307 C GLN A 22 16.179 8.412 -26.691 1.00 0.00 C ATOM 308 O GLN A 22 16.281 9.294 -25.836 1.00 0.00 O ATOM 309 CB GLN A 22 16.199 6.019 -25.895 1.00 0.00 C ATOM 310 CG GLN A 22 17.071 4.822 -25.490 1.00 0.00 C ATOM 311 CD GLN A 22 18.042 4.367 -26.580 1.00 0.00 C ATOM 312 OE1 GLN A 22 19.177 4.007 -26.280 1.00 0.00 O ATOM 313 NE2 GLN A 22 17.625 4.373 -27.845 1.00 0.00 N ATOM 0 H GLN A 22 18.089 7.531 -24.843 1.00 0.00 H new ATOM 0 HA GLN A 22 17.252 6.786 -27.582 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.709 6.423 -25.009 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.412 5.679 -26.567 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.639 5.084 -24.597 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.423 3.987 -25.222 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.677 4.677 -28.068 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.254 4.074 -28.591 1.00 0.00 H new ATOM 322 N LYS A 23 15.370 8.519 -27.746 1.00 0.00 N ATOM 323 CA LYS A 23 14.580 9.712 -28.015 1.00 0.00 C ATOM 324 C LYS A 23 13.309 9.362 -28.779 1.00 0.00 C ATOM 325 O LYS A 23 13.221 8.311 -29.411 1.00 0.00 O ATOM 326 CB LYS A 23 15.411 10.754 -28.777 1.00 0.00 C ATOM 327 CG LYS A 23 15.912 10.269 -30.139 1.00 0.00 C ATOM 328 CD LYS A 23 17.191 9.424 -30.081 1.00 0.00 C ATOM 329 CE LYS A 23 18.342 10.213 -29.457 1.00 0.00 C ATOM 330 NZ LYS A 23 19.609 9.457 -29.534 1.00 0.00 N ATOM 0 H LYS A 23 15.247 7.778 -28.436 1.00 0.00 H new ATOM 0 HA LYS A 23 14.287 10.147 -27.060 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.809 11.651 -28.920 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.267 11.039 -28.166 1.00 0.00 H new ATOM 0 HG2 LYS A 23 15.125 9.683 -30.614 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.092 11.135 -30.775 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.008 8.520 -29.500 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.467 9.106 -31.086 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.453 11.168 -29.971 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.111 10.436 -28.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.406 10.093 -29.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.594 8.683 -28.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.720 9.062 -30.490 1.00 0.00 H new ATOM 344 N GLU A 24 12.325 10.260 -28.714 1.00 0.00 N ATOM 345 CA GLU A 24 11.021 10.060 -29.332 1.00 0.00 C ATOM 346 C GLU A 24 10.786 11.021 -30.492 1.00 0.00 C ATOM 347 O GLU A 24 11.491 12.019 -30.641 1.00 0.00 O ATOM 348 CB GLU A 24 9.926 10.250 -28.287 1.00 0.00 C ATOM 349 CG GLU A 24 10.074 9.257 -27.132 1.00 0.00 C ATOM 350 CD GLU A 24 8.854 9.283 -26.213 1.00 0.00 C ATOM 351 OE1 GLU A 24 8.823 8.437 -25.289 1.00 0.00 O ATOM 352 OE2 GLU A 24 7.968 10.135 -26.437 1.00 0.00 O ATOM 0 H GLU A 24 12.415 11.152 -28.227 1.00 0.00 H new ATOM 0 HA GLU A 24 10.995 9.045 -29.728 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.964 11.268 -27.900 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.950 10.123 -28.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.210 8.251 -27.530 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.969 9.496 -26.558 1.00 0.00 H new ATOM 359 N GLY A 25 9.782 10.705 -31.312 1.00 0.00 N ATOM 360 CA GLY A 25 9.329 11.552 -32.397 1.00 0.00 C ATOM 361 C GLY A 25 8.145 12.411 -31.954 1.00 0.00 C ATOM 362 O GLY A 25 7.802 12.439 -30.770 1.00 0.00 O ATOM 0 H GLY A 25 9.256 9.835 -31.232 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.145 12.193 -32.730 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.040 10.937 -33.249 1.00 0.00 H new ATOM 366 N PRO A 26 7.511 13.117 -32.899 1.00 0.00 N ATOM 367 CA PRO A 26 6.347 13.951 -32.649 1.00 0.00 C ATOM 368 C PRO A 26 5.137 13.092 -32.287 1.00 0.00 C ATOM 369 O PRO A 26 5.215 11.863 -32.258 1.00 0.00 O ATOM 370 CB PRO A 26 6.122 14.714 -33.958 1.00 0.00 C ATOM 371 CG PRO A 26 6.666 13.757 -35.014 1.00 0.00 C ATOM 372 CD PRO A 26 7.868 13.137 -34.303 1.00 0.00 C ATOM 0 HA PRO A 26 6.494 14.630 -31.809 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.067 14.935 -34.120 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.652 15.666 -33.966 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.930 13.005 -35.299 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.957 14.280 -35.925 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.068 12.131 -34.673 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.771 13.724 -34.471 1.00 0.00 H new ATOM 380 N GLU A 27 4.003 13.738 -32.002 1.00 0.00 N ATOM 381 CA GLU A 27 2.776 13.031 -31.664 1.00 0.00 C ATOM 382 C GLU A 27 2.362 12.085 -32.792 1.00 0.00 C ATOM 383 O GLU A 27 2.377 12.460 -33.964 1.00 0.00 O ATOM 384 CB GLU A 27 1.675 14.051 -31.353 1.00 0.00 C ATOM 385 CG GLU A 27 0.289 13.414 -31.223 1.00 0.00 C ATOM 386 CD GLU A 27 0.182 12.427 -30.059 1.00 0.00 C ATOM 387 OE1 GLU A 27 1.127 12.364 -29.241 1.00 0.00 O ATOM 388 OE2 GLU A 27 -0.859 11.735 -29.998 1.00 0.00 O ATOM 0 H GLU A 27 3.915 14.754 -32.000 1.00 0.00 H new ATOM 0 HA GLU A 27 2.945 12.417 -30.779 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.919 14.569 -30.426 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.651 14.803 -32.142 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.454 14.201 -31.092 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.046 12.897 -32.152 1.00 0.00 H new ATOM 395 N GLY A 28 1.986 10.856 -32.428 1.00 0.00 N ATOM 396 CA GLY A 28 1.514 9.856 -33.376 1.00 0.00 C ATOM 397 C GLY A 28 2.656 9.141 -34.103 1.00 0.00 C ATOM 398 O GLY A 28 2.397 8.272 -34.935 1.00 0.00 O ATOM 0 H GLY A 28 2.002 10.530 -31.462 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.908 9.119 -32.848 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.866 10.335 -34.110 1.00 0.00 H new ATOM 402 N ALA A 29 3.910 9.492 -33.794 1.00 0.00 N ATOM 403 CA ALA A 29 5.075 8.944 -34.464 1.00 0.00 C ATOM 404 C ALA A 29 5.831 7.917 -33.615 1.00 0.00 C ATOM 405 O ALA A 29 6.923 7.500 -33.991 1.00 0.00 O ATOM 406 CB ALA A 29 5.988 10.088 -34.878 1.00 0.00 C ATOM 0 H ALA A 29 4.137 10.169 -33.066 1.00 0.00 H new ATOM 0 HA ALA A 29 4.731 8.401 -35.344 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.867 9.687 -35.383 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.453 10.754 -35.555 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.299 10.644 -33.993 1.00 0.00 H new ATOM 412 N ASN A 30 5.270 7.507 -32.473 1.00 0.00 N ATOM 413 CA ASN A 30 5.929 6.576 -31.563 1.00 0.00 C ATOM 414 C ASN A 30 5.187 5.242 -31.535 1.00 0.00 C ATOM 415 O ASN A 30 3.958 5.215 -31.543 1.00 0.00 O ATOM 416 CB ASN A 30 6.042 7.219 -30.181 1.00 0.00 C ATOM 417 CG ASN A 30 6.851 8.506 -30.256 1.00 0.00 C ATOM 418 OD1 ASN A 30 8.023 8.492 -30.616 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.226 9.628 -29.913 1.00 0.00 N ATOM 0 H ASN A 30 4.349 7.812 -32.158 1.00 0.00 H new ATOM 0 HA ASN A 30 6.939 6.360 -31.912 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.047 7.430 -29.789 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.516 6.524 -29.488 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.723 10.518 -29.944 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.250 9.599 -29.619 1.00 0.00 H new ATOM 426 N LEU A 31 5.935 4.133 -31.500 1.00 0.00 N ATOM 427 CA LEU A 31 5.383 2.800 -31.686 1.00 0.00 C ATOM 428 C LEU A 31 5.767 1.837 -30.569 1.00 0.00 C ATOM 429 O LEU A 31 6.723 2.049 -29.826 1.00 0.00 O ATOM 430 CB LEU A 31 5.886 2.237 -33.020 1.00 0.00 C ATOM 431 CG LEU A 31 4.784 2.168 -34.081 1.00 0.00 C ATOM 432 CD1 LEU A 31 4.211 3.549 -34.380 1.00 0.00 C ATOM 433 CD2 LEU A 31 5.388 1.608 -35.366 1.00 0.00 C ATOM 0 H LEU A 31 6.942 4.142 -31.341 1.00 0.00 H new ATOM 0 HA LEU A 31 4.297 2.894 -31.675 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.702 2.859 -33.388 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.294 1.239 -32.859 1.00 0.00 H new ATOM 0 HG LEU A 31 3.981 1.534 -33.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.432 3.463 -35.137 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.787 3.972 -33.469 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.004 4.200 -34.748 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.618 1.551 -36.135 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.192 2.261 -35.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.786 0.611 -35.177 1.00 0.00 H new ATOM 445 N PHE A 32 4.983 0.764 -30.483 1.00 0.00 N ATOM 446 CA PHE A 32 5.165 -0.370 -29.596 1.00 0.00 C ATOM 447 C PHE A 32 5.133 -1.722 -30.283 1.00 0.00 C ATOM 448 O PHE A 32 4.349 -1.916 -31.205 1.00 0.00 O ATOM 449 CB PHE A 32 4.202 -0.338 -28.416 1.00 0.00 C ATOM 450 CG PHE A 32 4.695 0.459 -27.239 1.00 0.00 C ATOM 451 CD1 PHE A 32 4.532 1.845 -27.201 1.00 0.00 C ATOM 452 CD2 PHE A 32 5.320 -0.214 -26.181 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.000 2.562 -26.091 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.775 0.502 -25.070 1.00 0.00 C ATOM 455 CZ PHE A 32 5.623 1.894 -25.029 1.00 0.00 C ATOM 0 H PHE A 32 4.154 0.663 -31.069 1.00 0.00 H new ATOM 0 HA PHE A 32 6.181 -0.254 -29.218 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.251 0.077 -28.749 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.008 -1.361 -28.092 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.050 2.360 -28.019 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.450 -1.285 -26.224 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.880 3.635 -26.054 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.242 -0.016 -24.246 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.986 2.452 -24.179 1.00 0.00 H new ATOM 465 N ILE A 33 5.980 -2.651 -29.840 1.00 0.00 N ATOM 466 CA ILE A 33 6.057 -3.976 -30.426 1.00 0.00 C ATOM 467 C ILE A 33 6.123 -4.992 -29.293 1.00 0.00 C ATOM 468 O ILE A 33 6.838 -4.770 -28.319 1.00 0.00 O ATOM 469 CB ILE A 33 7.277 -4.087 -31.352 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.343 -2.989 -32.429 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.239 -5.447 -32.056 1.00 0.00 C ATOM 472 CD1 ILE A 33 7.996 -1.695 -31.939 1.00 0.00 C ATOM 0 H ILE A 33 6.628 -2.500 -29.067 1.00 0.00 H new ATOM 0 HA ILE A 33 5.176 -4.171 -31.037 1.00 0.00 H new ATOM 0 HB ILE A 33 8.158 -3.971 -30.721 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.899 -3.365 -33.287 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.333 -2.769 -32.775 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.101 -5.539 -32.717 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.266 -6.243 -31.312 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.323 -5.529 -32.641 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.009 -0.965 -32.748 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.427 -1.296 -31.099 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.018 -1.901 -31.620 1.00 0.00 H new ATOM 484 N TYR A 34 5.392 -6.097 -29.415 1.00 0.00 N ATOM 485 CA TYR A 34 5.370 -7.134 -28.392 1.00 0.00 C ATOM 486 C TYR A 34 5.333 -8.477 -29.124 1.00 0.00 C ATOM 487 O TYR A 34 5.297 -8.536 -30.353 1.00 0.00 O ATOM 488 CB TYR A 34 4.096 -6.984 -27.556 1.00 0.00 C ATOM 489 CG TYR A 34 3.692 -5.565 -27.209 1.00 0.00 C ATOM 490 CD1 TYR A 34 2.790 -4.877 -28.034 1.00 0.00 C ATOM 491 CD2 TYR A 34 4.196 -4.937 -26.062 1.00 0.00 C ATOM 492 CE1 TYR A 34 2.357 -3.588 -27.694 1.00 0.00 C ATOM 493 CE2 TYR A 34 3.794 -3.636 -25.726 1.00 0.00 C ATOM 494 CZ TYR A 34 2.856 -2.964 -26.532 1.00 0.00 C ATOM 495 OH TYR A 34 2.430 -1.712 -26.199 1.00 0.00 O ATOM 0 H TYR A 34 4.802 -6.297 -30.222 1.00 0.00 H new ATOM 0 HA TYR A 34 6.238 -7.064 -27.737 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.274 -7.453 -28.096 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.227 -7.541 -26.628 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.427 -5.344 -28.938 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.900 -5.459 -25.431 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.643 -3.074 -28.320 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.203 -3.151 -24.852 1.00 0.00 H new ATOM 0 HH TYR A 34 3.204 -1.119 -26.100 1.00 0.00 H new ATOM 505 N HIS A 35 5.343 -9.562 -28.339 1.00 0.00 N ATOM 506 CA HIS A 35 5.339 -10.941 -28.820 1.00 0.00 C ATOM 507 C HIS A 35 6.599 -11.301 -29.612 1.00 0.00 C ATOM 508 O HIS A 35 6.594 -12.273 -30.363 1.00 0.00 O ATOM 509 CB HIS A 35 4.064 -11.257 -29.610 1.00 0.00 C ATOM 510 CG HIS A 35 2.760 -10.899 -28.940 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.511 -10.999 -29.526 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.582 -10.427 -27.669 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.596 -10.602 -28.625 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.226 -10.250 -27.487 1.00 0.00 N ATOM 0 H HIS A 35 5.354 -9.498 -27.321 1.00 0.00 H new ATOM 0 HA HIS A 35 5.347 -11.575 -27.933 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.114 -10.734 -30.565 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.054 -12.324 -29.832 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.318 -11.318 -30.475 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.358 -10.230 -26.944 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.471 -10.570 -28.787 1.00 0.00 H new ATOM 523 N LEU A 36 7.673 -10.519 -29.455 1.00 0.00 N ATOM 524 CA LEU A 36 8.935 -10.773 -30.141 1.00 0.00 C ATOM 525 C LEU A 36 9.562 -12.071 -29.622 1.00 0.00 C ATOM 526 O LEU A 36 9.434 -12.387 -28.441 1.00 0.00 O ATOM 527 CB LEU A 36 9.898 -9.607 -29.880 1.00 0.00 C ATOM 528 CG LEU A 36 9.418 -8.300 -30.512 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.266 -7.147 -29.978 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.567 -8.344 -32.034 1.00 0.00 C ATOM 0 H LEU A 36 7.687 -9.697 -28.851 1.00 0.00 H new ATOM 0 HA LEU A 36 8.748 -10.868 -31.211 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.011 -9.467 -28.805 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.883 -9.858 -30.274 1.00 0.00 H new ATOM 0 HG LEU A 36 8.367 -8.160 -30.260 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.930 -6.211 -30.424 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.162 -7.090 -28.894 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.312 -7.316 -30.234 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.219 -7.403 -32.461 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.615 -8.494 -32.293 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.973 -9.166 -32.434 1.00 0.00 H new ATOM 542 N PRO A 37 10.244 -12.831 -30.487 1.00 0.00 N ATOM 543 CA PRO A 37 10.973 -14.020 -30.086 1.00 0.00 C ATOM 544 C PRO A 37 12.228 -13.618 -29.314 1.00 0.00 C ATOM 545 O PRO A 37 12.661 -12.469 -29.370 1.00 0.00 O ATOM 546 CB PRO A 37 11.292 -14.748 -31.388 1.00 0.00 C ATOM 547 CG PRO A 37 11.431 -13.600 -32.388 1.00 0.00 C ATOM 548 CD PRO A 37 10.376 -12.601 -31.912 1.00 0.00 C ATOM 0 HA PRO A 37 10.407 -14.668 -29.417 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.209 -15.332 -31.311 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.497 -15.438 -31.671 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.432 -13.169 -32.371 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.243 -13.930 -33.410 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.684 -11.576 -32.118 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.427 -12.757 -32.425 1.00 0.00 H new ATOM 556 N GLN A 38 12.822 -14.570 -28.590 1.00 0.00 N ATOM 557 CA GLN A 38 13.948 -14.295 -27.708 1.00 0.00 C ATOM 558 C GLN A 38 15.221 -13.946 -28.487 1.00 0.00 C ATOM 559 O GLN A 38 16.169 -13.401 -27.920 1.00 0.00 O ATOM 560 CB GLN A 38 14.157 -15.518 -26.808 1.00 0.00 C ATOM 561 CG GLN A 38 15.307 -15.303 -25.817 1.00 0.00 C ATOM 562 CD GLN A 38 15.314 -16.350 -24.707 1.00 0.00 C ATOM 563 OE1 GLN A 38 14.522 -17.289 -24.706 1.00 0.00 O ATOM 564 NE2 GLN A 38 16.215 -16.195 -23.736 1.00 0.00 N ATOM 0 H GLN A 38 12.534 -15.548 -28.602 1.00 0.00 H new ATOM 0 HA GLN A 38 13.724 -13.419 -27.100 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.239 -15.728 -26.260 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.367 -16.392 -27.425 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.256 -15.336 -26.352 1.00 0.00 H new ATOM 0 HG3 GLN A 38 15.224 -14.309 -25.377 1.00 0.00 H new ATOM 0 HE21 GLN A 38 16.861 -15.406 -23.761 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.258 -16.865 -22.968 1.00 0.00 H new ATOM 573 N GLU A 39 15.260 -14.254 -29.789 1.00 0.00 N ATOM 574 CA GLU A 39 16.429 -13.990 -30.616 1.00 0.00 C ATOM 575 C GLU A 39 16.519 -12.520 -31.042 1.00 0.00 C ATOM 576 O GLU A 39 17.536 -12.110 -31.600 1.00 0.00 O ATOM 577 CB GLU A 39 16.411 -14.926 -31.828 1.00 0.00 C ATOM 578 CG GLU A 39 15.174 -14.728 -32.706 1.00 0.00 C ATOM 579 CD GLU A 39 15.097 -15.764 -33.829 1.00 0.00 C ATOM 580 OE1 GLU A 39 14.066 -15.761 -34.540 1.00 0.00 O ATOM 581 OE2 GLU A 39 16.057 -16.555 -33.973 1.00 0.00 O ATOM 0 H GLU A 39 14.485 -14.690 -30.290 1.00 0.00 H new ATOM 0 HA GLU A 39 17.322 -14.187 -30.023 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.307 -14.758 -32.426 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.446 -15.960 -31.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.277 -14.794 -32.090 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.192 -13.727 -33.137 1.00 0.00 H new ATOM 588 N PHE A 40 15.475 -11.723 -30.793 1.00 0.00 N ATOM 589 CA PHE A 40 15.496 -10.293 -31.072 1.00 0.00 C ATOM 590 C PHE A 40 16.340 -9.443 -30.130 1.00 0.00 C ATOM 591 O PHE A 40 16.631 -9.845 -29.005 1.00 0.00 O ATOM 592 CB PHE A 40 14.096 -9.708 -31.299 1.00 0.00 C ATOM 593 CG PHE A 40 13.537 -9.899 -32.696 1.00 0.00 C ATOM 594 CD1 PHE A 40 12.957 -8.813 -33.369 1.00 0.00 C ATOM 595 CD2 PHE A 40 13.594 -11.153 -33.319 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.419 -8.986 -34.653 1.00 0.00 C ATOM 597 CE2 PHE A 40 13.069 -11.322 -34.608 1.00 0.00 C ATOM 598 CZ PHE A 40 12.477 -10.240 -35.272 1.00 0.00 C ATOM 0 H PHE A 40 14.597 -12.054 -30.394 1.00 0.00 H new ATOM 0 HA PHE A 40 16.031 -10.232 -32.020 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.409 -10.162 -30.585 1.00 0.00 H new ATOM 0 HB3 PHE A 40 14.125 -8.641 -31.079 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.925 -7.842 -32.898 1.00 0.00 H new ATOM 0 HD2 PHE A 40 14.043 -11.990 -32.806 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.960 -8.152 -35.164 1.00 0.00 H new ATOM 0 HE2 PHE A 40 13.121 -12.287 -35.089 1.00 0.00 H new ATOM 0 HZ PHE A 40 12.065 -10.373 -36.262 1.00 0.00 H new ATOM 608 N GLY A 41 16.732 -8.262 -30.607 1.00 0.00 N ATOM 609 CA GLY A 41 17.505 -7.310 -29.833 1.00 0.00 C ATOM 610 C GLY A 41 17.300 -5.905 -30.379 1.00 0.00 C ATOM 611 O GLY A 41 16.626 -5.723 -31.391 1.00 0.00 O ATOM 0 H GLY A 41 16.516 -7.943 -31.551 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.203 -7.350 -28.786 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.562 -7.572 -29.870 1.00 0.00 H new ATOM 615 N ASP A 42 17.880 -4.905 -29.713 1.00 0.00 N ATOM 616 CA ASP A 42 17.711 -3.506 -30.090 1.00 0.00 C ATOM 617 C ASP A 42 18.128 -3.190 -31.525 1.00 0.00 C ATOM 618 O ASP A 42 17.472 -2.416 -32.216 1.00 0.00 O ATOM 619 CB ASP A 42 18.424 -2.587 -29.091 1.00 0.00 C ATOM 620 CG ASP A 42 19.852 -3.016 -28.726 1.00 0.00 C ATOM 621 OD1 ASP A 42 20.386 -3.938 -29.379 1.00 0.00 O ATOM 622 OD2 ASP A 42 20.394 -2.406 -27.779 1.00 0.00 O ATOM 0 H ASP A 42 18.479 -5.045 -28.899 1.00 0.00 H new ATOM 0 HA ASP A 42 16.639 -3.314 -30.053 1.00 0.00 H new ATOM 0 HB2 ASP A 42 18.457 -1.580 -29.506 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.831 -2.536 -28.178 1.00 0.00 H new ATOM 627 N GLN A 43 19.228 -3.802 -31.966 1.00 0.00 N ATOM 628 CA GLN A 43 19.741 -3.626 -33.317 1.00 0.00 C ATOM 629 C GLN A 43 18.889 -4.389 -34.330 1.00 0.00 C ATOM 630 O GLN A 43 18.767 -3.977 -35.481 1.00 0.00 O ATOM 631 CB GLN A 43 21.185 -4.126 -33.340 1.00 0.00 C ATOM 632 CG GLN A 43 21.868 -3.885 -34.692 1.00 0.00 C ATOM 633 CD GLN A 43 22.114 -2.403 -34.982 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.818 -1.534 -34.166 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.664 -2.107 -36.155 1.00 0.00 N ATOM 0 H GLN A 43 19.786 -4.434 -31.392 1.00 0.00 H new ATOM 0 HA GLN A 43 19.702 -2.573 -33.595 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.752 -3.625 -32.556 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.201 -5.192 -33.113 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.820 -4.416 -34.712 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.251 -4.307 -35.485 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.898 -2.852 -36.811 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.852 -1.135 -36.399 1.00 0.00 H new ATOM 644 N ASP A 44 18.298 -5.506 -33.897 1.00 0.00 N ATOM 645 CA ASP A 44 17.476 -6.328 -34.771 1.00 0.00 C ATOM 646 C ASP A 44 16.087 -5.763 -35.053 1.00 0.00 C ATOM 647 O ASP A 44 15.602 -5.862 -36.178 1.00 0.00 O ATOM 648 CB ASP A 44 17.401 -7.764 -34.252 1.00 0.00 C ATOM 649 CG ASP A 44 18.712 -8.530 -34.441 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.733 -9.723 -34.060 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.684 -7.935 -34.961 1.00 0.00 O ATOM 0 H ASP A 44 18.378 -5.857 -32.943 1.00 0.00 H new ATOM 0 HA ASP A 44 17.980 -6.323 -35.737 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.143 -7.750 -33.193 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.599 -8.291 -34.769 1.00 0.00 H new ATOM 656 N ILE A 45 15.445 -5.165 -34.042 1.00 0.00 N ATOM 657 CA ILE A 45 14.143 -4.545 -34.240 1.00 0.00 C ATOM 658 C ILE A 45 14.328 -3.243 -35.018 1.00 0.00 C ATOM 659 O ILE A 45 13.412 -2.794 -35.701 1.00 0.00 O ATOM 660 CB ILE A 45 13.461 -4.302 -32.888 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.998 -3.916 -33.112 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.179 -3.210 -32.091 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.235 -3.843 -31.793 1.00 0.00 C ATOM 0 H ILE A 45 15.807 -5.101 -33.090 1.00 0.00 H new ATOM 0 HA ILE A 45 13.496 -5.207 -34.816 1.00 0.00 H new ATOM 0 HB ILE A 45 13.510 -5.224 -32.309 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.948 -2.952 -33.617 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.524 -4.645 -33.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.671 -3.062 -31.138 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.211 -3.511 -31.909 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.167 -2.279 -32.657 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.199 -3.566 -31.987 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.265 -4.815 -31.301 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.695 -3.095 -31.147 1.00 0.00 H new ATOM 675 N LEU A 46 15.512 -2.628 -34.918 1.00 0.00 N ATOM 676 CA LEU A 46 15.817 -1.431 -35.682 1.00 0.00 C ATOM 677 C LEU A 46 15.825 -1.768 -37.170 1.00 0.00 C ATOM 678 O LEU A 46 15.163 -1.102 -37.959 1.00 0.00 O ATOM 679 CB LEU A 46 17.179 -0.888 -35.236 1.00 0.00 C ATOM 680 CG LEU A 46 17.653 0.285 -36.099 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.754 1.506 -35.942 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.082 0.658 -35.711 1.00 0.00 C ATOM 0 H LEU A 46 16.269 -2.946 -34.313 1.00 0.00 H new ATOM 0 HA LEU A 46 15.060 -0.667 -35.507 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.116 -0.568 -34.196 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.918 -1.688 -35.279 1.00 0.00 H new ATOM 0 HG LEU A 46 17.612 -0.031 -37.141 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.126 2.315 -36.571 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.738 1.251 -36.242 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.755 1.827 -34.900 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.420 1.493 -36.325 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.110 0.946 -34.660 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.738 -0.198 -35.870 1.00 0.00 H new ATOM 694 N GLN A 47 16.569 -2.807 -37.557 1.00 0.00 N ATOM 695 CA GLN A 47 16.668 -3.226 -38.950 1.00 0.00 C ATOM 696 C GLN A 47 15.335 -3.732 -39.489 1.00 0.00 C ATOM 697 O GLN A 47 15.120 -3.733 -40.701 1.00 0.00 O ATOM 698 CB GLN A 47 17.736 -4.318 -39.064 1.00 0.00 C ATOM 699 CG GLN A 47 19.130 -3.739 -38.792 1.00 0.00 C ATOM 700 CD GLN A 47 19.697 -2.987 -39.992 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.079 -2.907 -41.052 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.891 -2.426 -39.833 1.00 0.00 N ATOM 0 H GLN A 47 17.117 -3.377 -36.913 1.00 0.00 H new ATOM 0 HA GLN A 47 16.948 -2.361 -39.552 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.524 -5.118 -38.355 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.708 -4.760 -40.060 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.079 -3.065 -37.937 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.809 -4.548 -38.521 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.379 -2.510 -38.941 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.319 -1.912 -40.603 1.00 0.00 H new ATOM 711 N MET A 48 14.434 -4.162 -38.599 1.00 0.00 N ATOM 712 CA MET A 48 13.102 -4.597 -38.987 1.00 0.00 C ATOM 713 C MET A 48 12.209 -3.393 -39.281 1.00 0.00 C ATOM 714 O MET A 48 11.276 -3.498 -40.074 1.00 0.00 O ATOM 715 CB MET A 48 12.519 -5.456 -37.859 1.00 0.00 C ATOM 716 CG MET A 48 11.068 -5.863 -38.122 1.00 0.00 C ATOM 717 SD MET A 48 10.820 -6.972 -39.534 1.00 0.00 S ATOM 718 CE MET A 48 11.620 -8.469 -38.897 1.00 0.00 C ATOM 0 H MET A 48 14.613 -4.215 -37.596 1.00 0.00 H new ATOM 0 HA MET A 48 13.157 -5.191 -39.900 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.128 -6.352 -37.737 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.574 -4.904 -36.921 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.676 -6.347 -37.228 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.478 -4.961 -38.281 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.363 -9.317 -39.532 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.701 -8.331 -38.895 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.277 -8.660 -37.880 1.00 0.00 H new ATOM 728 N PHE A 49 12.494 -2.251 -38.643 1.00 0.00 N ATOM 729 CA PHE A 49 11.684 -1.050 -38.767 1.00 0.00 C ATOM 730 C PHE A 49 12.225 0.095 -39.622 1.00 0.00 C ATOM 731 O PHE A 49 11.492 1.028 -39.937 1.00 0.00 O ATOM 732 CB PHE A 49 11.136 -0.607 -37.411 1.00 0.00 C ATOM 733 CG PHE A 49 9.977 -1.447 -36.907 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.189 -2.772 -36.504 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.688 -0.902 -36.843 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.117 -3.551 -36.049 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.611 -1.683 -36.402 1.00 0.00 C ATOM 738 CZ PHE A 49 7.824 -3.011 -36.005 1.00 0.00 C ATOM 0 H PHE A 49 13.298 -2.142 -38.025 1.00 0.00 H new ATOM 0 HA PHE A 49 10.850 -1.372 -39.391 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.941 -0.641 -36.677 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.814 0.432 -37.483 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.182 -3.194 -36.544 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.523 0.125 -37.135 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.287 -4.569 -35.732 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.617 -1.262 -36.368 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.995 -3.615 -35.667 1.00 0.00 H new ATOM 748 N MET A 50 13.503 0.043 -40.004 1.00 0.00 N ATOM 749 CA MET A 50 14.087 1.085 -40.839 1.00 0.00 C ATOM 750 C MET A 50 13.518 1.176 -42.264 1.00 0.00 C ATOM 751 O MET A 50 13.488 2.282 -42.799 1.00 0.00 O ATOM 752 CB MET A 50 15.612 0.940 -40.896 1.00 0.00 C ATOM 753 CG MET A 50 16.261 1.458 -39.612 1.00 0.00 C ATOM 754 SD MET A 50 18.032 1.814 -39.752 1.00 0.00 S ATOM 755 CE MET A 50 18.661 0.151 -40.079 1.00 0.00 C ATOM 0 H MET A 50 14.147 -0.706 -39.748 1.00 0.00 H new ATOM 0 HA MET A 50 13.808 2.019 -40.352 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.876 -0.107 -41.044 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.001 1.491 -41.752 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.745 2.366 -39.300 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.113 0.721 -38.823 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.750 0.176 -40.122 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.345 -0.521 -39.281 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.268 -0.206 -41.031 1.00 0.00 H new ATOM 765 N PRO A 51 13.064 0.092 -42.919 1.00 0.00 N ATOM 766 CA PRO A 51 12.523 0.205 -44.265 1.00 0.00 C ATOM 767 C PRO A 51 11.150 0.880 -44.278 1.00 0.00 C ATOM 768 O PRO A 51 10.642 1.219 -45.347 1.00 0.00 O ATOM 769 CB PRO A 51 12.444 -1.229 -44.786 1.00 0.00 C ATOM 770 CG PRO A 51 12.207 -2.044 -43.520 1.00 0.00 C ATOM 771 CD PRO A 51 13.038 -1.292 -42.480 1.00 0.00 C ATOM 0 HA PRO A 51 13.154 0.833 -44.894 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.633 -1.353 -45.503 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.364 -1.526 -45.290 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.151 -2.076 -43.250 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.538 -3.076 -43.634 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.595 -1.379 -41.488 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.046 -1.701 -42.416 1.00 0.00 H new ATOM 779 N PHE A 52 10.542 1.080 -43.105 1.00 0.00 N ATOM 780 CA PHE A 52 9.241 1.719 -42.990 1.00 0.00 C ATOM 781 C PHE A 52 9.363 3.246 -42.924 1.00 0.00 C ATOM 782 O PHE A 52 8.372 3.952 -43.105 1.00 0.00 O ATOM 783 CB PHE A 52 8.536 1.183 -41.748 1.00 0.00 C ATOM 784 CG PHE A 52 8.333 -0.316 -41.752 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.538 -1.046 -40.573 1.00 0.00 C ATOM 786 CD2 PHE A 52 7.943 -0.981 -42.924 1.00 0.00 C ATOM 787 CE1 PHE A 52 8.368 -2.438 -40.569 1.00 0.00 C ATOM 788 CE2 PHE A 52 7.776 -2.371 -42.920 1.00 0.00 C ATOM 789 CZ PHE A 52 7.991 -3.102 -41.742 1.00 0.00 C ATOM 0 H PHE A 52 10.944 0.800 -42.210 1.00 0.00 H new ATOM 0 HA PHE A 52 8.656 1.485 -43.879 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.116 1.458 -40.867 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.565 1.670 -41.656 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.827 -0.536 -39.666 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.771 -0.420 -43.831 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.528 -2.998 -39.660 1.00 0.00 H new ATOM 0 HE2 PHE A 52 7.481 -2.881 -43.825 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.866 -4.175 -41.740 1.00 0.00 H new ATOM 799 N GLY A 53 10.572 3.755 -42.669 1.00 0.00 N ATOM 800 CA GLY A 53 10.822 5.184 -42.577 1.00 0.00 C ATOM 801 C GLY A 53 12.034 5.479 -41.699 1.00 0.00 C ATOM 802 O GLY A 53 12.733 4.563 -41.268 1.00 0.00 O ATOM 0 H GLY A 53 11.402 3.181 -42.521 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.985 5.592 -43.575 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.944 5.683 -42.168 1.00 0.00 H new ATOM 806 N ASN A 54 12.286 6.761 -41.429 1.00 0.00 N ATOM 807 CA ASN A 54 13.430 7.163 -40.631 1.00 0.00 C ATOM 808 C ASN A 54 13.161 6.912 -39.151 1.00 0.00 C ATOM 809 O ASN A 54 12.444 7.673 -38.501 1.00 0.00 O ATOM 810 CB ASN A 54 13.741 8.635 -40.895 1.00 0.00 C ATOM 811 CG ASN A 54 14.799 9.170 -39.935 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.712 8.451 -39.543 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.678 10.440 -39.559 1.00 0.00 N ATOM 0 H ASN A 54 11.708 7.535 -41.755 1.00 0.00 H new ATOM 0 HA ASN A 54 14.298 6.567 -40.914 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.087 8.755 -41.922 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.829 9.223 -40.795 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.360 10.850 -38.921 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.903 11.004 -39.909 1.00 0.00 H new ATOM 820 N VAL A 55 13.746 5.836 -38.624 1.00 0.00 N ATOM 821 CA VAL A 55 13.635 5.489 -37.216 1.00 0.00 C ATOM 822 C VAL A 55 14.628 6.323 -36.415 1.00 0.00 C ATOM 823 O VAL A 55 15.827 6.292 -36.694 1.00 0.00 O ATOM 824 CB VAL A 55 13.909 3.992 -37.042 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.906 3.611 -35.567 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.838 3.172 -37.764 1.00 0.00 C ATOM 0 H VAL A 55 14.310 5.182 -39.167 1.00 0.00 H new ATOM 0 HA VAL A 55 12.630 5.701 -36.851 1.00 0.00 H new ATOM 0 HB VAL A 55 14.889 3.779 -37.468 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.103 2.544 -35.467 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.680 4.173 -35.044 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.933 3.843 -35.133 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.043 2.110 -37.633 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.858 3.406 -37.348 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.848 3.415 -38.826 1.00 0.00 H new ATOM 836 N ILE A 56 14.143 7.068 -35.417 1.00 0.00 N ATOM 837 CA ILE A 56 15.018 7.887 -34.581 1.00 0.00 C ATOM 838 C ILE A 56 15.621 7.041 -33.462 1.00 0.00 C ATOM 839 O ILE A 56 16.755 7.270 -33.045 1.00 0.00 O ATOM 840 CB ILE A 56 14.233 9.059 -33.977 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.397 9.785 -35.036 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.212 10.036 -33.322 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.726 11.030 -34.452 1.00 0.00 C ATOM 0 H ILE A 56 13.154 7.119 -35.171 1.00 0.00 H new ATOM 0 HA ILE A 56 15.821 8.281 -35.204 1.00 0.00 H new ATOM 0 HB ILE A 56 13.545 8.663 -33.230 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.034 10.071 -35.873 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.637 9.110 -35.429 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.659 10.871 -32.891 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.766 9.523 -32.536 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.909 10.411 -34.072 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.140 11.524 -35.226 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.071 10.739 -33.631 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.489 11.715 -34.082 1.00 0.00 H new ATOM 855 N SER A 57 14.857 6.058 -32.975 1.00 0.00 N ATOM 856 CA SER A 57 15.283 5.200 -31.882 1.00 0.00 C ATOM 857 C SER A 57 14.612 3.837 -31.972 1.00 0.00 C ATOM 858 O SER A 57 13.505 3.716 -32.497 1.00 0.00 O ATOM 859 CB SER A 57 14.959 5.875 -30.547 1.00 0.00 C ATOM 860 OG SER A 57 15.307 5.044 -29.461 1.00 0.00 O ATOM 0 H SER A 57 13.927 5.841 -33.332 1.00 0.00 H new ATOM 0 HA SER A 57 16.360 5.045 -31.951 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.498 6.820 -30.473 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.896 6.110 -30.503 1.00 0.00 H new ATOM 0 HG SER A 57 14.821 5.332 -28.660 1.00 0.00 H new ATOM 866 N ALA A 58 15.293 2.810 -31.463 1.00 0.00 N ATOM 867 CA ALA A 58 14.805 1.443 -31.475 1.00 0.00 C ATOM 868 C ALA A 58 15.456 0.661 -30.338 1.00 0.00 C ATOM 869 O ALA A 58 16.645 0.839 -30.063 1.00 0.00 O ATOM 870 CB ALA A 58 15.145 0.817 -32.828 1.00 0.00 C ATOM 0 H ALA A 58 16.209 2.912 -31.027 1.00 0.00 H new ATOM 0 HA ALA A 58 13.725 1.421 -31.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 14.785 -0.211 -32.854 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.667 1.389 -33.624 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.225 0.827 -32.972 1.00 0.00 H new ATOM 876 N LYS A 59 14.684 -0.205 -29.676 1.00 0.00 N ATOM 877 CA LYS A 59 15.190 -1.002 -28.566 1.00 0.00 C ATOM 878 C LYS A 59 14.322 -2.233 -28.343 1.00 0.00 C ATOM 879 O LYS A 59 13.180 -2.289 -28.796 1.00 0.00 O ATOM 880 CB LYS A 59 15.238 -0.133 -27.298 1.00 0.00 C ATOM 881 CG LYS A 59 13.837 0.256 -26.806 1.00 0.00 C ATOM 882 CD LYS A 59 13.268 -0.752 -25.798 1.00 0.00 C ATOM 883 CE LYS A 59 13.994 -0.677 -24.456 1.00 0.00 C ATOM 884 NZ LYS A 59 13.868 0.663 -23.851 1.00 0.00 N ATOM 0 H LYS A 59 13.701 -0.369 -29.895 1.00 0.00 H new ATOM 0 HA LYS A 59 16.196 -1.347 -28.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.761 -0.674 -26.509 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.813 0.770 -27.501 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.878 1.243 -26.345 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.163 0.331 -27.660 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.206 -0.558 -25.649 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.354 -1.760 -26.203 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.585 -1.425 -23.777 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.048 -0.917 -24.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.570 0.569 -22.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.786 1.150 -23.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.159 1.215 -24.375 1.00 0.00 H new ATOM 898 N VAL A 60 14.874 -3.218 -27.631 1.00 0.00 N ATOM 899 CA VAL A 60 14.141 -4.399 -27.188 1.00 0.00 C ATOM 900 C VAL A 60 14.360 -4.504 -25.686 1.00 0.00 C ATOM 901 O VAL A 60 15.467 -4.277 -25.196 1.00 0.00 O ATOM 902 CB VAL A 60 14.655 -5.647 -27.912 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.151 -6.925 -27.241 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.159 -5.636 -29.357 1.00 0.00 C ATOM 0 H VAL A 60 15.853 -3.215 -27.344 1.00 0.00 H new ATOM 0 HA VAL A 60 13.078 -4.319 -27.416 1.00 0.00 H new ATOM 0 HB VAL A 60 15.744 -5.632 -27.874 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.533 -7.793 -27.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.499 -6.955 -26.208 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.061 -6.939 -27.257 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.524 -6.524 -29.874 1.00 0.00 H new ATOM 0 HG22 VAL A 60 13.069 -5.632 -29.368 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.530 -4.744 -29.862 1.00 0.00 H new ATOM 914 N PHE A 61 13.302 -4.850 -24.953 1.00 0.00 N ATOM 915 CA PHE A 61 13.350 -4.930 -23.504 1.00 0.00 C ATOM 916 C PHE A 61 14.076 -6.126 -22.899 1.00 0.00 C ATOM 917 O PHE A 61 13.995 -7.237 -23.423 1.00 0.00 O ATOM 918 CB PHE A 61 11.968 -4.707 -22.894 1.00 0.00 C ATOM 919 CG PHE A 61 11.557 -3.258 -22.823 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.889 -2.493 -21.695 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.829 -2.676 -23.870 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.484 -1.157 -21.609 1.00 0.00 C ATOM 923 CE2 PHE A 61 10.432 -1.336 -23.787 1.00 0.00 C ATOM 924 CZ PHE A 61 10.755 -0.575 -22.657 1.00 0.00 C ATOM 0 H PHE A 61 12.392 -5.081 -25.352 1.00 0.00 H new ATOM 0 HA PHE A 61 14.003 -4.105 -23.219 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.230 -5.255 -23.480 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.953 -5.128 -21.889 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.458 -2.936 -20.892 1.00 0.00 H new ATOM 0 HD2 PHE A 61 10.574 -3.262 -24.741 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.733 -0.573 -20.735 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.875 -0.888 -24.597 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.444 0.457 -22.592 1.00 0.00 H new ATOM 934 N ILE A 62 14.780 -5.885 -21.791 1.00 0.00 N ATOM 935 CA ILE A 62 15.528 -6.901 -21.064 1.00 0.00 C ATOM 936 C ILE A 62 15.188 -6.786 -19.581 1.00 0.00 C ATOM 937 O ILE A 62 15.026 -5.680 -19.067 1.00 0.00 O ATOM 938 CB ILE A 62 17.030 -6.707 -21.287 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.429 -6.649 -22.769 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.797 -7.820 -20.575 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.221 -7.971 -23.511 1.00 0.00 C ATOM 0 H ILE A 62 14.844 -4.958 -21.369 1.00 0.00 H new ATOM 0 HA ILE A 62 15.258 -7.894 -21.425 1.00 0.00 H new ATOM 0 HB ILE A 62 17.291 -5.735 -20.867 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.849 -5.870 -23.263 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.478 -6.361 -22.843 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.867 -7.683 -20.733 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.580 -7.786 -19.507 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.492 -8.786 -20.976 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.524 -7.856 -24.552 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.823 -8.750 -23.042 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.168 -8.251 -23.468 1.00 0.00 H new ATOM 953 N ASP A 63 15.076 -7.915 -18.880 1.00 0.00 N ATOM 954 CA ASP A 63 14.771 -7.910 -17.458 1.00 0.00 C ATOM 955 C ASP A 63 16.056 -7.629 -16.675 1.00 0.00 C ATOM 956 O ASP A 63 17.065 -8.301 -16.872 1.00 0.00 O ATOM 957 CB ASP A 63 14.180 -9.272 -17.080 1.00 0.00 C ATOM 958 CG ASP A 63 13.697 -9.321 -15.634 1.00 0.00 C ATOM 959 OD1 ASP A 63 13.929 -8.334 -14.900 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.095 -10.352 -15.269 1.00 0.00 O ATOM 0 H ASP A 63 15.193 -8.846 -19.281 1.00 0.00 H new ATOM 0 HA ASP A 63 14.045 -7.134 -17.218 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.347 -9.500 -17.745 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.932 -10.046 -17.234 1.00 0.00 H new ATOM 965 N LYS A 64 16.029 -6.635 -15.785 1.00 0.00 N ATOM 966 CA LYS A 64 17.197 -6.269 -14.991 1.00 0.00 C ATOM 967 C LYS A 64 17.485 -7.303 -13.895 1.00 0.00 C ATOM 968 O LYS A 64 18.528 -7.239 -13.247 1.00 0.00 O ATOM 969 CB LYS A 64 17.032 -4.858 -14.402 1.00 0.00 C ATOM 970 CG LYS A 64 15.962 -4.729 -13.308 1.00 0.00 C ATOM 971 CD LYS A 64 14.514 -4.765 -13.819 1.00 0.00 C ATOM 972 CE LYS A 64 14.219 -3.626 -14.801 1.00 0.00 C ATOM 973 NZ LYS A 64 14.349 -2.306 -14.153 1.00 0.00 N ATOM 0 H LYS A 64 15.203 -6.067 -15.597 1.00 0.00 H new ATOM 0 HA LYS A 64 18.061 -6.260 -15.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.990 -4.539 -13.991 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.787 -4.170 -15.211 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.099 -5.536 -12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.121 -3.793 -12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.326 -5.721 -14.307 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.830 -4.699 -12.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.904 -3.687 -15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.211 -3.739 -15.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.013 -1.566 -14.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.779 -2.289 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.347 -2.132 -13.916 1.00 0.00 H new ATOM 987 N GLN A 65 16.570 -8.253 -13.678 1.00 0.00 N ATOM 988 CA GLN A 65 16.719 -9.281 -12.655 1.00 0.00 C ATOM 989 C GLN A 65 17.320 -10.580 -13.192 1.00 0.00 C ATOM 990 O GLN A 65 17.896 -11.355 -12.429 1.00 0.00 O ATOM 991 CB GLN A 65 15.339 -9.594 -12.079 1.00 0.00 C ATOM 992 CG GLN A 65 14.715 -8.397 -11.358 1.00 0.00 C ATOM 993 CD GLN A 65 15.491 -8.018 -10.098 1.00 0.00 C ATOM 994 OE1 GLN A 65 15.183 -8.490 -9.011 1.00 0.00 O ATOM 995 NE2 GLN A 65 16.507 -7.171 -10.239 1.00 0.00 N ATOM 0 H GLN A 65 15.704 -8.327 -14.211 1.00 0.00 H new ATOM 0 HA GLN A 65 17.402 -8.891 -11.901 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.677 -9.913 -12.884 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.421 -10.429 -11.384 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.683 -7.543 -12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.684 -8.631 -11.092 1.00 0.00 H new ATOM 0 HE21 GLN A 65 16.735 -6.797 -11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.058 -6.895 -9.426 1.00 0.00 H new ATOM 1004 N THR A 66 17.187 -10.823 -14.498 1.00 0.00 N ATOM 1005 CA THR A 66 17.606 -12.077 -15.126 1.00 0.00 C ATOM 1006 C THR A 66 18.392 -11.905 -16.416 1.00 0.00 C ATOM 1007 O THR A 66 18.965 -12.863 -16.937 1.00 0.00 O ATOM 1008 CB THR A 66 16.421 -13.032 -15.310 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.821 -12.791 -16.561 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.349 -12.852 -14.241 1.00 0.00 C ATOM 0 H THR A 66 16.784 -10.152 -15.152 1.00 0.00 H new ATOM 0 HA THR A 66 18.310 -12.527 -14.426 1.00 0.00 H new ATOM 0 HB THR A 66 16.817 -14.045 -15.235 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.064 -13.401 -16.684 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.534 -13.554 -14.421 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.780 -13.041 -13.258 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.965 -11.833 -14.279 1.00 0.00 H new ATOM 1018 N ASN A 67 18.410 -10.669 -16.920 1.00 0.00 N ATOM 1019 CA ASN A 67 19.080 -10.286 -18.156 1.00 0.00 C ATOM 1020 C ASN A 67 18.499 -11.018 -19.372 1.00 0.00 C ATOM 1021 O ASN A 67 19.072 -10.969 -20.461 1.00 0.00 O ATOM 1022 CB ASN A 67 20.597 -10.468 -18.003 1.00 0.00 C ATOM 1023 CG ASN A 67 21.377 -9.790 -19.125 1.00 0.00 C ATOM 1024 OD1 ASN A 67 21.027 -8.704 -19.569 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.443 -10.438 -19.584 1.00 0.00 N ATOM 0 H ASN A 67 17.943 -9.886 -16.462 1.00 0.00 H new ATOM 0 HA ASN A 67 18.896 -9.229 -18.347 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.915 -10.059 -17.044 1.00 0.00 H new ATOM 0 HB3 ASN A 67 20.834 -11.532 -17.990 1.00 0.00 H new ATOM 0 HD21 ASN A 67 23.003 -10.032 -20.334 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.701 -11.341 -19.187 1.00 0.00 H new ATOM 1032 N LEU A 68 17.359 -11.695 -19.202 1.00 0.00 N ATOM 1033 CA LEU A 68 16.655 -12.348 -20.299 1.00 0.00 C ATOM 1034 C LEU A 68 15.727 -11.350 -20.988 1.00 0.00 C ATOM 1035 O LEU A 68 15.374 -10.324 -20.411 1.00 0.00 O ATOM 1036 CB LEU A 68 15.863 -13.548 -19.771 1.00 0.00 C ATOM 1037 CG LEU A 68 16.774 -14.609 -19.141 1.00 0.00 C ATOM 1038 CD1 LEU A 68 15.915 -15.744 -18.587 1.00 0.00 C ATOM 1039 CD2 LEU A 68 17.744 -15.191 -20.168 1.00 0.00 C ATOM 0 H LEU A 68 16.902 -11.803 -18.297 1.00 0.00 H new ATOM 0 HA LEU A 68 17.380 -12.707 -21.029 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.139 -13.207 -19.031 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.297 -13.996 -20.588 1.00 0.00 H new ATOM 0 HG LEU A 68 17.349 -14.132 -18.347 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.558 -16.501 -18.138 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.235 -15.350 -17.831 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.338 -16.192 -19.396 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.375 -15.940 -19.689 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.181 -15.655 -20.978 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.369 -14.394 -20.571 1.00 0.00 H new ATOM 1051 N SER A 69 15.330 -11.652 -22.227 1.00 0.00 N ATOM 1052 CA SER A 69 14.455 -10.775 -22.992 1.00 0.00 C ATOM 1053 C SER A 69 13.042 -10.750 -22.410 1.00 0.00 C ATOM 1054 O SER A 69 12.552 -11.764 -21.908 1.00 0.00 O ATOM 1055 CB SER A 69 14.436 -11.225 -24.452 1.00 0.00 C ATOM 1056 OG SER A 69 13.487 -10.462 -25.172 1.00 0.00 O ATOM 0 H SER A 69 15.605 -12.502 -22.719 1.00 0.00 H new ATOM 0 HA SER A 69 14.843 -9.758 -22.935 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.425 -11.104 -24.893 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.187 -12.285 -24.513 1.00 0.00 H new ATOM 0 HG SER A 69 13.478 -10.751 -26.108 1.00 0.00 H new ATOM 1062 N LYS A 70 12.390 -9.587 -22.487 1.00 0.00 N ATOM 1063 CA LYS A 70 11.008 -9.417 -22.052 1.00 0.00 C ATOM 1064 C LYS A 70 10.042 -9.498 -23.235 1.00 0.00 C ATOM 1065 O LYS A 70 8.884 -9.101 -23.116 1.00 0.00 O ATOM 1066 CB LYS A 70 10.846 -8.135 -21.234 1.00 0.00 C ATOM 1067 CG LYS A 70 11.721 -8.212 -19.979 1.00 0.00 C ATOM 1068 CD LYS A 70 11.321 -7.172 -18.926 1.00 0.00 C ATOM 1069 CE LYS A 70 11.553 -5.750 -19.433 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.225 -4.753 -18.395 1.00 0.00 N ATOM 0 H LYS A 70 12.811 -8.734 -22.855 1.00 0.00 H new ATOM 0 HA LYS A 70 10.749 -10.243 -21.389 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.129 -7.270 -21.834 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.801 -8.000 -20.954 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.646 -9.210 -19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.764 -8.062 -20.256 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.270 -7.301 -18.666 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.897 -7.334 -18.015 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.594 -5.634 -19.736 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.942 -5.572 -20.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.354 -4.251 -18.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.085 -5.234 -17.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.005 -4.071 -18.310 1.00 0.00 H new ATOM 1084 N CYS A 71 10.533 -10.010 -24.369 1.00 0.00 N ATOM 1085 CA CYS A 71 9.770 -10.274 -25.585 1.00 0.00 C ATOM 1086 C CYS A 71 8.940 -9.104 -26.126 1.00 0.00 C ATOM 1087 O CYS A 71 7.903 -9.329 -26.752 1.00 0.00 O ATOM 1088 CB CYS A 71 8.988 -11.592 -25.491 1.00 0.00 C ATOM 1089 SG CYS A 71 7.885 -11.653 -24.053 1.00 0.00 S ATOM 0 H CYS A 71 11.517 -10.261 -24.464 1.00 0.00 H new ATOM 0 HA CYS A 71 10.526 -10.397 -26.360 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.401 -11.727 -26.400 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.691 -12.423 -25.440 1.00 0.00 H new ATOM 0 HG CYS A 71 7.835 -10.480 -23.495 1.00 0.00 H new ATOM 1095 N PHE A 72 9.370 -7.857 -25.905 1.00 0.00 N ATOM 1096 CA PHE A 72 8.683 -6.712 -26.488 1.00 0.00 C ATOM 1097 C PHE A 72 9.730 -5.599 -26.578 1.00 0.00 C ATOM 1098 O PHE A 72 10.820 -5.712 -26.018 1.00 0.00 O ATOM 1099 CB PHE A 72 7.519 -6.322 -25.570 1.00 0.00 C ATOM 1100 CG PHE A 72 7.811 -5.345 -24.455 1.00 0.00 C ATOM 1101 CD1 PHE A 72 8.446 -5.772 -23.281 1.00 0.00 C ATOM 1102 CD2 PHE A 72 7.416 -4.007 -24.593 1.00 0.00 C ATOM 1103 CE1 PHE A 72 8.674 -4.866 -22.235 1.00 0.00 C ATOM 1104 CE2 PHE A 72 7.641 -3.100 -23.544 1.00 0.00 C ATOM 1105 CZ PHE A 72 8.267 -3.531 -22.365 1.00 0.00 C ATOM 0 H PHE A 72 10.181 -7.622 -25.333 1.00 0.00 H new ATOM 0 HA PHE A 72 8.267 -6.917 -27.474 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.728 -5.900 -26.190 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.122 -7.234 -25.124 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.760 -6.800 -23.182 1.00 0.00 H new ATOM 0 HD2 PHE A 72 6.940 -3.674 -25.504 1.00 0.00 H new ATOM 0 HE1 PHE A 72 9.163 -5.197 -21.330 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.332 -2.070 -23.645 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.435 -2.834 -21.557 1.00 0.00 H new ATOM 1115 N GLY A 73 9.403 -4.516 -27.289 1.00 0.00 N ATOM 1116 CA GLY A 73 10.344 -3.441 -27.569 1.00 0.00 C ATOM 1117 C GLY A 73 9.656 -2.117 -27.895 1.00 0.00 C ATOM 1118 O GLY A 73 8.435 -1.993 -27.807 1.00 0.00 O ATOM 0 H GLY A 73 8.475 -4.365 -27.685 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.996 -3.303 -26.707 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.979 -3.730 -28.406 1.00 0.00 H new ATOM 1122 N PHE A 74 10.474 -1.132 -28.274 1.00 0.00 N ATOM 1123 CA PHE A 74 10.064 0.236 -28.570 1.00 0.00 C ATOM 1124 C PHE A 74 10.765 0.860 -29.778 1.00 0.00 C ATOM 1125 O PHE A 74 11.959 0.643 -29.971 1.00 0.00 O ATOM 1126 CB PHE A 74 10.057 1.087 -27.294 1.00 0.00 C ATOM 1127 CG PHE A 74 10.280 2.570 -27.492 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.423 3.177 -26.951 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.353 3.338 -28.209 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.669 4.534 -27.189 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.588 4.699 -28.434 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.758 5.296 -27.936 1.00 0.00 C ATOM 0 H PHE A 74 11.478 -1.275 -28.386 1.00 0.00 H new ATOM 0 HA PHE A 74 9.031 0.201 -28.915 1.00 0.00 H new ATOM 0 HB2 PHE A 74 9.100 0.946 -26.791 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.828 0.709 -26.623 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.111 2.599 -26.352 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.453 2.878 -28.590 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.563 4.996 -26.796 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.873 5.288 -28.988 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.956 6.340 -28.128 1.00 0.00 H new ATOM 1142 N VAL A 75 10.030 1.628 -30.589 1.00 0.00 N ATOM 1143 CA VAL A 75 10.539 2.218 -31.827 1.00 0.00 C ATOM 1144 C VAL A 75 9.868 3.580 -32.040 1.00 0.00 C ATOM 1145 O VAL A 75 8.756 3.797 -31.560 1.00 0.00 O ATOM 1146 CB VAL A 75 10.251 1.262 -32.998 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.624 1.886 -34.342 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.014 -0.063 -32.864 1.00 0.00 C ATOM 0 H VAL A 75 9.055 1.859 -30.400 1.00 0.00 H new ATOM 0 HA VAL A 75 11.617 2.369 -31.768 1.00 0.00 H new ATOM 0 HB VAL A 75 9.179 1.070 -32.962 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.406 1.180 -35.144 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.045 2.797 -34.493 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.687 2.126 -34.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.779 -0.705 -33.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.086 0.135 -32.844 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.719 -0.561 -31.940 1.00 0.00 H new ATOM 1158 N SER A 76 10.523 4.502 -32.756 1.00 0.00 N ATOM 1159 CA SER A 76 9.982 5.840 -32.992 1.00 0.00 C ATOM 1160 C SER A 76 10.417 6.390 -34.353 1.00 0.00 C ATOM 1161 O SER A 76 11.465 6.015 -34.872 1.00 0.00 O ATOM 1162 CB SER A 76 10.433 6.780 -31.874 1.00 0.00 C ATOM 1163 OG SER A 76 11.838 6.927 -31.897 1.00 0.00 O ATOM 0 H SER A 76 11.435 4.341 -33.184 1.00 0.00 H new ATOM 0 HA SER A 76 8.894 5.772 -32.996 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.956 7.753 -31.993 1.00 0.00 H new ATOM 0 HB3 SER A 76 10.117 6.386 -30.908 1.00 0.00 H new ATOM 0 HG SER A 76 12.134 7.369 -31.074 1.00 0.00 H new ATOM 1169 N TYR A 77 9.602 7.283 -34.924 1.00 0.00 N ATOM 1170 CA TYR A 77 9.840 7.895 -36.229 1.00 0.00 C ATOM 1171 C TYR A 77 9.905 9.421 -36.234 1.00 0.00 C ATOM 1172 O TYR A 77 9.495 10.061 -35.272 1.00 0.00 O ATOM 1173 CB TYR A 77 8.792 7.411 -37.231 1.00 0.00 C ATOM 1174 CG TYR A 77 8.937 5.957 -37.600 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.303 4.987 -36.810 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.700 5.584 -38.717 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.435 3.633 -37.136 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.831 4.230 -39.047 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.197 3.253 -38.255 1.00 0.00 C ATOM 1180 OH TYR A 77 9.318 1.937 -38.566 1.00 0.00 O ATOM 0 H TYR A 77 8.742 7.605 -34.480 1.00 0.00 H new ATOM 0 HA TYR A 77 10.839 7.568 -36.520 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.799 7.574 -36.813 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.860 8.015 -38.136 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.716 5.284 -35.954 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.184 6.338 -39.320 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.953 2.881 -36.529 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.416 3.936 -39.906 1.00 0.00 H new ATOM 0 HH TYR A 77 10.167 1.788 -39.031 1.00 0.00 H new ATOM 1190 N ASP A 78 10.424 10.016 -37.315 1.00 0.00 N ATOM 1191 CA ASP A 78 10.440 11.469 -37.450 1.00 0.00 C ATOM 1192 C ASP A 78 9.093 12.026 -37.909 1.00 0.00 C ATOM 1193 O ASP A 78 8.888 13.240 -37.894 1.00 0.00 O ATOM 1194 CB ASP A 78 11.563 11.945 -38.370 1.00 0.00 C ATOM 1195 CG ASP A 78 11.536 11.317 -39.761 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.400 11.717 -40.574 1.00 0.00 O ATOM 1197 OD2 ASP A 78 10.668 10.454 -40.015 1.00 0.00 O ATOM 0 H ASP A 78 10.835 9.513 -38.102 1.00 0.00 H new ATOM 0 HA ASP A 78 10.634 11.863 -36.452 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.501 13.029 -38.471 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.522 11.723 -37.901 1.00 0.00 H new ATOM 1202 N ASN A 79 8.175 11.143 -38.308 1.00 0.00 N ATOM 1203 CA ASN A 79 6.831 11.526 -38.706 1.00 0.00 C ATOM 1204 C ASN A 79 5.839 10.384 -38.481 1.00 0.00 C ATOM 1205 O ASN A 79 6.219 9.215 -38.543 1.00 0.00 O ATOM 1206 CB ASN A 79 6.804 12.012 -40.162 1.00 0.00 C ATOM 1207 CG ASN A 79 7.529 11.115 -41.165 1.00 0.00 C ATOM 1208 OD1 ASN A 79 7.944 11.586 -42.220 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.692 9.830 -40.863 1.00 0.00 N ATOM 0 H ASN A 79 8.350 10.140 -38.362 1.00 0.00 H new ATOM 0 HA ASN A 79 6.521 12.358 -38.074 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.765 12.112 -40.475 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.247 13.007 -40.204 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.172 9.210 -41.515 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.337 9.465 -39.979 1.00 0.00 H new ATOM 1216 N PRO A 80 4.568 10.710 -38.223 1.00 0.00 N ATOM 1217 CA PRO A 80 3.530 9.730 -37.973 1.00 0.00 C ATOM 1218 C PRO A 80 3.186 8.941 -39.233 1.00 0.00 C ATOM 1219 O PRO A 80 2.618 7.859 -39.136 1.00 0.00 O ATOM 1220 CB PRO A 80 2.333 10.546 -37.482 1.00 0.00 C ATOM 1221 CG PRO A 80 2.524 11.905 -38.150 1.00 0.00 C ATOM 1222 CD PRO A 80 4.043 12.059 -38.144 1.00 0.00 C ATOM 0 HA PRO A 80 3.844 8.984 -37.243 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.388 10.086 -37.773 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.325 10.631 -36.395 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.117 11.922 -39.161 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.032 12.704 -37.595 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.380 12.662 -38.988 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.383 12.560 -37.238 1.00 0.00 H new ATOM 1230 N VAL A 81 3.523 9.455 -40.421 1.00 0.00 N ATOM 1231 CA VAL A 81 3.218 8.761 -41.668 1.00 0.00 C ATOM 1232 C VAL A 81 3.947 7.422 -41.742 1.00 0.00 C ATOM 1233 O VAL A 81 3.352 6.401 -42.083 1.00 0.00 O ATOM 1234 CB VAL A 81 3.587 9.645 -42.863 1.00 0.00 C ATOM 1235 CG1 VAL A 81 3.128 8.999 -44.171 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.959 11.033 -42.728 1.00 0.00 C ATOM 0 H VAL A 81 4.005 10.346 -40.541 1.00 0.00 H new ATOM 0 HA VAL A 81 2.147 8.558 -41.698 1.00 0.00 H new ATOM 0 HB VAL A 81 4.672 9.750 -42.878 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.399 9.642 -45.009 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.611 8.029 -44.287 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.046 8.866 -44.151 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.235 11.643 -43.588 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.874 10.939 -42.683 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.320 11.508 -41.816 1.00 0.00 H new ATOM 1246 N SER A 82 5.241 7.430 -41.416 1.00 0.00 N ATOM 1247 CA SER A 82 6.041 6.214 -41.394 1.00 0.00 C ATOM 1248 C SER A 82 5.647 5.318 -40.225 1.00 0.00 C ATOM 1249 O SER A 82 5.830 4.105 -40.285 1.00 0.00 O ATOM 1250 CB SER A 82 7.518 6.581 -41.268 1.00 0.00 C ATOM 1251 OG SER A 82 7.932 7.349 -42.381 1.00 0.00 O ATOM 0 H SER A 82 5.756 8.273 -41.163 1.00 0.00 H new ATOM 0 HA SER A 82 5.864 5.671 -42.322 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.682 7.143 -40.349 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.120 5.675 -41.199 1.00 0.00 H new ATOM 0 HG SER A 82 8.260 6.753 -43.086 1.00 0.00 H new ATOM 1257 N ALA A 83 5.106 5.913 -39.161 1.00 0.00 N ATOM 1258 CA ALA A 83 4.716 5.169 -37.975 1.00 0.00 C ATOM 1259 C ALA A 83 3.475 4.330 -38.254 1.00 0.00 C ATOM 1260 O ALA A 83 3.458 3.141 -37.944 1.00 0.00 O ATOM 1261 CB ALA A 83 4.461 6.153 -36.835 1.00 0.00 C ATOM 0 H ALA A 83 4.929 6.916 -39.102 1.00 0.00 H new ATOM 0 HA ALA A 83 5.518 4.488 -37.691 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.168 5.605 -35.940 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.370 6.719 -36.632 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.663 6.839 -37.118 1.00 0.00 H new ATOM 1267 N GLN A 84 2.434 4.928 -38.840 1.00 0.00 N ATOM 1268 CA GLN A 84 1.193 4.206 -39.088 1.00 0.00 C ATOM 1269 C GLN A 84 1.399 3.129 -40.151 1.00 0.00 C ATOM 1270 O GLN A 84 0.692 2.123 -40.150 1.00 0.00 O ATOM 1271 CB GLN A 84 0.087 5.182 -39.500 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.177 6.237 -38.423 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.361 5.630 -37.037 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.074 4.645 -36.863 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.285 6.215 -36.031 1.00 0.00 N ATOM 0 H GLN A 84 2.429 5.901 -39.147 1.00 0.00 H new ATOM 0 HA GLN A 84 0.886 3.710 -38.167 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.367 5.676 -40.430 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.831 4.628 -39.697 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.654 6.942 -38.399 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.069 6.805 -38.688 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.870 7.032 -36.207 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.195 5.846 -35.084 1.00 0.00 H new ATOM 1284 N ALA A 85 2.366 3.327 -41.055 1.00 0.00 N ATOM 1285 CA ALA A 85 2.692 2.308 -42.039 1.00 0.00 C ATOM 1286 C ALA A 85 3.349 1.115 -41.356 1.00 0.00 C ATOM 1287 O ALA A 85 3.050 -0.031 -41.676 1.00 0.00 O ATOM 1288 CB ALA A 85 3.653 2.890 -43.072 1.00 0.00 C ATOM 0 H ALA A 85 2.927 4.177 -41.119 1.00 0.00 H new ATOM 0 HA ALA A 85 1.776 1.980 -42.530 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.899 2.127 -43.811 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.183 3.738 -43.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.565 3.221 -42.575 1.00 0.00 H new ATOM 1294 N ALA A 86 4.252 1.386 -40.409 1.00 0.00 N ATOM 1295 CA ALA A 86 4.976 0.341 -39.707 1.00 0.00 C ATOM 1296 C ALA A 86 4.060 -0.495 -38.812 1.00 0.00 C ATOM 1297 O ALA A 86 4.326 -1.678 -38.605 1.00 0.00 O ATOM 1298 CB ALA A 86 6.082 0.989 -38.880 1.00 0.00 C ATOM 0 H ALA A 86 4.495 2.332 -40.114 1.00 0.00 H new ATOM 0 HA ALA A 86 5.401 -0.342 -40.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.636 0.217 -38.346 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.759 1.531 -39.540 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.642 1.682 -38.163 1.00 0.00 H new ATOM 1304 N ILE A 87 2.983 0.099 -38.279 1.00 0.00 N ATOM 1305 CA ILE A 87 2.036 -0.671 -37.480 1.00 0.00 C ATOM 1306 C ILE A 87 1.345 -1.692 -38.368 1.00 0.00 C ATOM 1307 O ILE A 87 1.294 -2.870 -38.033 1.00 0.00 O ATOM 1308 CB ILE A 87 1.006 0.241 -36.800 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.719 1.176 -35.815 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.041 -0.605 -36.071 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.748 2.004 -34.976 1.00 0.00 C ATOM 0 H ILE A 87 2.754 1.087 -38.386 1.00 0.00 H new ATOM 0 HA ILE A 87 2.582 -1.187 -36.690 1.00 0.00 H new ATOM 0 HB ILE A 87 0.500 0.842 -37.556 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.351 0.585 -35.153 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.376 1.846 -36.369 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.768 0.050 -35.591 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.550 -1.250 -36.787 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.449 -1.218 -35.315 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.310 2.646 -34.298 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.133 2.619 -35.633 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.107 1.338 -34.398 1.00 0.00 H new ATOM 1323 N GLN A 88 0.814 -1.238 -39.505 1.00 0.00 N ATOM 1324 CA GLN A 88 0.118 -2.120 -40.428 1.00 0.00 C ATOM 1325 C GLN A 88 1.089 -3.088 -41.109 1.00 0.00 C ATOM 1326 O GLN A 88 0.648 -4.032 -41.762 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.620 -1.273 -41.466 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.672 -0.382 -40.799 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.385 0.515 -41.806 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -2.112 0.472 -43.006 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.308 1.345 -41.332 1.00 0.00 N ATOM 0 H GLN A 88 0.856 -0.264 -39.804 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.600 -2.722 -39.871 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.094 -0.654 -42.010 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.100 -1.924 -42.197 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.405 -1.007 -40.288 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.194 0.236 -40.039 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.515 1.361 -40.333 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.809 1.966 -41.967 1.00 0.00 H new ATOM 1340 N ALA A 89 2.399 -2.863 -40.967 1.00 0.00 N ATOM 1341 CA ALA A 89 3.406 -3.709 -41.586 1.00 0.00 C ATOM 1342 C ALA A 89 3.814 -4.890 -40.703 1.00 0.00 C ATOM 1343 O ALA A 89 4.224 -5.921 -41.232 1.00 0.00 O ATOM 1344 CB ALA A 89 4.631 -2.847 -41.897 1.00 0.00 C ATOM 0 H ALA A 89 2.783 -2.091 -40.421 1.00 0.00 H new ATOM 0 HA ALA A 89 2.980 -4.134 -42.495 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.400 -3.463 -42.363 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.348 -2.044 -42.577 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.019 -2.419 -40.973 1.00 0.00 H new ATOM 1350 N MET A 90 3.707 -4.762 -39.374 1.00 0.00 N ATOM 1351 CA MET A 90 4.104 -5.838 -38.470 1.00 0.00 C ATOM 1352 C MET A 90 2.966 -6.328 -37.579 1.00 0.00 C ATOM 1353 O MET A 90 3.016 -7.444 -37.066 1.00 0.00 O ATOM 1354 CB MET A 90 5.332 -5.407 -37.665 1.00 0.00 C ATOM 1355 CG MET A 90 5.621 -6.393 -36.529 1.00 0.00 C ATOM 1356 SD MET A 90 7.364 -6.605 -36.109 1.00 0.00 S ATOM 1357 CE MET A 90 7.744 -7.861 -37.353 1.00 0.00 C ATOM 0 H MET A 90 3.351 -3.928 -38.908 1.00 0.00 H new ATOM 0 HA MET A 90 4.371 -6.702 -39.078 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.198 -5.342 -38.324 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.170 -4.411 -37.253 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.088 -6.060 -35.638 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.210 -7.365 -36.802 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.793 -8.146 -37.274 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.117 -8.737 -37.189 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.552 -7.458 -38.347 1.00 0.00 H new ATOM 1367 N ASN A 91 1.927 -5.519 -37.382 1.00 0.00 N ATOM 1368 CA ASN A 91 0.782 -5.959 -36.599 1.00 0.00 C ATOM 1369 C ASN A 91 0.190 -7.208 -37.252 1.00 0.00 C ATOM 1370 O ASN A 91 -0.176 -7.190 -38.428 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.250 -4.832 -36.510 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.426 -5.187 -35.614 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -1.361 -6.124 -34.823 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.517 -4.434 -35.732 1.00 0.00 N ATOM 0 H ASN A 91 1.857 -4.570 -37.749 1.00 0.00 H new ATOM 0 HA ASN A 91 1.090 -6.207 -35.583 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.233 -3.931 -36.130 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.617 -4.600 -37.510 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.335 -4.627 -35.154 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.535 -3.663 -36.400 1.00 0.00 H new ATOM 1381 N GLY A 92 0.097 -8.300 -36.488 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.414 -9.571 -36.979 1.00 0.00 C ATOM 1383 C GLY A 92 0.607 -10.360 -37.803 1.00 0.00 C ATOM 1384 O GLY A 92 0.258 -11.397 -38.362 1.00 0.00 O ATOM 0 H GLY A 92 0.377 -8.321 -35.507 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.732 -10.178 -36.131 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.298 -9.387 -37.589 1.00 0.00 H new ATOM 1388 N PHE A 93 1.861 -9.897 -37.890 1.00 0.00 N ATOM 1389 CA PHE A 93 2.894 -10.623 -38.613 1.00 0.00 C ATOM 1390 C PHE A 93 3.188 -11.921 -37.864 1.00 0.00 C ATOM 1391 O PHE A 93 3.180 -11.929 -36.636 1.00 0.00 O ATOM 1392 CB PHE A 93 4.150 -9.760 -38.754 1.00 0.00 C ATOM 1393 CG PHE A 93 5.273 -10.428 -39.515 1.00 0.00 C ATOM 1394 CD1 PHE A 93 5.280 -10.388 -40.919 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.305 -11.083 -38.832 1.00 0.00 C ATOM 1396 CE1 PHE A 93 6.316 -11.003 -41.632 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.339 -11.706 -39.547 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.347 -11.661 -40.947 1.00 0.00 C ATOM 0 H PHE A 93 2.177 -9.024 -37.467 1.00 0.00 H new ATOM 0 HA PHE A 93 2.553 -10.863 -39.620 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.885 -8.831 -39.259 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.508 -9.492 -37.760 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.486 -9.883 -41.449 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.305 -11.109 -37.752 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.321 -10.970 -42.711 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.128 -12.220 -39.018 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.147 -12.133 -41.498 1.00 0.00 H new ATOM 1408 N GLN A 94 3.450 -13.012 -38.584 1.00 0.00 N ATOM 1409 CA GLN A 94 3.666 -14.303 -37.951 1.00 0.00 C ATOM 1410 C GLN A 94 5.159 -14.568 -37.760 1.00 0.00 C ATOM 1411 O GLN A 94 5.941 -14.448 -38.703 1.00 0.00 O ATOM 1412 CB GLN A 94 2.986 -15.392 -38.786 1.00 0.00 C ATOM 1413 CG GLN A 94 2.797 -16.695 -37.998 1.00 0.00 C ATOM 1414 CD GLN A 94 4.087 -17.484 -37.788 1.00 0.00 C ATOM 1415 OE1 GLN A 94 5.035 -17.389 -38.563 1.00 0.00 O ATOM 1416 NE2 GLN A 94 4.128 -18.281 -36.724 1.00 0.00 N ATOM 0 H GLN A 94 3.517 -13.023 -39.602 1.00 0.00 H new ATOM 0 HA GLN A 94 3.219 -14.307 -36.957 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.015 -15.032 -39.128 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.583 -15.591 -39.676 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.364 -16.460 -37.026 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.079 -17.325 -38.523 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.324 -18.338 -36.099 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.963 -18.835 -36.533 1.00 0.00 H new ATOM 1425 N ILE A 95 5.551 -14.924 -36.533 1.00 0.00 N ATOM 1426 CA ILE A 95 6.923 -15.284 -36.208 1.00 0.00 C ATOM 1427 C ILE A 95 6.909 -16.378 -35.142 1.00 0.00 C ATOM 1428 O ILE A 95 6.133 -16.305 -34.192 1.00 0.00 O ATOM 1429 CB ILE A 95 7.677 -14.031 -35.744 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.185 -14.249 -35.859 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.319 -13.645 -34.305 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.931 -12.922 -35.717 1.00 0.00 C ATOM 0 H ILE A 95 4.916 -14.969 -35.736 1.00 0.00 H new ATOM 0 HA ILE A 95 7.442 -15.676 -37.083 1.00 0.00 H new ATOM 0 HB ILE A 95 7.374 -13.211 -36.395 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.518 -14.944 -35.088 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.420 -14.704 -36.821 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.876 -12.753 -34.018 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.250 -13.443 -34.238 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.576 -14.464 -33.634 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.004 -13.097 -35.801 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.611 -12.239 -36.504 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.710 -12.483 -34.744 1.00 0.00 H new ATOM 1444 N GLY A 96 7.754 -17.403 -35.286 1.00 0.00 N ATOM 1445 CA GLY A 96 7.810 -18.464 -34.292 1.00 0.00 C ATOM 1446 C GLY A 96 6.449 -19.141 -34.157 1.00 0.00 C ATOM 1447 O GLY A 96 5.986 -19.798 -35.089 1.00 0.00 O ATOM 0 H GLY A 96 8.397 -17.515 -36.070 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.562 -19.199 -34.578 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.116 -18.053 -33.330 1.00 0.00 H new ATOM 1451 N MET A 97 5.816 -18.977 -32.991 1.00 0.00 N ATOM 1452 CA MET A 97 4.522 -19.575 -32.685 1.00 0.00 C ATOM 1453 C MET A 97 3.502 -18.538 -32.204 1.00 0.00 C ATOM 1454 O MET A 97 2.463 -18.915 -31.656 1.00 0.00 O ATOM 1455 CB MET A 97 4.701 -20.696 -31.657 1.00 0.00 C ATOM 1456 CG MET A 97 5.648 -21.776 -32.189 1.00 0.00 C ATOM 1457 SD MET A 97 5.874 -23.190 -31.075 1.00 0.00 S ATOM 1458 CE MET A 97 6.717 -22.359 -29.702 1.00 0.00 C ATOM 0 H MET A 97 6.196 -18.418 -32.227 1.00 0.00 H new ATOM 0 HA MET A 97 4.120 -19.997 -33.606 1.00 0.00 H new ATOM 0 HB2 MET A 97 5.097 -20.284 -30.729 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.733 -21.138 -31.422 1.00 0.00 H new ATOM 0 HG2 MET A 97 5.266 -22.138 -33.144 1.00 0.00 H new ATOM 0 HG3 MET A 97 6.621 -21.325 -32.385 1.00 0.00 H new ATOM 0 HE1 MET A 97 7.139 -23.105 -29.029 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.517 -21.730 -30.093 1.00 0.00 H new ATOM 0 HE3 MET A 97 6.003 -21.741 -29.157 1.00 0.00 H new ATOM 1468 N LYS A 98 3.777 -17.241 -32.394 1.00 0.00 N ATOM 1469 CA LYS A 98 2.857 -16.182 -31.981 1.00 0.00 C ATOM 1470 C LYS A 98 3.009 -14.954 -32.874 1.00 0.00 C ATOM 1471 O LYS A 98 4.111 -14.633 -33.308 1.00 0.00 O ATOM 1472 CB LYS A 98 3.115 -15.831 -30.515 1.00 0.00 C ATOM 1473 CG LYS A 98 1.999 -14.960 -29.932 1.00 0.00 C ATOM 1474 CD LYS A 98 2.248 -14.738 -28.438 1.00 0.00 C ATOM 1475 CE LYS A 98 1.099 -13.966 -27.785 1.00 0.00 C ATOM 1476 NZ LYS A 98 -0.157 -14.744 -27.817 1.00 0.00 N ATOM 0 H LYS A 98 4.633 -16.903 -32.833 1.00 0.00 H new ATOM 0 HA LYS A 98 1.831 -16.536 -32.085 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.202 -16.748 -29.932 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.067 -15.307 -30.429 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.963 -14.002 -30.451 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.032 -15.441 -30.082 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.369 -15.701 -27.942 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.180 -14.190 -28.301 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.357 -13.730 -26.753 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.955 -13.017 -28.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.849 -14.313 -27.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.540 -14.745 -28.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.033 -15.722 -27.518 1.00 0.00 H new ATOM 1490 N ARG A 99 1.905 -14.258 -33.152 1.00 0.00 N ATOM 1491 CA ARG A 99 1.926 -13.087 -34.022 1.00 0.00 C ATOM 1492 C ARG A 99 2.351 -11.840 -33.264 1.00 0.00 C ATOM 1493 O ARG A 99 1.992 -11.676 -32.098 1.00 0.00 O ATOM 1494 CB ARG A 99 0.556 -12.890 -34.677 1.00 0.00 C ATOM 1495 CG ARG A 99 0.216 -14.079 -35.585 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.151 -13.882 -36.243 1.00 0.00 C ATOM 1497 NE ARG A 99 -2.232 -13.832 -35.249 1.00 0.00 N ATOM 1498 CZ ARG A 99 -2.916 -14.901 -34.825 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -2.644 -16.117 -35.290 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -3.887 -14.751 -33.925 1.00 0.00 N ATOM 0 H ARG A 99 0.982 -14.489 -32.784 1.00 0.00 H new ATOM 0 HA ARG A 99 2.665 -13.259 -34.805 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.209 -12.782 -33.908 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.554 -11.969 -35.259 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.982 -14.188 -36.352 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.215 -15.000 -35.002 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.146 -12.958 -36.822 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.338 -14.696 -36.943 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.477 -12.923 -34.857 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.904 -16.245 -35.980 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.175 -16.921 -34.956 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.107 -13.824 -33.562 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -4.411 -15.564 -33.599 1.00 0.00 H new ATOM 1514 N LEU A 100 3.111 -10.953 -33.914 1.00 0.00 N ATOM 1515 CA LEU A 100 3.556 -9.711 -33.300 1.00 0.00 C ATOM 1516 C LEU A 100 2.374 -8.778 -33.066 1.00 0.00 C ATOM 1517 O LEU A 100 1.579 -8.540 -33.975 1.00 0.00 O ATOM 1518 CB LEU A 100 4.577 -8.986 -34.182 1.00 0.00 C ATOM 1519 CG LEU A 100 5.917 -9.702 -34.374 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.529 -10.135 -33.045 1.00 0.00 C ATOM 1521 CD2 LEU A 100 5.783 -10.916 -35.279 1.00 0.00 C ATOM 0 H LEU A 100 3.430 -11.080 -34.874 1.00 0.00 H new ATOM 0 HA LEU A 100 4.023 -9.972 -32.350 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.130 -8.821 -35.163 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.770 -8.004 -33.751 1.00 0.00 H new ATOM 0 HG LEU A 100 6.580 -8.977 -34.847 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.478 -10.639 -33.228 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.698 -9.258 -32.420 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.848 -10.818 -32.536 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.755 -11.396 -35.390 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.078 -11.622 -34.839 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.420 -10.602 -36.257 1.00 0.00 H new ATOM 1533 N LYS A 101 2.259 -8.244 -31.846 1.00 0.00 N ATOM 1534 CA LYS A 101 1.317 -7.169 -31.562 1.00 0.00 C ATOM 1535 C LYS A 101 2.048 -5.847 -31.755 1.00 0.00 C ATOM 1536 O LYS A 101 3.199 -5.720 -31.341 1.00 0.00 O ATOM 1537 CB LYS A 101 0.770 -7.316 -30.136 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.187 -6.170 -29.786 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.464 -6.125 -28.283 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.055 -7.431 -27.759 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.415 -7.670 -28.289 1.00 0.00 N ATOM 0 H LYS A 101 2.810 -8.543 -31.041 1.00 0.00 H new ATOM 0 HA LYS A 101 0.462 -7.207 -32.237 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.250 -8.269 -30.040 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.597 -7.331 -29.427 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.243 -5.222 -30.108 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.124 -6.296 -30.328 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.463 -5.911 -27.752 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.151 -5.307 -28.068 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.406 -8.261 -28.037 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.089 -7.403 -26.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.796 -8.549 -27.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.033 -6.874 -28.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.374 -7.755 -29.325 1.00 0.00 H new ATOM 1555 N VAL A 102 1.389 -4.870 -32.376 1.00 0.00 N ATOM 1556 CA VAL A 102 1.952 -3.534 -32.552 1.00 0.00 C ATOM 1557 C VAL A 102 0.939 -2.471 -32.139 1.00 0.00 C ATOM 1558 O VAL A 102 -0.250 -2.623 -32.410 1.00 0.00 O ATOM 1559 CB VAL A 102 2.471 -3.334 -33.982 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.257 -2.034 -34.126 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.391 -4.482 -34.400 1.00 0.00 C ATOM 0 H VAL A 102 0.455 -4.982 -32.769 1.00 0.00 H new ATOM 0 HA VAL A 102 2.816 -3.428 -31.896 1.00 0.00 H new ATOM 0 HB VAL A 102 1.589 -3.301 -34.621 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.606 -1.932 -35.154 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.614 -1.190 -33.876 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.113 -2.050 -33.452 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.744 -4.314 -35.418 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.244 -4.529 -33.723 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.842 -5.422 -34.357 1.00 0.00 H new ATOM 1571 N GLN A 103 1.402 -1.400 -31.489 1.00 0.00 N ATOM 1572 CA GLN A 103 0.509 -0.385 -30.942 1.00 0.00 C ATOM 1573 C GLN A 103 1.172 0.994 -30.965 1.00 0.00 C ATOM 1574 O GLN A 103 2.391 1.101 -31.077 1.00 0.00 O ATOM 1575 CB GLN A 103 0.130 -0.815 -29.522 1.00 0.00 C ATOM 1576 CG GLN A 103 -0.932 0.085 -28.885 1.00 0.00 C ATOM 1577 CD GLN A 103 -1.376 -0.443 -27.524 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -2.532 -0.291 -27.141 1.00 0.00 O ATOM 1579 NE2 GLN A 103 -0.458 -1.062 -26.789 1.00 0.00 N ATOM 0 H GLN A 103 2.393 -1.217 -31.330 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.392 -0.300 -31.549 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.238 -1.841 -29.546 1.00 0.00 H new ATOM 0 HB3 GLN A 103 1.023 -0.811 -28.897 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.534 1.094 -28.772 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.795 0.155 -29.547 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.493 -1.168 -27.143 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.704 -1.431 -25.870 1.00 0.00 H new ATOM 1588 N LEU A 104 0.373 2.061 -30.854 1.00 0.00 N ATOM 1589 CA LEU A 104 0.874 3.427 -30.768 1.00 0.00 C ATOM 1590 C LEU A 104 1.098 3.792 -29.296 1.00 0.00 C ATOM 1591 O LEU A 104 0.283 3.429 -28.447 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.158 4.350 -31.428 1.00 0.00 C ATOM 1593 CG LEU A 104 0.452 5.546 -32.167 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.653 6.229 -32.972 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.041 6.585 -31.216 1.00 0.00 C ATOM 0 H LEU A 104 -0.644 1.995 -30.822 1.00 0.00 H new ATOM 0 HA LEU A 104 1.828 3.534 -31.284 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.753 3.767 -32.131 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.841 4.720 -30.663 1.00 0.00 H new ATOM 0 HG LEU A 104 1.255 5.167 -32.799 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.239 7.084 -33.506 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.071 5.522 -33.688 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.438 6.569 -32.297 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.459 7.410 -31.792 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.258 6.962 -30.559 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.827 6.126 -30.617 1.00 0.00 H new ATOM 1607 N LYS A 105 2.183 4.507 -28.974 1.00 0.00 N ATOM 1608 CA LYS A 105 2.424 4.978 -27.612 1.00 0.00 C ATOM 1609 C LYS A 105 1.324 5.960 -27.206 1.00 0.00 C ATOM 1610 O LYS A 105 0.684 6.568 -28.062 1.00 0.00 O ATOM 1611 CB LYS A 105 3.814 5.625 -27.520 1.00 0.00 C ATOM 1612 CG LYS A 105 4.081 6.119 -26.095 1.00 0.00 C ATOM 1613 CD LYS A 105 5.567 6.361 -25.835 1.00 0.00 C ATOM 1614 CE LYS A 105 5.755 6.705 -24.353 1.00 0.00 C ATOM 1615 NZ LYS A 105 7.178 6.765 -23.985 1.00 0.00 N ATOM 0 H LYS A 105 2.907 4.770 -29.642 1.00 0.00 H new ATOM 0 HA LYS A 105 2.400 4.135 -26.922 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.578 4.903 -27.810 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.881 6.459 -28.219 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.529 7.043 -25.924 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.704 5.386 -25.382 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.146 5.474 -26.094 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.933 7.174 -26.461 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.283 7.664 -24.139 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.251 5.958 -23.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.295 7.369 -23.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.522 5.807 -23.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.725 7.161 -24.776 1.00 0.00 H new ATOM 1629 N ARG A 106 1.094 6.121 -25.898 1.00 0.00 N ATOM 1630 CA ARG A 106 0.092 7.060 -25.406 1.00 0.00 C ATOM 1631 C ARG A 106 0.415 8.468 -25.899 1.00 0.00 C ATOM 1632 O ARG A 106 1.585 8.825 -26.036 1.00 0.00 O ATOM 1633 CB ARG A 106 0.029 7.013 -23.876 1.00 0.00 C ATOM 1634 CG ARG A 106 -0.395 5.624 -23.398 1.00 0.00 C ATOM 1635 CD ARG A 106 -0.458 5.585 -21.871 1.00 0.00 C ATOM 1636 NE ARG A 106 -0.888 4.263 -21.392 1.00 0.00 N ATOM 1637 CZ ARG A 106 -0.117 3.408 -20.717 1.00 0.00 C ATOM 1638 NH1 ARG A 106 1.146 3.714 -20.435 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -0.606 2.238 -20.322 1.00 0.00 N ATOM 0 H ARG A 106 1.590 5.612 -25.166 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.887 6.777 -25.792 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.004 7.266 -23.458 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.677 7.760 -23.512 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.369 5.370 -23.816 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.311 4.876 -23.759 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.522 5.824 -21.457 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.150 6.348 -21.513 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.847 3.978 -21.590 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.533 4.609 -20.735 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.728 3.054 -19.919 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.573 1.991 -20.534 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.015 1.586 -19.806 1.00 0.00 H new ATOM 1653 N SER A 107 -0.621 9.264 -26.168 1.00 0.00 N ATOM 1654 CA SER A 107 -0.448 10.594 -26.728 1.00 0.00 C ATOM 1655 C SER A 107 0.264 11.519 -25.751 1.00 0.00 C ATOM 1656 O SER A 107 0.169 11.356 -24.533 1.00 0.00 O ATOM 1657 CB SER A 107 -1.810 11.171 -27.115 1.00 0.00 C ATOM 1658 OG SER A 107 -2.596 11.363 -25.959 1.00 0.00 O ATOM 0 H SER A 107 -1.593 9.003 -26.004 1.00 0.00 H new ATOM 0 HA SER A 107 0.176 10.514 -27.618 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.678 12.119 -27.637 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.319 10.496 -27.803 1.00 0.00 H new ATOM 0 HG SER A 107 -3.467 11.734 -26.213 1.00 0.00 H new ATOM 1664 N LYS A 108 0.983 12.507 -26.291 1.00 0.00 N ATOM 1665 CA LYS A 108 1.691 13.490 -25.486 1.00 0.00 C ATOM 1666 C LYS A 108 0.718 14.430 -24.773 1.00 0.00 C ATOM 1667 O LYS A 108 1.134 15.232 -23.936 1.00 0.00 O ATOM 1668 CB LYS A 108 2.675 14.255 -26.371 1.00 0.00 C ATOM 1669 CG LYS A 108 3.710 13.264 -26.907 1.00 0.00 C ATOM 1670 CD LYS A 108 4.747 13.984 -27.763 1.00 0.00 C ATOM 1671 CE LYS A 108 5.782 12.973 -28.259 1.00 0.00 C ATOM 1672 NZ LYS A 108 6.527 12.383 -27.136 1.00 0.00 N ATOM 0 H LYS A 108 1.087 12.643 -27.297 1.00 0.00 H new ATOM 0 HA LYS A 108 2.252 12.976 -24.706 1.00 0.00 H new ATOM 0 HB2 LYS A 108 2.149 14.737 -27.195 1.00 0.00 H new ATOM 0 HB3 LYS A 108 3.165 15.044 -25.800 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.203 12.759 -26.076 1.00 0.00 H new ATOM 0 HG3 LYS A 108 3.213 12.494 -27.498 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.262 14.471 -28.609 1.00 0.00 H new ATOM 0 HD3 LYS A 108 5.235 14.766 -27.182 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.283 12.185 -28.823 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.476 13.463 -28.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.540 12.592 -27.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 6.183 12.786 -26.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.385 11.353 -27.128 1.00 0.00 H new ATOM 1686 N ASN A 109 -0.572 14.334 -25.100 1.00 0.00 N ATOM 1687 CA ASN A 109 -1.617 15.129 -24.472 1.00 0.00 C ATOM 1688 C ASN A 109 -2.184 14.434 -23.232 1.00 0.00 C ATOM 1689 O ASN A 109 -2.957 15.045 -22.494 1.00 0.00 O ATOM 1690 CB ASN A 109 -2.726 15.399 -25.496 1.00 0.00 C ATOM 1691 CG ASN A 109 -2.221 16.166 -26.708 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -1.183 16.823 -26.663 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -2.960 16.092 -27.813 1.00 0.00 N ATOM 0 H ASN A 109 -0.919 13.695 -25.815 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.186 16.074 -24.141 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -3.155 14.451 -25.822 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -3.527 15.964 -25.020 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.670 16.589 -28.655 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.816 15.538 -27.818 1.00 0.00 H new ATOM 1700 N ASP A 110 -1.821 13.170 -22.994 1.00 0.00 N ATOM 1701 CA ASP A 110 -2.340 12.407 -21.859 1.00 0.00 C ATOM 1702 C ASP A 110 -1.281 11.648 -21.054 1.00 0.00 C ATOM 1703 O ASP A 110 -1.482 11.355 -19.878 1.00 0.00 O ATOM 1704 CB ASP A 110 -3.497 11.518 -22.337 1.00 0.00 C ATOM 1705 CG ASP A 110 -3.916 10.459 -21.316 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -3.912 9.263 -21.691 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -4.241 10.846 -20.171 1.00 0.00 O ATOM 0 H ASP A 110 -1.165 12.652 -23.578 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.719 13.124 -21.131 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.356 12.147 -22.569 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.205 11.023 -23.263 1.00 0.00 H new ATOM 1712 N SER A 111 -0.147 11.330 -21.685 1.00 0.00 N ATOM 1713 CA SER A 111 0.951 10.633 -21.021 1.00 0.00 C ATOM 1714 C SER A 111 1.673 11.537 -20.028 1.00 0.00 C ATOM 1715 O SER A 111 2.368 11.047 -19.139 1.00 0.00 O ATOM 1716 CB SER A 111 1.939 10.130 -22.069 1.00 0.00 C ATOM 1717 OG SER A 111 2.455 11.213 -22.810 1.00 0.00 O ATOM 0 H SER A 111 0.032 11.548 -22.665 1.00 0.00 H new ATOM 0 HA SER A 111 0.533 9.794 -20.465 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.753 9.591 -21.583 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.444 9.425 -22.737 1.00 0.00 H new ATOM 0 HG SER A 111 1.831 11.445 -23.529 1.00 0.00 H new ATOM 1723 N LYS A 112 1.513 12.855 -20.167 1.00 0.00 N ATOM 1724 CA LYS A 112 2.127 13.833 -19.280 1.00 0.00 C ATOM 1725 C LYS A 112 1.429 13.808 -17.915 1.00 0.00 C ATOM 1726 O LYS A 112 0.260 13.432 -17.826 1.00 0.00 O ATOM 1727 CB LYS A 112 2.061 15.213 -19.941 1.00 0.00 C ATOM 1728 CG LYS A 112 0.624 15.623 -20.269 1.00 0.00 C ATOM 1729 CD LYS A 112 0.622 16.982 -20.973 1.00 0.00 C ATOM 1730 CE LYS A 112 -0.794 17.386 -21.383 1.00 0.00 C ATOM 1731 NZ LYS A 112 -1.657 17.639 -20.211 1.00 0.00 N ATOM 0 H LYS A 112 0.948 13.272 -20.906 1.00 0.00 H new ATOM 0 HA LYS A 112 3.176 13.590 -19.108 1.00 0.00 H new ATOM 0 HB2 LYS A 112 2.507 15.954 -19.278 1.00 0.00 H new ATOM 0 HB3 LYS A 112 2.654 15.206 -20.856 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.158 14.872 -20.907 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.033 15.676 -19.355 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.042 17.739 -20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.261 16.939 -21.855 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.751 18.282 -22.002 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.234 16.598 -21.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.570 18.023 -20.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.816 16.748 -19.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.194 18.324 -19.580 1.00 0.00 H new ATOM 1745 N PRO A 113 2.132 14.207 -16.847 1.00 0.00 N ATOM 1746 CA PRO A 113 1.600 14.203 -15.492 1.00 0.00 C ATOM 1747 C PRO A 113 0.553 15.299 -15.295 1.00 0.00 C ATOM 1748 O PRO A 113 -0.185 15.272 -14.310 1.00 0.00 O ATOM 1749 CB PRO A 113 2.817 14.435 -14.596 1.00 0.00 C ATOM 1750 CG PRO A 113 3.739 15.275 -15.477 1.00 0.00 C ATOM 1751 CD PRO A 113 3.500 14.695 -16.867 1.00 0.00 C ATOM 0 HA PRO A 113 1.089 13.268 -15.260 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.548 14.959 -13.679 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.286 13.496 -14.301 1.00 0.00 H new ATOM 0 HG2 PRO A 113 3.486 16.334 -15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.782 15.183 -15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.636 15.453 -17.638 1.00 0.00 H new ATOM 0 HD3 PRO A 113 4.202 13.890 -17.084 1.00 0.00 H new ATOM 1759 N TRP A 114 0.484 16.261 -16.223 1.00 0.00 N ATOM 1760 CA TRP A 114 -0.502 17.332 -16.191 1.00 0.00 C ATOM 1761 C TRP A 114 -1.884 16.861 -16.632 1.00 0.00 C ATOM 1762 O TRP A 114 -2.817 16.983 -15.810 1.00 0.00 O ATOM 1763 CB TRP A 114 -0.009 18.514 -17.025 1.00 0.00 C ATOM 1764 CG TRP A 114 1.093 19.307 -16.397 1.00 0.00 C ATOM 1765 CD1 TRP A 114 2.415 19.104 -16.584 1.00 0.00 C ATOM 1766 CD2 TRP A 114 0.996 20.393 -15.424 1.00 0.00 C ATOM 1767 NE1 TRP A 114 3.137 20.006 -15.828 1.00 0.00 N ATOM 1768 CE2 TRP A 114 2.310 20.827 -15.091 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -0.069 21.060 -14.788 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 2.555 21.865 -14.182 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 0.164 22.102 -13.878 1.00 0.00 C ATOM 1772 CH2 TRP A 114 1.471 22.507 -13.573 1.00 0.00 C ATOM 0 H TRP A 114 1.118 16.313 -17.020 1.00 0.00 H new ATOM 0 HA TRP A 114 -0.615 17.659 -15.157 1.00 0.00 H new ATOM 0 HB2 TRP A 114 0.334 18.142 -17.990 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -0.850 19.179 -17.221 1.00 0.00 H new ATOM 0 HD1 TRP A 114 2.843 18.350 -17.228 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.156 20.058 -15.816 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -1.085 20.764 -15.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.567 22.166 -13.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.672 22.597 -13.407 1.00 0.00 H new ATOM 0 HH2 TRP A 114 1.640 23.310 -12.872 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 0.487 -13.148 -21.980 1.00 0.00 O ATOM 1785 C5' U B 115 1.691 -12.507 -22.347 1.00 0.00 C ATOM 1786 C4' U B 115 1.423 -11.123 -22.938 1.00 0.00 C ATOM 1787 O4' U B 115 0.791 -11.250 -24.204 1.00 0.00 O ATOM 1788 C3' U B 115 0.526 -10.292 -22.019 1.00 0.00 C ATOM 1789 O3' U B 115 1.041 -8.986 -21.909 1.00 0.00 O ATOM 1790 C2' U B 115 -0.821 -10.313 -22.724 1.00 0.00 C ATOM 1791 O2' U B 115 -1.536 -9.105 -22.567 1.00 0.00 O ATOM 1792 C1' U B 115 -0.470 -10.606 -24.180 1.00 0.00 C ATOM 1793 N1 U B 115 -1.498 -11.450 -24.839 1.00 0.00 N ATOM 1794 C2 U B 115 -2.001 -11.028 -26.061 1.00 0.00 C ATOM 1795 O2 U B 115 -1.612 -9.999 -26.611 1.00 0.00 O ATOM 1796 N3 U B 115 -2.974 -11.822 -26.640 1.00 0.00 N ATOM 1797 C4 U B 115 -3.475 -13.000 -26.117 1.00 0.00 C ATOM 1798 O4 U B 115 -4.342 -13.634 -26.717 1.00 0.00 O ATOM 1799 C5 U B 115 -2.891 -13.377 -24.849 1.00 0.00 C ATOM 1800 C6 U B 115 -1.943 -12.613 -24.258 1.00 0.00 C ATOM 0 H5' U B 115 2.225 -13.119 -23.074 1.00 0.00 H new ATOM 0 H5'' U B 115 2.337 -12.414 -21.474 1.00 0.00 H new ATOM 0 H4' U B 115 2.382 -10.617 -23.046 1.00 0.00 H new ATOM 0 H3' U B 115 0.458 -10.674 -21.001 1.00 0.00 H new ATOM 0 H2' U B 115 -1.494 -11.061 -22.305 1.00 0.00 H new ATOM 0 HO2' U B 115 -0.916 -8.348 -22.624 1.00 0.00 H new ATOM 0 HO5' U B 115 0.687 -14.032 -21.607 1.00 0.00 H new ATOM 0 H1' U B 115 -0.434 -9.669 -24.736 1.00 0.00 H new ATOM 0 H3 U B 115 -3.356 -11.511 -27.533 1.00 0.00 H new ATOM 0 H5 U B 115 -3.217 -14.285 -24.364 1.00 0.00 H new ATOM 0 H6 U B 115 -1.528 -12.924 -23.311 1.00 0.00 H new ATOM 1811 P U B 116 2.041 -8.621 -20.705 1.00 0.00 P ATOM 1812 OP1 U B 116 3.202 -9.538 -20.759 1.00 0.00 O ATOM 1813 OP2 U B 116 1.241 -8.525 -19.464 1.00 0.00 O ATOM 1814 O5' U B 116 2.543 -7.148 -21.092 1.00 0.00 O ATOM 1815 C5' U B 116 3.648 -6.959 -21.949 1.00 0.00 C ATOM 1816 C4' U B 116 3.881 -5.475 -22.225 1.00 0.00 C ATOM 1817 O4' U B 116 3.144 -5.103 -23.375 1.00 0.00 O ATOM 1818 C3' U B 116 3.411 -4.582 -21.073 1.00 0.00 C ATOM 1819 O3' U B 116 4.213 -3.419 -21.050 1.00 0.00 O ATOM 1820 C2' U B 116 1.970 -4.288 -21.482 1.00 0.00 C ATOM 1821 O2' U B 116 1.497 -3.057 -20.976 1.00 0.00 O ATOM 1822 C1' U B 116 2.062 -4.271 -23.006 1.00 0.00 C ATOM 1823 N1 U B 116 0.813 -4.743 -23.651 1.00 0.00 N ATOM 1824 C2 U B 116 0.003 -3.791 -24.257 1.00 0.00 C ATOM 1825 O2 U B 116 0.271 -2.592 -24.253 1.00 0.00 O ATOM 1826 N3 U B 116 -1.142 -4.257 -24.879 1.00 0.00 N ATOM 1827 C4 U B 116 -1.540 -5.579 -24.957 1.00 0.00 C ATOM 1828 O4 U B 116 -2.571 -5.888 -25.550 1.00 0.00 O ATOM 1829 C5 U B 116 -0.646 -6.501 -24.294 1.00 0.00 C ATOM 1830 C6 U B 116 0.467 -6.074 -23.660 1.00 0.00 C ATOM 0 H5' U B 116 3.478 -7.485 -22.889 1.00 0.00 H new ATOM 0 H5'' U B 116 4.540 -7.393 -21.498 1.00 0.00 H new ATOM 0 H4' U B 116 4.954 -5.337 -22.357 1.00 0.00 H new ATOM 0 H3' U B 116 3.480 -5.013 -20.074 1.00 0.00 H new ATOM 0 H2' U B 116 1.262 -5.018 -21.089 1.00 0.00 H new ATOM 0 HO2' U B 116 1.848 -2.919 -20.071 1.00 0.00 H new ATOM 0 H1' U B 116 2.215 -3.246 -23.343 1.00 0.00 H new ATOM 0 H3 U B 116 -1.746 -3.563 -25.319 1.00 0.00 H new ATOM 0 H5 U B 116 -0.874 -7.557 -24.306 1.00 0.00 H new ATOM 0 H6 U B 116 1.096 -6.790 -23.151 1.00 0.00 H new ATOM 1841 P U B 117 4.464 -2.616 -19.681 1.00 0.00 P ATOM 1842 OP1 U B 117 5.656 -3.189 -19.015 1.00 0.00 O ATOM 1843 OP2 U B 117 3.183 -2.538 -18.940 1.00 0.00 O ATOM 1844 O5' U B 117 4.822 -1.136 -20.199 1.00 0.00 O ATOM 1845 C5' U B 117 6.059 -0.878 -20.832 1.00 0.00 C ATOM 1846 C4' U B 117 6.141 0.584 -21.277 1.00 0.00 C ATOM 1847 O4' U B 117 5.214 0.816 -22.320 1.00 0.00 O ATOM 1848 C3' U B 117 5.800 1.545 -20.139 1.00 0.00 C ATOM 1849 O3' U B 117 6.595 2.709 -20.243 1.00 0.00 O ATOM 1850 C2' U B 117 4.338 1.856 -20.423 1.00 0.00 C ATOM 1851 O2' U B 117 3.918 3.090 -19.878 1.00 0.00 O ATOM 1852 C1' U B 117 4.344 1.861 -21.947 1.00 0.00 C ATOM 1853 N1 U B 117 3.009 1.628 -22.542 1.00 0.00 N ATOM 1854 C2 U B 117 2.440 2.640 -23.301 1.00 0.00 C ATOM 1855 O2 U B 117 2.988 3.728 -23.475 1.00 0.00 O ATOM 1856 N3 U B 117 1.203 2.372 -23.861 1.00 0.00 N ATOM 1857 C4 U B 117 0.487 1.198 -23.717 1.00 0.00 C ATOM 1858 O4 U B 117 -0.614 1.067 -24.250 1.00 0.00 O ATOM 1859 C5 U B 117 1.155 0.198 -22.911 1.00 0.00 C ATOM 1860 C6 U B 117 2.361 0.436 -22.353 1.00 0.00 C ATOM 0 H5' U B 117 6.176 -1.534 -21.695 1.00 0.00 H new ATOM 0 H5'' U B 117 6.878 -1.102 -20.148 1.00 0.00 H new ATOM 0 H4' U B 117 7.165 0.762 -21.605 1.00 0.00 H new ATOM 0 H3' U B 117 5.974 1.148 -19.139 1.00 0.00 H new ATOM 0 H2' U B 117 3.638 1.151 -19.975 1.00 0.00 H new ATOM 0 HO2' U B 117 4.443 3.288 -19.074 1.00 0.00 H new ATOM 0 H1' U B 117 4.658 2.840 -22.309 1.00 0.00 H new ATOM 0 H3 U B 117 0.782 3.106 -24.431 1.00 0.00 H new ATOM 0 H5 U B 117 0.679 -0.758 -22.753 1.00 0.00 H new ATOM 0 H6 U B 117 2.824 -0.328 -21.746 1.00 0.00 H new ATOM 1871 P A B 118 7.009 3.518 -18.917 1.00 0.00 P ATOM 1872 OP1 A B 118 5.890 3.463 -17.948 1.00 0.00 O ATOM 1873 OP2 A B 118 7.566 4.824 -19.331 1.00 0.00 O ATOM 1874 O5' A B 118 8.207 2.599 -18.368 1.00 0.00 O ATOM 1875 C5' A B 118 9.541 3.063 -18.371 1.00 0.00 C ATOM 1876 C4' A B 118 10.475 1.858 -18.428 1.00 0.00 C ATOM 1877 O4' A B 118 10.590 1.352 -19.751 1.00 0.00 O ATOM 1878 C3' A B 118 11.884 2.269 -18.020 1.00 0.00 C ATOM 1879 O3' A B 118 12.507 1.120 -17.477 1.00 0.00 O ATOM 1880 C2' A B 118 12.467 2.746 -19.352 1.00 0.00 C ATOM 1881 O2' A B 118 13.841 2.450 -19.467 1.00 0.00 O ATOM 1882 C1' A B 118 11.636 2.039 -20.425 1.00 0.00 C ATOM 1883 N9 A B 118 11.116 3.013 -21.409 1.00 0.00 N ATOM 1884 C8 A B 118 9.831 3.458 -21.614 1.00 0.00 C ATOM 1885 N7 A B 118 9.733 4.385 -22.531 1.00 0.00 N ATOM 1886 C5 A B 118 11.039 4.535 -22.990 1.00 0.00 C ATOM 1887 C6 A B 118 11.640 5.365 -23.961 1.00 0.00 C ATOM 1888 N6 A B 118 10.975 6.286 -24.662 1.00 0.00 N ATOM 1889 N1 A B 118 12.952 5.230 -24.191 1.00 0.00 N ATOM 1890 C2 A B 118 13.639 4.339 -23.493 1.00 0.00 C ATOM 1891 N3 A B 118 13.209 3.520 -22.543 1.00 0.00 N ATOM 1892 C4 A B 118 11.880 3.676 -22.336 1.00 0.00 C ATOM 0 H5' A B 118 9.738 3.653 -17.476 1.00 0.00 H new ATOM 0 H5'' A B 118 9.713 3.716 -19.227 1.00 0.00 H new ATOM 0 H4' A B 118 10.055 1.107 -17.760 1.00 0.00 H new ATOM 0 H3' A B 118 11.988 3.044 -17.261 1.00 0.00 H new ATOM 0 H2' A B 118 12.412 3.830 -19.449 1.00 0.00 H new ATOM 0 HO2' A B 118 13.964 1.478 -19.504 1.00 0.00 H new ATOM 0 H1' A B 118 12.241 1.331 -20.992 1.00 0.00 H new ATOM 0 H8 A B 118 8.981 3.077 -21.068 1.00 0.00 H new ATOM 0 H61 A B 118 11.466 6.856 -25.351 1.00 0.00 H new ATOM 0 H62 A B 118 9.976 6.420 -24.509 1.00 0.00 H new ATOM 0 H2 A B 118 14.691 4.270 -23.729 1.00 0.00 H new ATOM 1904 P A B 119 13.708 1.230 -16.405 1.00 0.00 P ATOM 1905 OP1 A B 119 13.639 0.042 -15.519 1.00 0.00 O ATOM 1906 OP2 A B 119 13.686 2.586 -15.809 1.00 0.00 O ATOM 1907 O5' A B 119 15.033 1.096 -17.304 1.00 0.00 O ATOM 1908 C5' A B 119 15.526 -0.174 -17.683 1.00 0.00 C ATOM 1909 C4' A B 119 14.504 -0.926 -18.534 1.00 0.00 C ATOM 1910 O4' A B 119 14.239 -0.264 -19.759 1.00 0.00 O ATOM 1911 C3' A B 119 15.086 -2.280 -18.908 1.00 0.00 C ATOM 1912 O3' A B 119 14.037 -3.217 -19.021 1.00 0.00 O ATOM 1913 C2' A B 119 15.776 -2.016 -20.243 1.00 0.00 C ATOM 1914 O2' A B 119 15.583 -3.083 -21.155 1.00 0.00 O ATOM 1915 C1' A B 119 15.141 -0.723 -20.748 1.00 0.00 C ATOM 1916 N9 A B 119 16.182 0.284 -21.049 1.00 0.00 N ATOM 1917 C8 A B 119 16.619 1.328 -20.275 1.00 0.00 C ATOM 1918 N7 A B 119 17.548 2.056 -20.835 1.00 0.00 N ATOM 1919 C5 A B 119 17.749 1.440 -22.067 1.00 0.00 C ATOM 1920 C6 A B 119 18.596 1.716 -23.154 1.00 0.00 C ATOM 1921 N6 A B 119 19.454 2.741 -23.175 1.00 0.00 N ATOM 1922 N1 A B 119 18.540 0.912 -24.221 1.00 0.00 N ATOM 1923 C2 A B 119 17.694 -0.107 -24.217 1.00 0.00 C ATOM 1924 N3 A B 119 16.845 -0.477 -23.268 1.00 0.00 N ATOM 1925 C4 A B 119 16.923 0.357 -22.203 1.00 0.00 C ATOM 0 H5' A B 119 15.763 -0.757 -16.793 1.00 0.00 H new ATOM 0 H5'' A B 119 16.454 -0.056 -18.242 1.00 0.00 H new ATOM 0 H4' A B 119 13.588 -0.999 -17.948 1.00 0.00 H new ATOM 0 H3' A B 119 15.781 -2.692 -18.177 1.00 0.00 H new ATOM 0 H2' A B 119 16.857 -1.931 -20.136 1.00 0.00 H new ATOM 0 HO2' A B 119 15.639 -2.743 -22.073 1.00 0.00 H new ATOM 0 HO3' A B 119 14.380 -4.046 -19.414 1.00 0.00 H new ATOM 0 H1' A B 119 14.599 -0.901 -21.677 1.00 0.00 H new ATOM 0 H8 A B 119 16.229 1.531 -19.288 1.00 0.00 H new ATOM 0 H61 A B 119 20.046 2.894 -23.992 1.00 0.00 H new ATOM 0 H62 A B 119 19.517 3.370 -22.374 1.00 0.00 H new ATOM 0 H2 A B 119 17.696 -0.719 -25.107 1.00 0.00 H new TER 1937 A B 119