USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 929 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -61:sc= -0.0261 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-0.88) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= -0.0934 (180deg=-0.267) USER MOD Single : A 18 HIS : no HE2:sc= -1.99! C(o=-2!,f=-3.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.01) USER MOD Single : A 31 SER OG : rot 160:sc= 0.0559 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc=-0.00235 (180deg=-0.0535) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -168:sc= 0 (180deg=-0.0786) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.416 (180deg=-0.457) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= 0.175 (180deg=-0.477) USER MOD Single : A 53 TYR OH : rot 119:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 56 ASN : amide:sc= -0.0904 K(o=-0.09,f=-2.9!) USER MOD Single : A 60 THR OG1 : rot -163:sc= -0.807 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 67 TYR OH : rot -37:sc= 0.101 USER MOD Single : A 70 GLN : amide:sc= -0.107 X(o=-0.11,f=0.036) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0262) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HE2:sc= -0.234 F(o=-1.1,f=-0.23) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.0343 F(o=-2.6,f=-0.034) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.96 F(o=-3.5!,f=-2) USER MOD Single : A 102 HIS : no HD1:sc= -0.731 X(o=-0.73,f=-0.5) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.521 K(o=-0.52,f=-5.4!) USER MOD Single : A 112 THR OG1 : rot -150:sc= -1.76 USER MOD Single : A 113 SER OG : rot -44:sc= -0.631 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.286 F(o=-1.8,f=-0.29) USER MOD Single : A 118 SER OG : rot -170:sc= 0.363 USER MOD Single : A 120 SER OG : rot 180:sc= -0.584 USER MOD Single : A 121 THR OG1 : rot -57:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.435 15.365 -26.880 1.00 0.00 N ATOM 2 CA GLY A 1 -3.002 14.511 -27.919 1.00 0.00 C ATOM 3 C GLY A 1 -4.212 13.767 -27.408 1.00 0.00 C ATOM 4 O GLY A 1 -4.111 12.785 -26.664 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.605 15.865 -27.257 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.147 16.058 -26.573 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.149 14.781 -26.069 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.281 15.117 -28.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.250 13.799 -28.260 1.00 0.00 H new ATOM 10 N SER A 2 -5.386 14.228 -27.801 1.00 0.00 N ATOM 11 CA SER A 2 -6.635 13.567 -27.433 1.00 0.00 C ATOM 12 C SER A 2 -6.875 13.653 -25.944 1.00 0.00 C ATOM 13 O SER A 2 -6.086 14.229 -25.188 1.00 0.00 O ATOM 14 CB SER A 2 -6.648 12.100 -27.931 1.00 0.00 C ATOM 15 OG SER A 2 -6.577 11.149 -26.862 1.00 0.00 O ATOM 0 H SER A 2 -5.505 15.061 -28.378 1.00 0.00 H new ATOM 0 HA SER A 2 -7.456 14.089 -27.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.557 11.925 -28.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.807 11.943 -28.607 1.00 0.00 H new ATOM 0 HG SER A 2 -5.741 11.275 -26.367 1.00 0.00 H new ATOM 21 N GLY A 3 -7.983 13.088 -25.501 1.00 0.00 N ATOM 22 CA GLY A 3 -8.385 13.171 -24.100 1.00 0.00 C ATOM 23 C GLY A 3 -9.374 14.292 -23.887 1.00 0.00 C ATOM 24 O GLY A 3 -9.052 15.356 -23.348 1.00 0.00 O ATOM 0 H GLY A 3 -8.627 12.562 -26.092 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -8.829 12.225 -23.789 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.507 13.332 -23.475 1.00 0.00 H new ATOM 28 N THR A 4 -10.610 14.062 -24.295 1.00 0.00 N ATOM 29 CA THR A 4 -11.684 15.027 -24.083 1.00 0.00 C ATOM 30 C THR A 4 -11.928 15.248 -22.609 1.00 0.00 C ATOM 31 O THR A 4 -11.534 16.264 -22.025 1.00 0.00 O ATOM 32 CB THR A 4 -12.998 14.557 -24.795 1.00 0.00 C ATOM 33 OG1 THR A 4 -13.067 15.088 -26.113 1.00 0.00 O ATOM 34 CG2 THR A 4 -14.326 14.988 -24.135 1.00 0.00 C ATOM 0 H THR A 4 -10.899 13.211 -24.778 1.00 0.00 H new ATOM 0 HA THR A 4 -11.376 15.976 -24.521 1.00 0.00 H new ATOM 0 HB THR A 4 -12.919 13.471 -24.744 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.892 14.784 -26.545 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.163 14.604 -24.718 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.375 14.589 -23.122 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.378 16.076 -24.099 1.00 0.00 H new ATOM 42 N GLY A 5 -12.570 14.283 -21.976 1.00 0.00 N ATOM 43 CA GLY A 5 -12.800 14.319 -20.535 1.00 0.00 C ATOM 44 C GLY A 5 -13.408 13.026 -20.047 1.00 0.00 C ATOM 45 O GLY A 5 -14.600 12.943 -19.731 1.00 0.00 O ATOM 0 H GLY A 5 -12.946 13.455 -22.439 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.857 14.499 -20.018 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.461 15.150 -20.290 1.00 0.00 H new ATOM 49 N ALA A 6 -12.588 11.995 -19.960 1.00 0.00 N ATOM 50 CA ALA A 6 -13.024 10.702 -19.442 1.00 0.00 C ATOM 51 C ALA A 6 -13.206 10.757 -17.943 1.00 0.00 C ATOM 52 O ALA A 6 -14.225 10.325 -17.390 1.00 0.00 O ATOM 53 CB ALA A 6 -11.989 9.651 -19.878 1.00 0.00 C ATOM 0 H ALA A 6 -11.608 12.024 -20.243 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.998 10.428 -19.847 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.287 8.671 -19.506 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.934 9.624 -20.966 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.012 9.912 -19.472 1.00 0.00 H new ATOM 59 N GLY A 7 -12.213 11.295 -17.259 1.00 0.00 N ATOM 60 CA GLY A 7 -12.298 11.533 -15.822 1.00 0.00 C ATOM 61 C GLY A 7 -12.011 10.270 -15.046 1.00 0.00 C ATOM 62 O GLY A 7 -12.746 9.883 -14.131 1.00 0.00 O ATOM 0 H GLY A 7 -11.327 11.580 -17.677 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.588 12.309 -15.536 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.292 11.901 -15.569 1.00 0.00 H new ATOM 66 N GLU A 8 -10.926 9.601 -15.400 1.00 0.00 N ATOM 67 CA GLU A 8 -10.616 8.295 -14.826 1.00 0.00 C ATOM 68 C GLU A 8 -9.136 8.151 -14.522 1.00 0.00 C ATOM 69 O GLU A 8 -8.397 9.139 -14.473 1.00 0.00 O ATOM 70 CB GLU A 8 -11.087 7.199 -15.823 1.00 0.00 C ATOM 71 CG GLU A 8 -12.492 7.382 -16.491 1.00 0.00 C ATOM 72 CD GLU A 8 -13.100 6.181 -17.222 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.340 5.730 -18.258 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.169 5.677 -16.903 1.00 0.00 O ATOM 0 H GLU A 8 -10.244 9.937 -16.080 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.140 8.187 -13.876 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.344 7.126 -16.617 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.087 6.244 -15.297 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.193 7.692 -15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.419 8.205 -17.202 1.00 0.00 H new ATOM 81 N GLY A 9 -8.710 6.915 -14.286 1.00 0.00 N ATOM 82 CA GLY A 9 -7.283 6.656 -14.130 1.00 0.00 C ATOM 83 C GLY A 9 -6.460 7.046 -15.349 1.00 0.00 C ATOM 84 O GLY A 9 -6.802 7.893 -16.176 1.00 0.00 O ATOM 0 H GLY A 9 -9.313 6.097 -14.200 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.915 7.203 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.134 5.596 -13.925 1.00 0.00 H new ATOM 88 N HIS A 10 -5.319 6.357 -15.471 1.00 0.00 N ATOM 89 CA HIS A 10 -4.494 6.494 -16.669 1.00 0.00 C ATOM 90 C HIS A 10 -4.103 5.128 -17.183 1.00 0.00 C ATOM 91 O HIS A 10 -4.116 4.132 -16.439 1.00 0.00 O ATOM 92 CB HIS A 10 -3.248 7.309 -16.285 1.00 0.00 C ATOM 93 CG HIS A 10 -2.903 8.368 -17.295 1.00 0.00 C ATOM 94 ND1 HIS A 10 -1.958 9.377 -17.115 1.00 0.00 N ATOM 95 CD2 HIS A 10 -3.502 8.451 -18.544 1.00 0.00 C ATOM 96 CE1 HIS A 10 -2.058 10.001 -18.304 1.00 0.00 C ATOM 97 NE2 HIS A 10 -2.954 9.518 -19.208 1.00 0.00 N ATOM 0 H HIS A 10 -4.955 5.713 -14.769 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.042 7.002 -17.462 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.413 7.780 -15.316 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.400 6.634 -16.171 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.266 7.791 -18.926 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.445 10.860 -18.534 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.165 9.863 -20.144 1.00 0.00 H new ATOM 105 N GLU A 11 -3.775 5.043 -18.459 1.00 0.00 N ATOM 106 CA GLU A 11 -3.373 3.768 -19.053 1.00 0.00 C ATOM 107 C GLU A 11 -2.293 3.969 -20.090 1.00 0.00 C ATOM 108 O GLU A 11 -2.493 4.608 -21.130 1.00 0.00 O ATOM 109 CB GLU A 11 -4.629 3.088 -19.665 1.00 0.00 C ATOM 110 CG GLU A 11 -5.665 4.005 -20.394 1.00 0.00 C ATOM 111 CD GLU A 11 -6.969 4.349 -19.669 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.630 3.520 -19.058 1.00 0.00 O ATOM 113 OE2 GLU A 11 -7.321 5.661 -19.767 1.00 0.00 O ATOM 0 H GLU A 11 -3.777 5.832 -19.105 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.953 3.121 -18.283 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.290 2.333 -20.375 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.150 2.562 -18.865 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.164 4.942 -20.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.926 3.526 -21.338 1.00 0.00 H new ATOM 120 N GLY A 12 -1.120 3.426 -19.815 1.00 0.00 N ATOM 121 CA GLY A 12 0.049 3.664 -20.660 1.00 0.00 C ATOM 122 C GLY A 12 0.926 2.439 -20.734 1.00 0.00 C ATOM 123 O GLY A 12 0.744 1.460 -19.999 1.00 0.00 O ATOM 0 H GLY A 12 -0.946 2.817 -19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.274 3.944 -21.662 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.623 4.502 -20.264 1.00 0.00 H new ATOM 127 N TYR A 13 1.886 2.460 -21.642 1.00 0.00 N ATOM 128 CA TYR A 13 2.888 1.399 -21.718 1.00 0.00 C ATOM 129 C TYR A 13 4.167 1.824 -21.033 1.00 0.00 C ATOM 130 O TYR A 13 5.081 2.416 -21.618 1.00 0.00 O ATOM 131 CB TYR A 13 3.212 1.036 -23.197 1.00 0.00 C ATOM 132 CG TYR A 13 3.873 2.107 -24.070 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.123 3.196 -24.528 1.00 0.00 C ATOM 134 CD2 TYR A 13 5.222 2.003 -24.427 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.723 4.187 -25.299 1.00 0.00 C ATOM 136 CE2 TYR A 13 5.829 3.016 -25.166 1.00 0.00 C ATOM 137 CZ TYR A 13 5.076 4.096 -25.617 1.00 0.00 C ATOM 138 OH TYR A 13 5.666 5.066 -26.376 1.00 0.00 O ATOM 0 H TYR A 13 1.997 3.197 -22.338 1.00 0.00 H new ATOM 0 HA TYR A 13 2.472 0.525 -21.216 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.862 0.161 -23.192 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.281 0.739 -23.680 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.074 3.268 -24.282 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.793 1.136 -24.129 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.140 5.026 -25.650 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.884 2.963 -25.389 1.00 0.00 H new ATOM 0 HH TYR A 13 6.613 4.850 -26.504 1.00 0.00 H new ATOM 148 N VAL A 14 4.244 1.541 -19.741 1.00 0.00 N ATOM 149 CA VAL A 14 5.349 2.006 -18.909 1.00 0.00 C ATOM 150 C VAL A 14 5.996 0.859 -18.173 1.00 0.00 C ATOM 151 O VAL A 14 5.594 -0.303 -18.293 1.00 0.00 O ATOM 152 CB VAL A 14 4.841 3.077 -17.861 1.00 0.00 C ATOM 153 CG1 VAL A 14 4.037 4.269 -18.443 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.941 2.491 -16.746 1.00 0.00 C ATOM 0 H VAL A 14 3.549 0.987 -19.241 1.00 0.00 H new ATOM 0 HA VAL A 14 6.087 2.463 -19.568 1.00 0.00 H new ATOM 0 HB VAL A 14 5.796 3.429 -17.472 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.741 4.937 -17.635 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.657 4.813 -19.155 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.147 3.895 -18.949 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.635 3.288 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.058 2.036 -17.193 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.496 1.736 -16.190 1.00 0.00 H new ATOM 164 N THR A 15 7.005 1.192 -17.377 1.00 0.00 N ATOM 165 CA THR A 15 7.583 0.196 -16.473 1.00 0.00 C ATOM 166 C THR A 15 6.798 0.208 -15.173 1.00 0.00 C ATOM 167 O THR A 15 7.145 0.834 -14.168 1.00 0.00 O ATOM 168 CB THR A 15 9.116 0.419 -16.234 1.00 0.00 C ATOM 169 OG1 THR A 15 9.876 -0.289 -17.204 1.00 0.00 O ATOM 170 CG2 THR A 15 9.678 -0.061 -14.878 1.00 0.00 C ATOM 0 H THR A 15 7.433 2.117 -17.335 1.00 0.00 H new ATOM 0 HA THR A 15 7.504 -0.788 -16.936 1.00 0.00 H new ATOM 0 HB THR A 15 9.207 1.504 -16.283 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.831 -0.140 -17.044 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.747 0.148 -14.833 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.171 0.463 -14.068 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.513 -1.134 -14.775 1.00 0.00 H new ATOM 178 N ARG A 16 5.667 -0.480 -15.209 1.00 0.00 N ATOM 179 CA ARG A 16 4.694 -0.478 -14.124 1.00 0.00 C ATOM 180 C ARG A 16 5.050 -1.507 -13.078 1.00 0.00 C ATOM 181 O ARG A 16 5.643 -2.553 -13.362 1.00 0.00 O ATOM 182 CB ARG A 16 3.284 -0.751 -14.718 1.00 0.00 C ATOM 183 CG ARG A 16 2.438 -1.778 -13.913 1.00 0.00 C ATOM 184 CD ARG A 16 2.707 -3.225 -14.343 1.00 0.00 C ATOM 185 NE ARG A 16 3.137 -3.993 -13.147 1.00 0.00 N ATOM 186 CZ ARG A 16 3.896 -5.080 -13.153 1.00 0.00 C ATOM 187 NH1 ARG A 16 4.321 -5.672 -14.230 1.00 0.00 N ATOM 188 NH2 ARG A 16 4.232 -5.577 -12.015 1.00 0.00 N ATOM 0 H ARG A 16 5.395 -1.062 -16.001 1.00 0.00 H new ATOM 0 HA ARG A 16 4.698 0.495 -13.632 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.737 0.190 -14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.397 -1.113 -15.740 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.657 -1.671 -12.851 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.379 -1.554 -14.044 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.809 -3.666 -14.775 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.479 -3.256 -15.112 1.00 0.00 H new ATOM 0 HE ARG A 16 2.820 -3.654 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.072 -5.302 -15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.903 -6.507 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.915 -5.135 -11.152 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.815 -6.413 -11.976 1.00 0.00 H new ATOM 202 N LYS A 17 4.673 -1.228 -11.845 1.00 0.00 N ATOM 203 CA LYS A 17 4.790 -2.183 -10.748 1.00 0.00 C ATOM 204 C LYS A 17 3.434 -2.420 -10.125 1.00 0.00 C ATOM 205 O LYS A 17 2.561 -1.532 -10.151 1.00 0.00 O ATOM 206 CB LYS A 17 5.812 -1.664 -9.700 1.00 0.00 C ATOM 207 CG LYS A 17 5.581 -2.235 -8.279 1.00 0.00 C ATOM 208 CD LYS A 17 6.859 -2.563 -7.501 1.00 0.00 C ATOM 209 CE LYS A 17 7.985 -2.883 -8.492 1.00 0.00 C ATOM 210 NZ LYS A 17 7.657 -4.117 -9.226 1.00 0.00 N ATOM 0 H LYS A 17 4.275 -0.330 -11.570 1.00 0.00 H new ATOM 0 HA LYS A 17 5.156 -3.135 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.819 -1.922 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.758 -0.576 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.998 -1.516 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.980 -3.141 -8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.142 -1.720 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.688 -3.412 -6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.116 -2.056 -9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.929 -3.003 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.349 -4.261 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.686 -4.927 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.704 -4.035 -9.634 1.00 0.00 H new ATOM 224 N HIS A 18 3.203 -3.600 -9.584 1.00 0.00 N ATOM 225 CA HIS A 18 1.875 -3.964 -9.088 1.00 0.00 C ATOM 226 C HIS A 18 1.969 -4.747 -7.798 1.00 0.00 C ATOM 227 O HIS A 18 3.053 -5.088 -7.316 1.00 0.00 O ATOM 228 CB HIS A 18 1.219 -4.814 -10.188 1.00 0.00 C ATOM 229 CG HIS A 18 1.675 -6.244 -10.187 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.835 -6.735 -9.593 1.00 0.00 N ATOM 231 CD2 HIS A 18 0.954 -7.258 -10.807 1.00 0.00 C ATOM 232 CE1 HIS A 18 2.725 -8.038 -9.914 1.00 0.00 C ATOM 233 NE2 HIS A 18 1.638 -8.433 -10.629 1.00 0.00 N ATOM 0 H HIS A 18 3.910 -4.327 -9.473 1.00 0.00 H new ATOM 0 HA HIS A 18 1.287 -3.073 -8.870 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.137 -4.785 -10.062 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.439 -4.371 -11.159 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.560 -6.248 -9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.020 -7.141 -11.336 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.479 -8.750 -9.612 1.00 0.00 H new ATOM 241 N GLU A 19 0.813 -5.009 -7.213 1.00 0.00 N ATOM 242 CA GLU A 19 0.666 -5.868 -6.044 1.00 0.00 C ATOM 243 C GLU A 19 1.708 -6.968 -5.996 1.00 0.00 C ATOM 244 O GLU A 19 1.614 -7.998 -6.671 1.00 0.00 O ATOM 245 CB GLU A 19 -0.767 -6.474 -6.067 1.00 0.00 C ATOM 246 CG GLU A 19 -1.375 -6.935 -4.701 1.00 0.00 C ATOM 247 CD GLU A 19 -1.119 -8.372 -4.239 1.00 0.00 C ATOM 248 OE1 GLU A 19 -1.691 -9.339 -4.723 1.00 0.00 O ATOM 249 OE2 GLU A 19 -0.198 -8.470 -3.241 1.00 0.00 O ATOM 0 H GLU A 19 -0.072 -4.623 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 19 0.818 -5.267 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.439 -5.734 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.759 -7.332 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.999 -6.265 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.454 -6.790 -4.752 1.00 0.00 H new ATOM 256 N TRP A 20 2.717 -6.757 -5.170 1.00 0.00 N ATOM 257 CA TRP A 20 3.798 -7.719 -4.976 1.00 0.00 C ATOM 258 C TRP A 20 3.361 -8.856 -4.086 1.00 0.00 C ATOM 259 O TRP A 20 2.572 -8.682 -3.147 1.00 0.00 O ATOM 260 CB TRP A 20 5.012 -6.989 -4.336 1.00 0.00 C ATOM 261 CG TRP A 20 6.239 -6.863 -5.244 1.00 0.00 C ATOM 262 CD1 TRP A 20 6.593 -7.754 -6.278 1.00 0.00 C ATOM 263 CD2 TRP A 20 7.162 -5.840 -5.295 1.00 0.00 C ATOM 264 NE1 TRP A 20 7.724 -7.304 -6.987 1.00 0.00 N ATOM 265 CE2 TRP A 20 8.059 -6.115 -6.357 1.00 0.00 C ATOM 266 CE3 TRP A 20 7.300 -4.657 -4.524 1.00 0.00 C ATOM 267 CZ2 TRP A 20 9.125 -5.230 -6.629 1.00 0.00 C ATOM 268 CZ3 TRP A 20 8.397 -3.829 -4.771 1.00 0.00 C ATOM 269 CH2 TRP A 20 9.284 -4.100 -5.822 1.00 0.00 C ATOM 0 H TRP A 20 2.814 -5.910 -4.610 1.00 0.00 H new ATOM 0 HA TRP A 20 4.075 -8.137 -5.944 1.00 0.00 H new ATOM 0 HB2 TRP A 20 4.698 -5.990 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 20 5.301 -7.521 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.063 -8.668 -6.499 1.00 0.00 H new ATOM 0 HE1 TRP A 20 8.188 -7.749 -7.779 1.00 0.00 H new ATOM 0 HE3 TRP A 20 6.575 -4.403 -3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 9.805 -5.423 -7.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.565 -2.967 -4.143 1.00 0.00 H new ATOM 0 HH2 TRP A 20 10.105 -3.424 -6.011 1.00 0.00 H new ATOM 280 N ASP A 21 3.877 -10.044 -4.347 1.00 0.00 N ATOM 281 CA ASP A 21 3.597 -11.208 -3.509 1.00 0.00 C ATOM 282 C ASP A 21 4.869 -11.939 -3.147 1.00 0.00 C ATOM 283 O ASP A 21 5.976 -11.392 -3.198 1.00 0.00 O ATOM 284 CB ASP A 21 2.576 -12.143 -4.208 1.00 0.00 C ATOM 285 CG ASP A 21 1.517 -11.482 -5.102 1.00 0.00 C ATOM 286 OD1 ASP A 21 1.164 -10.318 -4.978 1.00 0.00 O ATOM 287 OD2 ASP A 21 0.997 -12.344 -6.030 1.00 0.00 O ATOM 0 H ASP A 21 4.496 -10.234 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 21 3.151 -10.863 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.132 -12.857 -4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.059 -12.714 -3.437 1.00 0.00 H new ATOM 292 N SER A 22 4.722 -13.189 -2.751 1.00 0.00 N ATOM 293 CA SER A 22 5.853 -14.066 -2.454 1.00 0.00 C ATOM 294 C SER A 22 6.435 -13.754 -1.096 1.00 0.00 C ATOM 295 O SER A 22 6.271 -12.657 -0.550 1.00 0.00 O ATOM 296 CB SER A 22 6.931 -13.986 -3.566 1.00 0.00 C ATOM 297 OG SER A 22 7.594 -15.235 -3.787 1.00 0.00 O ATOM 0 H SER A 22 3.812 -13.633 -2.624 1.00 0.00 H new ATOM 0 HA SER A 22 5.486 -15.092 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.464 -13.658 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.669 -13.231 -3.296 1.00 0.00 H new ATOM 0 HG SER A 22 8.261 -15.130 -4.497 1.00 0.00 H new ATOM 303 N THR A 23 7.109 -14.730 -0.518 1.00 0.00 N ATOM 304 CA THR A 23 7.637 -14.618 0.838 1.00 0.00 C ATOM 305 C THR A 23 8.824 -13.685 0.880 1.00 0.00 C ATOM 306 O THR A 23 9.545 -13.498 -0.107 1.00 0.00 O ATOM 307 CB THR A 23 8.022 -16.029 1.396 1.00 0.00 C ATOM 308 OG1 THR A 23 6.905 -16.907 1.344 1.00 0.00 O ATOM 309 CG2 THR A 23 8.487 -16.080 2.868 1.00 0.00 C ATOM 0 H THR A 23 7.308 -15.623 -0.970 1.00 0.00 H new ATOM 0 HA THR A 23 6.857 -14.198 1.473 1.00 0.00 H new ATOM 0 HB THR A 23 8.857 -16.316 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.163 -17.785 1.695 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.725 -17.109 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.373 -15.458 2.991 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.691 -15.710 3.514 1.00 0.00 H new ATOM 317 N THR A 24 9.060 -13.095 2.038 1.00 0.00 N ATOM 318 CA THR A 24 10.124 -12.109 2.198 1.00 0.00 C ATOM 319 C THR A 24 11.482 -12.771 2.189 1.00 0.00 C ATOM 320 O THR A 24 11.753 -13.712 2.942 1.00 0.00 O ATOM 321 CB THR A 24 9.919 -11.284 3.514 1.00 0.00 C ATOM 322 OG1 THR A 24 10.857 -11.686 4.505 1.00 0.00 O ATOM 323 CG2 THR A 24 8.545 -11.426 4.203 1.00 0.00 C ATOM 0 H THR A 24 8.528 -13.280 2.888 1.00 0.00 H new ATOM 0 HA THR A 24 10.079 -11.423 1.352 1.00 0.00 H new ATOM 0 HB THR A 24 10.033 -10.256 3.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.717 -11.160 5.320 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.523 -10.809 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.760 -11.100 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.380 -12.469 4.475 1.00 0.00 H new ATOM 331 N LYS A 25 12.352 -12.301 1.313 1.00 0.00 N ATOM 332 CA LYS A 25 13.673 -12.896 1.136 1.00 0.00 C ATOM 333 C LYS A 25 14.599 -11.947 0.413 1.00 0.00 C ATOM 334 O LYS A 25 14.696 -11.941 -0.819 1.00 0.00 O ATOM 335 CB LYS A 25 13.540 -14.237 0.364 1.00 0.00 C ATOM 336 CG LYS A 25 14.119 -15.451 1.133 1.00 0.00 C ATOM 337 CD LYS A 25 13.127 -16.591 1.376 1.00 0.00 C ATOM 338 CE LYS A 25 12.544 -17.049 0.033 1.00 0.00 C ATOM 339 NZ LYS A 25 12.884 -18.465 -0.192 1.00 0.00 N ATOM 0 H LYS A 25 12.169 -11.502 0.706 1.00 0.00 H new ATOM 0 HA LYS A 25 14.106 -13.094 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.487 -14.421 0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.050 -14.147 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.971 -15.842 0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.497 -15.106 2.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.626 -17.423 1.872 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.328 -16.258 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.462 -16.919 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.941 -16.436 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.489 -18.776 -1.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.918 -18.576 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.485 -19.044 0.574 1.00 0.00 H new ATOM 353 N LYS A 26 15.281 -11.109 1.173 1.00 0.00 N ATOM 354 CA LYS A 26 16.105 -10.047 0.603 1.00 0.00 C ATOM 355 C LYS A 26 17.132 -10.610 -0.350 1.00 0.00 C ATOM 356 O LYS A 26 18.196 -11.098 0.050 1.00 0.00 O ATOM 357 CB LYS A 26 16.789 -9.249 1.748 1.00 0.00 C ATOM 358 CG LYS A 26 15.795 -8.412 2.593 1.00 0.00 C ATOM 359 CD LYS A 26 16.374 -7.120 3.174 1.00 0.00 C ATOM 360 CE LYS A 26 15.251 -6.322 3.850 1.00 0.00 C ATOM 361 NZ LYS A 26 15.829 -5.438 4.878 1.00 0.00 N ATOM 0 H LYS A 26 15.283 -11.140 2.193 1.00 0.00 H new ATOM 0 HA LYS A 26 15.466 -9.373 0.033 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.315 -9.945 2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.540 -8.585 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 26 14.935 -8.161 1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.428 -9.029 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.157 -7.351 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.834 -6.526 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.712 -5.732 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.529 -7.001 4.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.069 -4.896 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.325 -6.011 5.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.502 -4.782 4.433 1.00 0.00 H new ATOM 375 N ALA A 27 16.842 -10.531 -1.636 1.00 0.00 N ATOM 376 CA ALA A 27 17.738 -11.061 -2.661 1.00 0.00 C ATOM 377 C ALA A 27 17.203 -10.787 -4.046 1.00 0.00 C ATOM 378 O ALA A 27 17.910 -10.289 -4.931 1.00 0.00 O ATOM 379 CB ALA A 27 17.929 -12.561 -2.381 1.00 0.00 C ATOM 0 H ALA A 27 15.991 -10.104 -2.002 1.00 0.00 H new ATOM 0 HA ALA A 27 18.708 -10.565 -2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 27 18.595 -12.989 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 18.364 -12.694 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 16.963 -13.065 -2.423 1.00 0.00 H new ATOM 385 N SER A 28 15.948 -11.130 -4.270 1.00 0.00 N ATOM 386 CA SER A 28 15.289 -10.855 -5.545 1.00 0.00 C ATOM 387 C SER A 28 15.455 -9.406 -5.936 1.00 0.00 C ATOM 388 O SER A 28 15.605 -8.516 -5.089 1.00 0.00 O ATOM 389 CB SER A 28 13.796 -11.266 -5.499 1.00 0.00 C ATOM 390 OG SER A 28 13.506 -12.405 -6.318 1.00 0.00 O ATOM 0 H SER A 28 15.357 -11.602 -3.585 1.00 0.00 H new ATOM 0 HA SER A 28 15.770 -11.460 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.516 -11.485 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.183 -10.425 -5.824 1.00 0.00 H new ATOM 0 HG SER A 28 12.553 -12.622 -6.251 1.00 0.00 H new ATOM 396 N ASN A 29 15.413 -9.134 -7.229 1.00 0.00 N ATOM 397 CA ASN A 29 15.703 -7.797 -7.740 1.00 0.00 C ATOM 398 C ASN A 29 14.786 -7.432 -8.885 1.00 0.00 C ATOM 399 O ASN A 29 14.086 -8.271 -9.462 1.00 0.00 O ATOM 400 CB ASN A 29 17.192 -7.729 -8.189 1.00 0.00 C ATOM 401 CG ASN A 29 17.776 -8.984 -8.848 1.00 0.00 C ATOM 402 OD1 ASN A 29 18.291 -9.882 -8.200 1.00 0.00 O ATOM 403 ND2 ASN A 29 17.718 -9.097 -10.147 1.00 0.00 N ATOM 0 H ASN A 29 15.181 -9.819 -7.948 1.00 0.00 H new ATOM 0 HA ASN A 29 15.530 -7.075 -6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 29 17.298 -6.899 -8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.799 -7.491 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.099 -9.925 -10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.292 -8.357 -10.705 1.00 0.00 H new ATOM 410 N ARG A 30 14.765 -6.154 -9.215 1.00 0.00 N ATOM 411 CA ARG A 30 14.048 -5.653 -10.384 1.00 0.00 C ATOM 412 C ARG A 30 12.557 -5.880 -10.236 1.00 0.00 C ATOM 413 O ARG A 30 11.918 -5.210 -9.391 1.00 0.00 O ATOM 414 CB ARG A 30 14.638 -6.330 -11.653 1.00 0.00 C ATOM 415 CG ARG A 30 16.096 -5.922 -11.993 1.00 0.00 C ATOM 416 CD ARG A 30 16.196 -4.480 -12.510 1.00 0.00 C ATOM 417 NE ARG A 30 17.633 -4.138 -12.660 1.00 0.00 N ATOM 418 CZ ARG A 30 18.115 -3.147 -13.398 1.00 0.00 C ATOM 419 NH1 ARG A 30 17.390 -2.370 -14.147 1.00 0.00 N ATOM 420 NH2 ARG A 30 19.385 -2.946 -13.365 1.00 0.00 N ATOM 0 H ARG A 30 15.244 -5.428 -8.682 1.00 0.00 H new ATOM 0 HA ARG A 30 14.180 -4.575 -10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 30 14.600 -7.411 -11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.001 -6.090 -12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.717 -6.030 -11.104 1.00 0.00 H new ATOM 0 HG3 ARG A 30 16.495 -6.603 -12.745 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.681 -4.382 -13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 30 15.713 -3.793 -11.815 1.00 0.00 H new ATOM 0 HE ARG A 30 18.306 -4.713 -12.153 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.380 -2.504 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.831 -1.627 -14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 30 19.980 -3.538 -12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 30 19.797 -2.194 -13.918 1.00 0.00 H new ATOM 434 N SER A 31 11.934 -6.742 -11.013 1.00 0.00 N ATOM 435 CA SER A 31 10.532 -7.159 -10.856 1.00 0.00 C ATOM 436 C SER A 31 9.563 -6.214 -11.537 1.00 0.00 C ATOM 437 O SER A 31 8.408 -6.577 -11.812 1.00 0.00 O ATOM 438 CB SER A 31 10.165 -7.359 -9.365 1.00 0.00 C ATOM 439 OG SER A 31 9.796 -8.710 -9.060 1.00 0.00 O ATOM 0 H SER A 31 12.395 -7.194 -11.802 1.00 0.00 H new ATOM 0 HA SER A 31 10.437 -8.121 -11.359 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.014 -7.070 -8.745 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.340 -6.695 -9.106 1.00 0.00 H new ATOM 0 HG SER A 31 9.886 -8.864 -8.096 1.00 0.00 H new ATOM 445 N TRP A 32 9.986 -4.993 -11.811 1.00 0.00 N ATOM 446 CA TRP A 32 9.184 -4.072 -12.614 1.00 0.00 C ATOM 447 C TRP A 32 9.010 -4.630 -14.010 1.00 0.00 C ATOM 448 O TRP A 32 9.959 -5.201 -14.583 1.00 0.00 O ATOM 449 CB TRP A 32 9.871 -2.678 -12.715 1.00 0.00 C ATOM 450 CG TRP A 32 10.177 -1.953 -11.396 1.00 0.00 C ATOM 451 CD1 TRP A 32 11.116 -2.369 -10.430 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.695 -0.737 -10.954 1.00 0.00 C ATOM 453 NE1 TRP A 32 11.237 -1.432 -9.386 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.351 -0.426 -9.736 1.00 0.00 C ATOM 455 CE3 TRP A 32 8.728 0.149 -11.496 1.00 0.00 C ATOM 456 CZ2 TRP A 32 10.087 0.799 -9.086 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.499 1.365 -10.847 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.205 1.703 -9.684 1.00 0.00 C ATOM 0 H TRP A 32 10.877 -4.612 -11.493 1.00 0.00 H new ATOM 0 HA TRP A 32 8.215 -3.957 -12.129 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.808 -2.801 -13.259 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.235 -2.030 -13.318 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.674 -3.292 -10.484 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.838 -1.482 -8.563 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.181 -0.111 -12.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.558 1.033 -8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.769 2.053 -11.246 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.065 2.679 -9.243 1.00 0.00 H new ATOM 469 N ASP A 33 7.829 -4.515 -14.585 1.00 0.00 N ATOM 470 CA ASP A 33 7.543 -5.123 -15.885 1.00 0.00 C ATOM 471 C ASP A 33 6.949 -4.112 -16.839 1.00 0.00 C ATOM 472 O ASP A 33 6.020 -3.366 -16.512 1.00 0.00 O ATOM 473 CB ASP A 33 6.628 -6.362 -15.708 1.00 0.00 C ATOM 474 CG ASP A 33 6.981 -7.598 -16.552 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.801 -7.302 -17.605 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.575 -8.721 -16.293 1.00 0.00 O ATOM 0 H ASP A 33 7.045 -4.006 -14.177 1.00 0.00 H new ATOM 0 HA ASP A 33 8.480 -5.462 -16.327 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.643 -6.650 -14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.605 -6.068 -15.944 1.00 0.00 H new ATOM 481 N LYS A 34 7.474 -4.095 -18.053 1.00 0.00 N ATOM 482 CA LYS A 34 6.950 -3.240 -19.114 1.00 0.00 C ATOM 483 C LYS A 34 5.658 -3.794 -19.666 1.00 0.00 C ATOM 484 O LYS A 34 5.638 -4.766 -20.431 1.00 0.00 O ATOM 485 CB LYS A 34 8.014 -3.091 -20.235 1.00 0.00 C ATOM 486 CG LYS A 34 8.355 -1.617 -20.569 1.00 0.00 C ATOM 487 CD LYS A 34 8.889 -1.384 -21.985 1.00 0.00 C ATOM 488 CE LYS A 34 7.753 -0.862 -22.875 1.00 0.00 C ATOM 489 NZ LYS A 34 6.764 -1.933 -23.083 1.00 0.00 N ATOM 0 H LYS A 34 8.270 -4.668 -18.333 1.00 0.00 H new ATOM 0 HA LYS A 34 6.733 -2.256 -18.699 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.925 -3.607 -19.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.653 -3.586 -21.137 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.459 -1.012 -20.430 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.096 -1.260 -19.854 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.709 -0.666 -21.963 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.289 -2.312 -22.393 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.278 0.001 -22.409 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.151 -0.528 -23.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.066 -1.628 -23.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.247 -2.791 -23.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.279 -2.137 -22.186 1.00 0.00 H new ATOM 503 N VAL A 35 4.553 -3.176 -19.294 1.00 0.00 N ATOM 504 CA VAL A 35 3.231 -3.679 -19.654 1.00 0.00 C ATOM 505 C VAL A 35 2.303 -2.552 -20.039 1.00 0.00 C ATOM 506 O VAL A 35 2.636 -1.366 -19.913 1.00 0.00 O ATOM 507 CB VAL A 35 2.623 -4.503 -18.449 1.00 0.00 C ATOM 508 CG1 VAL A 35 3.642 -5.084 -17.430 1.00 0.00 C ATOM 509 CG2 VAL A 35 1.594 -3.715 -17.597 1.00 0.00 C ATOM 0 H VAL A 35 4.540 -2.320 -18.740 1.00 0.00 H new ATOM 0 HA VAL A 35 3.338 -4.333 -20.519 1.00 0.00 H new ATOM 0 HB VAL A 35 2.154 -5.318 -19.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.108 -5.627 -16.651 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.323 -5.762 -17.943 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.211 -4.270 -16.980 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.225 -4.351 -16.792 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.073 -2.833 -17.172 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.760 -3.407 -18.227 1.00 0.00 H new ATOM 519 N TYR A 36 1.117 -2.915 -20.491 1.00 0.00 N ATOM 520 CA TYR A 36 0.060 -1.939 -20.745 1.00 0.00 C ATOM 521 C TYR A 36 -0.911 -1.907 -19.584 1.00 0.00 C ATOM 522 O TYR A 36 -1.959 -2.562 -19.553 1.00 0.00 O ATOM 523 CB TYR A 36 -0.739 -2.278 -22.039 1.00 0.00 C ATOM 524 CG TYR A 36 -0.300 -1.570 -23.327 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.479 -0.189 -23.459 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.270 -2.295 -24.378 1.00 0.00 C ATOM 527 CE1 TYR A 36 -0.065 0.463 -24.616 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.683 -1.639 -25.535 1.00 0.00 C ATOM 529 CZ TYR A 36 0.551 -0.257 -25.637 1.00 0.00 C ATOM 530 OH TYR A 36 1.023 0.391 -26.742 1.00 0.00 O ATOM 0 H TYR A 36 0.856 -3.880 -20.692 1.00 0.00 H new ATOM 0 HA TYR A 36 0.543 -0.970 -20.869 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.678 -3.354 -22.204 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.788 -2.042 -21.862 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.940 0.373 -22.660 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.390 -3.365 -24.292 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.221 1.526 -24.723 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.106 -2.203 -26.353 1.00 0.00 H new ATOM 0 HH TYR A 36 1.424 -0.259 -27.356 1.00 0.00 H new ATOM 540 N MET A 37 -0.543 -1.139 -18.569 1.00 0.00 N ATOM 541 CA MET A 37 -1.300 -1.080 -17.324 1.00 0.00 C ATOM 542 C MET A 37 -2.417 -0.066 -17.424 1.00 0.00 C ATOM 543 O MET A 37 -2.188 1.129 -17.640 1.00 0.00 O ATOM 544 CB MET A 37 -0.348 -0.748 -16.143 1.00 0.00 C ATOM 545 CG MET A 37 -0.994 -0.709 -14.740 1.00 0.00 C ATOM 546 SD MET A 37 -0.776 0.925 -14.018 1.00 0.00 S ATOM 547 CE MET A 37 -0.524 0.439 -12.306 1.00 0.00 C ATOM 0 H MET A 37 0.284 -0.542 -18.583 1.00 0.00 H new ATOM 0 HA MET A 37 -1.754 -2.054 -17.140 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.454 -1.486 -16.131 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.113 0.221 -16.336 1.00 0.00 H new ATOM 0 HG2 MET A 37 -2.055 -0.947 -14.811 1.00 0.00 H new ATOM 0 HG3 MET A 37 -0.540 -1.464 -14.099 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.582 1.319 -11.666 1.00 0.00 H new ATOM 0 HE2 MET A 37 -1.294 -0.274 -12.013 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.458 -0.023 -12.200 1.00 0.00 H new ATOM 557 N ALA A 38 -3.640 -0.542 -17.296 1.00 0.00 N ATOM 558 CA ALA A 38 -4.823 0.313 -17.223 1.00 0.00 C ATOM 559 C ALA A 38 -5.370 0.334 -15.815 1.00 0.00 C ATOM 560 O ALA A 38 -6.271 -0.439 -15.458 1.00 0.00 O ATOM 561 CB ALA A 38 -5.842 -0.204 -18.255 1.00 0.00 C ATOM 0 H ALA A 38 -3.849 -1.539 -17.239 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.578 1.347 -17.465 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.738 0.416 -18.224 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.404 -0.159 -19.252 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.106 -1.235 -18.021 1.00 0.00 H new ATOM 567 N ALA A 39 -4.861 1.230 -14.990 1.00 0.00 N ATOM 568 CA ALA A 39 -5.193 1.236 -13.567 1.00 0.00 C ATOM 569 C ALA A 39 -4.923 2.583 -12.944 1.00 0.00 C ATOM 570 O ALA A 39 -4.580 3.581 -13.619 1.00 0.00 O ATOM 571 CB ALA A 39 -4.378 0.107 -12.907 1.00 0.00 C ATOM 0 H ALA A 39 -4.215 1.966 -15.276 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.258 1.058 -13.416 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.597 0.076 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.646 -0.848 -13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.314 0.293 -13.054 1.00 0.00 H new ATOM 577 N LYS A 40 -5.123 2.658 -11.638 1.00 0.00 N ATOM 578 CA LYS A 40 -4.737 3.832 -10.860 1.00 0.00 C ATOM 579 C LYS A 40 -4.856 3.601 -9.370 1.00 0.00 C ATOM 580 O LYS A 40 -3.976 3.002 -8.732 1.00 0.00 O ATOM 581 CB LYS A 40 -5.614 5.037 -11.305 1.00 0.00 C ATOM 582 CG LYS A 40 -6.960 4.589 -11.952 1.00 0.00 C ATOM 583 CD LYS A 40 -7.877 3.649 -11.159 1.00 0.00 C ATOM 584 CE LYS A 40 -8.992 3.145 -12.085 1.00 0.00 C ATOM 585 NZ LYS A 40 -9.945 4.240 -12.341 1.00 0.00 N ATOM 0 H LYS A 40 -5.554 1.915 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.685 4.043 -11.053 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.822 5.669 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.056 5.644 -12.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.530 5.488 -12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.727 4.103 -12.899 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.306 2.809 -10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.305 4.172 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.568 2.790 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.506 2.300 -11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.570 3.979 -13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.516 4.410 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.422 5.105 -12.586 1.00 0.00 H new ATOM 599 N ALA A 41 -5.945 4.051 -8.782 1.00 0.00 N ATOM 600 CA ALA A 41 -6.129 4.072 -7.325 1.00 0.00 C ATOM 601 C ALA A 41 -7.606 3.990 -6.994 1.00 0.00 C ATOM 602 O ALA A 41 -8.152 4.623 -6.085 1.00 0.00 O ATOM 603 CB ALA A 41 -5.429 5.340 -6.807 1.00 0.00 C ATOM 0 H ALA A 41 -6.744 4.419 -9.299 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.681 3.212 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.539 5.400 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.370 5.301 -7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.881 6.219 -7.267 1.00 0.00 H new ATOM 609 N GLY A 42 -8.309 3.194 -7.790 1.00 0.00 N ATOM 610 CA GLY A 42 -9.766 3.073 -7.743 1.00 0.00 C ATOM 611 C GLY A 42 -10.175 1.726 -8.322 1.00 0.00 C ATOM 612 O GLY A 42 -11.053 1.037 -7.797 1.00 0.00 O ATOM 0 H GLY A 42 -7.877 2.603 -8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.117 3.162 -6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.229 3.881 -8.309 1.00 0.00 H new ATOM 616 N ARG A 43 -9.509 1.354 -9.396 1.00 0.00 N ATOM 617 CA ARG A 43 -9.621 0.025 -9.990 1.00 0.00 C ATOM 618 C ARG A 43 -8.425 -0.263 -10.868 1.00 0.00 C ATOM 619 O ARG A 43 -8.035 0.553 -11.716 1.00 0.00 O ATOM 620 CB ARG A 43 -10.938 -0.085 -10.811 1.00 0.00 C ATOM 621 CG ARG A 43 -12.159 0.715 -10.276 1.00 0.00 C ATOM 622 CD ARG A 43 -13.471 0.265 -10.936 1.00 0.00 C ATOM 623 NE ARG A 43 -14.331 1.457 -11.141 1.00 0.00 N ATOM 624 CZ ARG A 43 -15.273 1.882 -10.310 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.576 1.301 -9.187 1.00 0.00 N ATOM 626 NH2 ARG A 43 -15.924 2.940 -10.641 1.00 0.00 N ATOM 0 H ARG A 43 -8.865 1.970 -9.892 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.646 -0.715 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.734 0.245 -11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.218 -1.137 -10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.233 0.586 -9.196 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.006 1.778 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.267 -0.223 -11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.980 -0.465 -10.307 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.185 1.996 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.076 0.461 -8.896 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.314 1.685 -8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.708 3.419 -11.515 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.657 3.300 -10.030 1.00 0.00 H new ATOM 640 N ILE A 44 -7.803 -1.412 -10.676 1.00 0.00 N ATOM 641 CA ILE A 44 -6.702 -1.837 -11.537 1.00 0.00 C ATOM 642 C ILE A 44 -7.183 -2.753 -12.638 1.00 0.00 C ATOM 643 O ILE A 44 -8.120 -3.540 -12.474 1.00 0.00 O ATOM 644 CB ILE A 44 -5.536 -2.499 -10.694 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.498 -1.490 -10.106 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.754 -3.585 -11.497 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.020 -0.064 -9.834 1.00 0.00 C ATOM 0 H ILE A 44 -8.037 -2.071 -9.933 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.294 -0.946 -12.014 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.069 -2.956 -9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.113 -1.899 -9.172 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.656 -1.422 -10.795 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.967 -4.005 -10.870 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.439 -4.378 -11.799 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.309 -3.132 -12.383 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.214 0.547 -9.428 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.376 0.377 -10.765 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.839 -0.107 -9.116 1.00 0.00 H new ATOM 659 N SER A 45 -6.554 -2.642 -13.794 1.00 0.00 N ATOM 660 CA SER A 45 -6.785 -3.543 -14.919 1.00 0.00 C ATOM 661 C SER A 45 -5.500 -3.762 -15.684 1.00 0.00 C ATOM 662 O SER A 45 -4.959 -2.822 -16.297 1.00 0.00 O ATOM 663 CB SER A 45 -7.916 -3.017 -15.835 1.00 0.00 C ATOM 664 OG SER A 45 -7.741 -3.384 -17.208 1.00 0.00 O ATOM 0 H SER A 45 -5.861 -1.918 -13.985 1.00 0.00 H new ATOM 0 HA SER A 45 -7.114 -4.507 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.872 -3.403 -15.481 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.962 -1.931 -15.758 1.00 0.00 H new ATOM 0 HG SER A 45 -8.483 -3.027 -17.739 1.00 0.00 H new ATOM 670 N PHE A 46 -4.982 -4.976 -15.704 1.00 0.00 N ATOM 671 CA PHE A 46 -3.656 -5.234 -16.276 1.00 0.00 C ATOM 672 C PHE A 46 -3.682 -6.003 -17.582 1.00 0.00 C ATOM 673 O PHE A 46 -4.461 -6.944 -17.764 1.00 0.00 O ATOM 674 CB PHE A 46 -2.823 -6.078 -15.262 1.00 0.00 C ATOM 675 CG PHE A 46 -2.348 -5.356 -13.993 1.00 0.00 C ATOM 676 CD1 PHE A 46 -2.261 -3.959 -13.983 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.062 -6.071 -12.827 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.936 -3.284 -12.811 1.00 0.00 C ATOM 679 CE2 PHE A 46 -1.708 -5.395 -11.662 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.677 -4.002 -11.645 1.00 0.00 C ATOM 0 H PHE A 46 -5.451 -5.803 -15.334 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.221 -4.255 -16.476 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.422 -6.937 -14.961 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.947 -6.467 -15.781 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.447 -3.402 -14.890 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.116 -7.150 -12.829 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.884 -2.205 -12.805 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.457 -5.951 -10.771 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.452 -3.478 -10.728 1.00 0.00 H new ATOM 690 N TYR A 47 -2.810 -5.618 -18.494 1.00 0.00 N ATOM 691 CA TYR A 47 -2.576 -6.375 -19.721 1.00 0.00 C ATOM 692 C TYR A 47 -1.241 -6.002 -20.327 1.00 0.00 C ATOM 693 O TYR A 47 -0.912 -4.811 -20.456 1.00 0.00 O ATOM 694 CB TYR A 47 -3.694 -6.103 -20.771 1.00 0.00 C ATOM 695 CG TYR A 47 -3.945 -4.649 -21.191 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.642 -3.787 -20.339 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.490 -4.179 -22.427 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.964 -2.500 -20.758 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.817 -2.891 -22.845 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.558 -2.056 -22.014 1.00 0.00 C ATOM 701 OH TYR A 47 -4.890 -0.799 -22.434 1.00 0.00 O ATOM 0 H TYR A 47 -2.242 -4.775 -18.411 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.581 -7.433 -19.457 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.456 -6.674 -21.668 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.628 -6.503 -20.377 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.931 -4.121 -19.353 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.885 -4.814 -23.057 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.528 -1.846 -20.110 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.495 -2.540 -23.814 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.528 -0.648 -23.332 1.00 0.00 H new ATOM 711 N LYS A 48 -0.429 -6.980 -20.688 1.00 0.00 N ATOM 712 CA LYS A 48 0.878 -6.706 -21.293 1.00 0.00 C ATOM 713 C LYS A 48 0.726 -6.286 -22.737 1.00 0.00 C ATOM 714 O LYS A 48 1.392 -5.377 -23.246 1.00 0.00 O ATOM 715 CB LYS A 48 1.789 -7.958 -21.174 1.00 0.00 C ATOM 716 CG LYS A 48 3.219 -7.632 -20.672 1.00 0.00 C ATOM 717 CD LYS A 48 4.350 -8.225 -21.516 1.00 0.00 C ATOM 718 CE LYS A 48 4.936 -9.443 -20.789 1.00 0.00 C ATOM 719 NZ LYS A 48 6.223 -9.811 -21.406 1.00 0.00 N ATOM 0 H LYS A 48 -0.644 -7.971 -20.576 1.00 0.00 H new ATOM 0 HA LYS A 48 1.346 -5.881 -20.755 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.326 -8.672 -20.492 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.855 -8.444 -22.147 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.339 -6.549 -20.640 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.320 -7.994 -19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.974 -8.518 -22.496 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.126 -7.478 -21.683 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.079 -9.215 -19.733 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.241 -10.281 -20.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.621 -10.636 -20.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.073 -10.045 -22.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.885 -9.012 -21.332 1.00 0.00 H new ATOM 733 N ASP A 49 -0.193 -6.946 -23.420 1.00 0.00 N ATOM 734 CA ASP A 49 -0.584 -6.593 -24.781 1.00 0.00 C ATOM 735 C ASP A 49 -1.967 -7.119 -25.088 1.00 0.00 C ATOM 736 O ASP A 49 -2.797 -7.315 -24.187 1.00 0.00 O ATOM 737 CB ASP A 49 0.464 -7.098 -25.808 1.00 0.00 C ATOM 738 CG ASP A 49 1.779 -7.666 -25.258 1.00 0.00 C ATOM 739 OD1 ASP A 49 2.737 -6.963 -24.963 1.00 0.00 O ATOM 740 OD2 ASP A 49 1.773 -9.029 -25.161 1.00 0.00 O ATOM 0 H ASP A 49 -0.696 -7.750 -23.045 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.617 -5.506 -24.861 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.007 -7.870 -26.417 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.708 -6.270 -26.474 1.00 0.00 H new ATOM 745 N GLN A 50 -2.254 -7.328 -26.357 1.00 0.00 N ATOM 746 CA GLN A 50 -3.494 -7.975 -26.778 1.00 0.00 C ATOM 747 C GLN A 50 -3.327 -9.473 -26.883 1.00 0.00 C ATOM 748 O GLN A 50 -3.622 -10.109 -27.900 1.00 0.00 O ATOM 749 CB GLN A 50 -3.920 -7.371 -28.134 1.00 0.00 C ATOM 750 CG GLN A 50 -4.486 -5.913 -28.096 1.00 0.00 C ATOM 751 CD GLN A 50 -5.686 -5.549 -28.976 1.00 0.00 C ATOM 752 OE1 GLN A 50 -6.830 -5.661 -28.564 1.00 0.00 O ATOM 753 NE2 GLN A 50 -5.494 -5.084 -30.185 1.00 0.00 N ATOM 0 H GLN A 50 -1.642 -7.058 -27.127 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.268 -7.797 -26.032 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.058 -7.386 -28.801 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.676 -8.020 -28.575 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.759 -5.695 -27.064 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.671 -5.239 -28.359 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.546 -4.983 -30.548 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.292 -4.823 -30.764 1.00 0.00 H new ATOM 762 N LYS A 51 -2.867 -10.073 -25.800 1.00 0.00 N ATOM 763 CA LYS A 51 -2.523 -11.492 -25.755 1.00 0.00 C ATOM 764 C LYS A 51 -3.714 -12.302 -25.305 1.00 0.00 C ATOM 765 O LYS A 51 -4.583 -12.663 -26.135 1.00 0.00 O ATOM 766 CB LYS A 51 -1.303 -11.676 -24.804 1.00 0.00 C ATOM 767 CG LYS A 51 -1.392 -10.728 -23.569 1.00 0.00 C ATOM 768 CD LYS A 51 -0.652 -11.169 -22.311 1.00 0.00 C ATOM 769 CE LYS A 51 0.581 -11.998 -22.695 1.00 0.00 C ATOM 770 NZ LYS A 51 1.544 -11.141 -23.406 1.00 0.00 N ATOM 0 H LYS A 51 -2.718 -9.588 -24.915 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.250 -11.850 -26.748 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.257 -12.711 -24.466 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.381 -11.477 -25.351 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.010 -9.750 -23.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.444 -10.597 -23.316 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.349 -10.297 -21.732 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.314 -11.758 -21.677 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.042 -12.419 -21.802 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.287 -12.836 -23.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.210 -11.736 -23.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.034 -10.516 -24.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.070 -10.565 -22.718 1.00 0.00 H new ATOM 784 N GLY A 52 -3.803 -12.641 -24.035 1.00 0.00 N ATOM 785 CA GLY A 52 -5.043 -13.258 -23.516 1.00 0.00 C ATOM 786 C GLY A 52 -6.185 -12.304 -23.872 1.00 0.00 C ATOM 787 O GLY A 52 -7.288 -12.692 -24.260 1.00 0.00 O ATOM 0 H GLY A 52 -3.062 -12.511 -23.346 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.204 -14.239 -23.962 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.982 -13.404 -22.438 1.00 0.00 H new ATOM 791 N TYR A 53 -5.873 -11.023 -23.762 1.00 0.00 N ATOM 792 CA TYR A 53 -6.768 -9.951 -24.186 1.00 0.00 C ATOM 793 C TYR A 53 -7.387 -10.241 -25.536 1.00 0.00 C ATOM 794 O TYR A 53 -8.616 -10.106 -25.713 1.00 0.00 O ATOM 795 CB TYR A 53 -6.000 -8.601 -24.296 1.00 0.00 C ATOM 796 CG TYR A 53 -6.378 -7.514 -23.280 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.849 -7.885 -22.016 1.00 0.00 C ATOM 798 CD2 TYR A 53 -6.265 -6.159 -23.605 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.277 -6.912 -21.117 1.00 0.00 C ATOM 800 CE2 TYR A 53 -6.639 -5.187 -22.680 1.00 0.00 C ATOM 801 CZ TYR A 53 -7.168 -5.563 -21.448 1.00 0.00 C ATOM 802 OH TYR A 53 -7.577 -4.607 -20.563 1.00 0.00 O ATOM 0 H TYR A 53 -4.989 -10.693 -23.375 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.551 -9.885 -23.431 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.934 -8.806 -24.196 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.155 -8.201 -25.298 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.881 -8.928 -21.737 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.888 -5.866 -24.574 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.693 -7.203 -20.164 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.519 -4.141 -22.919 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.817 -4.036 -20.324 1.00 0.00 H new ATOM 812 N LYS A 54 -6.593 -10.616 -26.523 1.00 0.00 N ATOM 813 CA LYS A 54 -7.139 -11.058 -27.810 1.00 0.00 C ATOM 814 C LYS A 54 -8.190 -12.121 -27.594 1.00 0.00 C ATOM 815 O LYS A 54 -9.370 -11.965 -27.925 1.00 0.00 O ATOM 816 CB LYS A 54 -6.010 -11.590 -28.734 1.00 0.00 C ATOM 817 CG LYS A 54 -5.566 -10.608 -29.846 1.00 0.00 C ATOM 818 CD LYS A 54 -4.445 -11.133 -30.750 1.00 0.00 C ATOM 819 CE LYS A 54 -3.614 -9.953 -31.272 1.00 0.00 C ATOM 820 NZ LYS A 54 -2.195 -10.349 -31.345 1.00 0.00 N ATOM 0 H LYS A 54 -5.575 -10.626 -26.467 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.603 -10.202 -28.299 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.144 -11.838 -28.120 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.347 -12.516 -29.200 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.430 -10.365 -30.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.235 -9.679 -29.381 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.809 -11.823 -30.195 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.868 -11.691 -31.585 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.970 -9.650 -32.257 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.730 -9.092 -30.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.630 -9.551 -31.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.860 -10.618 -30.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.093 -11.158 -31.990 1.00 0.00 H new ATOM 834 N SER A 55 -7.765 -13.229 -27.002 1.00 0.00 N ATOM 835 CA SER A 55 -8.652 -14.380 -26.833 1.00 0.00 C ATOM 836 C SER A 55 -9.730 -14.086 -25.816 1.00 0.00 C ATOM 837 O SER A 55 -10.896 -13.841 -26.145 1.00 0.00 O ATOM 838 CB SER A 55 -7.852 -15.653 -26.458 1.00 0.00 C ATOM 839 OG SER A 55 -6.574 -15.363 -25.882 1.00 0.00 O ATOM 0 H SER A 55 -6.823 -13.359 -26.633 1.00 0.00 H new ATOM 0 HA SER A 55 -9.141 -14.571 -27.788 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.435 -16.247 -25.754 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.712 -16.263 -27.350 1.00 0.00 H new ATOM 0 HG SER A 55 -6.115 -16.201 -25.664 1.00 0.00 H new ATOM 845 N ASN A 56 -9.341 -14.085 -24.551 1.00 0.00 N ATOM 846 CA ASN A 56 -10.286 -13.960 -23.445 1.00 0.00 C ATOM 847 C ASN A 56 -10.036 -12.703 -22.643 1.00 0.00 C ATOM 848 O ASN A 56 -8.916 -12.433 -22.207 1.00 0.00 O ATOM 849 CB ASN A 56 -10.178 -15.213 -22.528 1.00 0.00 C ATOM 850 CG ASN A 56 -10.617 -16.558 -23.121 1.00 0.00 C ATOM 851 OD1 ASN A 56 -10.042 -17.071 -24.069 1.00 0.00 O ATOM 852 ND2 ASN A 56 -11.624 -17.184 -22.578 1.00 0.00 N ATOM 0 H ASN A 56 -8.367 -14.170 -24.259 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.292 -13.892 -23.858 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.141 -15.308 -22.207 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.773 -15.029 -21.633 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.921 -18.088 -22.945 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.115 -16.770 -21.786 1.00 0.00 H new ATOM 859 N PRO A 57 -11.072 -11.916 -22.418 1.00 0.00 N ATOM 860 CA PRO A 57 -11.038 -10.557 -21.719 1.00 0.00 C ATOM 861 C PRO A 57 -10.785 -10.606 -20.229 1.00 0.00 C ATOM 862 O PRO A 57 -10.320 -9.628 -19.621 1.00 0.00 O ATOM 863 CB PRO A 57 -12.405 -9.928 -21.950 1.00 0.00 C ATOM 864 CG PRO A 57 -13.309 -11.170 -21.989 1.00 0.00 C ATOM 865 CD PRO A 57 -12.482 -12.189 -22.784 1.00 0.00 C ATOM 0 HA PRO A 57 -10.203 -9.994 -22.136 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.683 -9.243 -21.149 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.445 -9.362 -22.881 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.537 -11.532 -20.987 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.261 -10.958 -22.476 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.764 -13.210 -22.529 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.640 -12.073 -23.856 1.00 0.00 H new ATOM 873 N GLU A 58 -11.101 -11.722 -19.597 1.00 0.00 N ATOM 874 CA GLU A 58 -10.779 -11.957 -18.193 1.00 0.00 C ATOM 875 C GLU A 58 -9.492 -12.737 -18.034 1.00 0.00 C ATOM 876 O GLU A 58 -9.244 -13.342 -16.973 1.00 0.00 O ATOM 877 CB GLU A 58 -11.970 -12.716 -17.543 1.00 0.00 C ATOM 878 CG GLU A 58 -12.090 -14.248 -17.835 1.00 0.00 C ATOM 879 CD GLU A 58 -12.319 -15.199 -16.659 1.00 0.00 C ATOM 880 OE1 GLU A 58 -13.434 -15.501 -16.253 1.00 0.00 O ATOM 881 OE2 GLU A 58 -11.169 -15.677 -16.109 1.00 0.00 O ATOM 0 H GLU A 58 -11.591 -12.498 -20.042 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.624 -11.000 -17.695 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.906 -12.583 -16.463 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.893 -12.237 -17.869 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.910 -14.388 -18.539 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.177 -14.561 -18.342 1.00 0.00 H new ATOM 888 N LEU A 59 -8.635 -12.738 -19.037 1.00 0.00 N ATOM 889 CA LEU A 59 -7.374 -13.480 -18.975 1.00 0.00 C ATOM 890 C LEU A 59 -6.323 -12.845 -19.855 1.00 0.00 C ATOM 891 O LEU A 59 -6.027 -13.321 -20.957 1.00 0.00 O ATOM 892 CB LEU A 59 -7.591 -14.969 -19.367 1.00 0.00 C ATOM 893 CG LEU A 59 -8.073 -15.958 -18.271 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.390 -17.356 -18.831 1.00 0.00 C ATOM 895 CD2 LEU A 59 -7.018 -16.073 -17.162 1.00 0.00 C ATOM 0 H LEU A 59 -8.783 -12.234 -19.911 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.016 -13.444 -17.946 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.316 -14.996 -20.181 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.650 -15.348 -19.766 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.000 -15.553 -17.865 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.722 -18.006 -18.021 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.178 -17.278 -19.580 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.495 -17.776 -19.289 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.367 -16.769 -16.399 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.083 -16.438 -17.586 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.855 -15.094 -16.712 1.00 0.00 H new ATOM 907 N THR A 60 -5.722 -11.771 -19.377 1.00 0.00 N ATOM 908 CA THR A 60 -4.600 -11.121 -20.048 1.00 0.00 C ATOM 909 C THR A 60 -3.309 -11.847 -19.758 1.00 0.00 C ATOM 910 O THR A 60 -3.328 -13.029 -19.354 1.00 0.00 O ATOM 911 CB THR A 60 -4.504 -9.616 -19.617 1.00 0.00 C ATOM 912 OG1 THR A 60 -3.514 -9.421 -18.615 1.00 0.00 O ATOM 913 CG2 THR A 60 -5.787 -9.003 -19.009 1.00 0.00 C ATOM 0 H THR A 60 -5.997 -11.318 -18.506 1.00 0.00 H new ATOM 0 HA THR A 60 -4.772 -11.160 -21.124 1.00 0.00 H new ATOM 0 HB THR A 60 -4.280 -9.126 -20.564 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.657 -8.555 -18.178 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.604 -7.961 -18.749 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.597 -9.059 -19.736 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.066 -9.557 -18.113 1.00 0.00 H new ATOM 921 N PHE A 61 -2.173 -11.204 -19.971 1.00 0.00 N ATOM 922 CA PHE A 61 -0.896 -11.781 -19.539 1.00 0.00 C ATOM 923 C PHE A 61 -1.016 -12.218 -18.095 1.00 0.00 C ATOM 924 O PHE A 61 -1.738 -11.533 -17.323 1.00 0.00 O ATOM 925 CB PHE A 61 0.255 -10.742 -19.680 1.00 0.00 C ATOM 926 CG PHE A 61 1.050 -10.327 -18.434 1.00 0.00 C ATOM 927 CD1 PHE A 61 0.564 -9.306 -17.609 1.00 0.00 C ATOM 928 CD2 PHE A 61 2.287 -10.911 -18.147 1.00 0.00 C ATOM 929 CE1 PHE A 61 1.324 -8.844 -16.541 1.00 0.00 C ATOM 930 CE2 PHE A 61 3.044 -10.454 -17.071 1.00 0.00 C ATOM 931 CZ PHE A 61 2.573 -9.405 -16.283 1.00 0.00 C ATOM 0 H PHE A 61 -2.100 -10.297 -20.432 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.662 -12.638 -20.171 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.966 -11.137 -20.405 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.172 -9.837 -20.113 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.407 -8.875 -17.803 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.657 -11.719 -18.761 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.947 -8.051 -15.912 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.996 -10.912 -16.847 1.00 0.00 H new ATOM 0 HZ PHE A 61 3.177 -9.027 -15.472 1.00 0.00 H new ATOM 941 N ARG A 62 -0.369 -13.270 -17.642 1.00 0.00 N ATOM 942 CA ARG A 62 -0.629 -13.823 -16.309 1.00 0.00 C ATOM 943 C ARG A 62 -0.526 -12.794 -15.210 1.00 0.00 C ATOM 944 O ARG A 62 -0.888 -13.108 -14.043 1.00 0.00 O ATOM 945 CB ARG A 62 0.356 -15.000 -16.070 1.00 0.00 C ATOM 946 CG ARG A 62 0.531 -15.409 -14.583 1.00 0.00 C ATOM 947 CD ARG A 62 1.488 -16.592 -14.401 1.00 0.00 C ATOM 948 NE ARG A 62 0.948 -17.749 -15.162 1.00 0.00 N ATOM 949 CZ ARG A 62 1.665 -18.751 -15.651 1.00 0.00 C ATOM 950 NH1 ARG A 62 2.944 -18.898 -15.466 1.00 0.00 N ATOM 951 NH2 ARG A 62 1.048 -19.634 -16.355 1.00 0.00 N ATOM 0 H ARG A 62 0.346 -13.769 -18.172 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.660 -14.176 -16.277 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.008 -15.867 -16.632 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.331 -14.728 -16.475 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.904 -14.555 -14.018 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.442 -15.667 -14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.484 -16.333 -14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.584 -16.844 -13.345 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.059 -17.774 -15.321 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.461 -18.215 -14.913 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.430 -19.696 -15.874 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.045 -19.546 -16.518 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.562 -20.421 -16.750 1.00 0.00 H new ATOM 965 N GLY A 63 -0.041 -11.598 -15.453 1.00 0.00 N ATOM 966 CA GLY A 63 -0.168 -10.502 -14.476 1.00 0.00 C ATOM 967 C GLY A 63 -1.457 -9.742 -14.871 1.00 0.00 C ATOM 968 O GLY A 63 -1.517 -8.524 -15.013 1.00 0.00 O ATOM 0 H GLY A 63 0.447 -11.344 -16.312 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.237 -10.889 -13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.701 -9.845 -14.509 1.00 0.00 H new ATOM 972 N GLU A 64 -2.498 -10.535 -15.015 1.00 0.00 N ATOM 973 CA GLU A 64 -3.785 -10.104 -15.576 1.00 0.00 C ATOM 974 C GLU A 64 -4.728 -9.368 -14.641 1.00 0.00 C ATOM 975 O GLU A 64 -5.521 -8.528 -15.086 1.00 0.00 O ATOM 976 CB GLU A 64 -4.485 -11.393 -16.123 1.00 0.00 C ATOM 977 CG GLU A 64 -4.764 -12.556 -15.115 1.00 0.00 C ATOM 978 CD GLU A 64 -5.360 -13.858 -15.658 1.00 0.00 C ATOM 979 OE1 GLU A 64 -4.772 -14.575 -16.457 1.00 0.00 O ATOM 980 OE2 GLU A 64 -6.599 -14.139 -15.169 1.00 0.00 O ATOM 0 H GLU A 64 -2.485 -11.518 -14.744 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.559 -9.360 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.437 -11.096 -16.563 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.871 -11.790 -16.931 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.824 -12.801 -14.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.438 -12.176 -14.347 1.00 0.00 H new ATOM 987 N PRO A 65 -4.691 -9.639 -13.357 1.00 0.00 N ATOM 988 CA PRO A 65 -5.592 -9.173 -12.221 1.00 0.00 C ATOM 989 C PRO A 65 -6.041 -7.721 -12.227 1.00 0.00 C ATOM 990 O PRO A 65 -5.632 -6.856 -13.008 1.00 0.00 O ATOM 991 CB PRO A 65 -4.780 -9.409 -10.951 1.00 0.00 C ATOM 992 CG PRO A 65 -4.126 -10.770 -11.307 1.00 0.00 C ATOM 993 CD PRO A 65 -3.666 -10.566 -12.743 1.00 0.00 C ATOM 0 HA PRO A 65 -6.524 -9.730 -12.314 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -4.044 -8.625 -10.774 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.405 -9.466 -10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.291 -11.002 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.836 -11.593 -11.224 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.668 -10.129 -12.779 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.619 -11.513 -13.280 1.00 0.00 H new ATOM 1001 N SER A 66 -6.965 -7.441 -11.308 1.00 0.00 N ATOM 1002 CA SER A 66 -7.608 -6.139 -11.163 1.00 0.00 C ATOM 1003 C SER A 66 -7.797 -5.809 -9.699 1.00 0.00 C ATOM 1004 O SER A 66 -7.967 -6.724 -8.864 1.00 0.00 O ATOM 1005 CB SER A 66 -8.949 -6.095 -11.934 1.00 0.00 C ATOM 1006 OG SER A 66 -8.774 -6.012 -13.353 1.00 0.00 O ATOM 0 H SER A 66 -7.293 -8.129 -10.630 1.00 0.00 H new ATOM 0 HA SER A 66 -6.959 -5.379 -11.599 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.528 -6.987 -11.696 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.530 -5.238 -11.594 1.00 0.00 H new ATOM 0 HG SER A 66 -9.651 -5.989 -13.790 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.802 -4.544 -9.330 1.00 0.00 N ATOM 1013 CA TYR A 67 -7.824 -4.155 -7.919 1.00 0.00 C ATOM 1014 C TYR A 67 -8.590 -2.869 -7.684 1.00 0.00 C ATOM 1015 O TYR A 67 -8.074 -1.770 -7.912 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.376 -3.941 -7.390 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.445 -5.157 -7.431 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.466 -6.083 -6.383 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -4.578 -5.356 -8.510 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.614 -7.183 -6.404 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -3.692 -6.430 -8.503 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.716 -7.347 -7.456 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.861 -8.412 -7.465 1.00 0.00 O ATOM 0 H TYR A 67 -7.791 -3.760 -9.983 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.320 -4.968 -7.390 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.916 -3.140 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.438 -3.594 -6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.145 -5.944 -5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.596 -4.676 -9.349 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.649 -7.909 -5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.985 -6.552 -9.311 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.565 -8.602 -6.550 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.814 -2.997 -7.205 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.609 -1.845 -6.783 1.00 0.00 C ATOM 1035 C ASP A 68 -9.893 -1.090 -5.688 1.00 0.00 C ATOM 1036 O ASP A 68 -10.061 -1.389 -4.490 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.032 -2.293 -6.353 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.152 -1.250 -6.475 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -12.784 -0.018 -6.011 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.259 -1.510 -6.925 1.00 0.00 O ATOM 0 H ASP A 68 -10.288 -3.894 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.729 -1.164 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.310 -3.161 -6.950 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.986 -2.622 -5.315 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.070 -0.121 -6.038 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.191 0.537 -5.066 1.00 0.00 C ATOM 1047 C LEU A 69 -8.631 1.920 -4.629 1.00 0.00 C ATOM 1048 O LEU A 69 -7.720 2.735 -4.253 1.00 0.00 O ATOM 1049 CB LEU A 69 -6.742 0.598 -5.647 1.00 0.00 C ATOM 1050 CG LEU A 69 -5.985 -0.742 -5.837 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -4.949 -0.687 -6.971 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.304 -1.154 -4.521 1.00 0.00 C ATOM 0 H LEU A 69 -8.985 0.236 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.237 -0.071 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.789 1.097 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.144 1.231 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.727 -1.488 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.451 -1.653 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.450 -0.452 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.210 0.084 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.775 -2.096 -4.664 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.595 -0.382 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.058 -1.276 -3.744 1.00 0.00 H new ATOM 1064 N GLN A 70 -9.899 2.282 -4.598 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.290 3.543 -3.942 1.00 0.00 C ATOM 1066 C GLN A 70 -9.985 3.495 -2.451 1.00 0.00 C ATOM 1067 O GLN A 70 -10.210 4.419 -1.667 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.777 3.843 -4.213 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.806 2.667 -4.178 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.147 2.845 -4.911 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -14.847 1.888 -5.197 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.537 4.045 -5.259 1.00 0.00 N ATOM 0 H GLN A 70 -10.667 1.747 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.702 4.358 -4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.101 4.586 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.845 4.310 -5.195 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.316 1.785 -4.591 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.026 2.449 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.963 4.855 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.415 4.170 -5.762 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.468 2.355 -2.021 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.902 2.083 -0.706 1.00 0.00 C ATOM 1083 C ASN A 71 -7.499 2.639 -0.566 1.00 0.00 C ATOM 1084 O ASN A 71 -7.197 3.502 0.263 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.883 0.537 -0.473 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.030 -0.039 0.362 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -9.857 -0.770 1.325 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.256 0.251 0.007 1.00 0.00 N ATOM 0 H ASN A 71 -9.429 1.534 -2.625 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.524 2.575 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.887 0.045 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.942 0.276 0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.043 -0.132 0.531 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.425 0.860 -0.794 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.599 2.108 -1.378 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.163 2.367 -1.305 1.00 0.00 C ATOM 1097 C ALA A 72 -4.834 3.837 -1.165 1.00 0.00 C ATOM 1098 O ALA A 72 -5.613 4.745 -1.467 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.520 1.753 -2.566 1.00 0.00 C ATOM 0 H ALA A 72 -6.851 1.466 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.758 1.906 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.444 1.927 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.714 0.681 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.947 2.217 -3.455 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.612 4.098 -0.710 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.155 5.456 -0.432 1.00 0.00 C ATOM 1107 C ALA A 73 -2.251 5.964 -1.532 1.00 0.00 C ATOM 1108 O ALA A 73 -2.184 5.398 -2.629 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.466 5.442 0.944 1.00 0.00 C ATOM 0 H ALA A 73 -2.914 3.378 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.996 6.149 -0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.111 6.444 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.177 5.117 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.621 4.754 0.921 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.525 7.030 -1.252 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.711 7.722 -2.249 1.00 0.00 C ATOM 1117 C ILE A 74 0.689 7.956 -1.739 1.00 0.00 C ATOM 1118 O ILE A 74 0.887 8.311 -0.560 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.395 9.074 -2.711 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -2.768 8.882 -3.431 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.477 9.938 -3.630 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -3.642 10.142 -3.583 1.00 0.00 C ATOM 0 H ILE A 74 -1.479 7.447 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.638 7.078 -3.126 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.570 9.598 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.579 8.475 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.340 8.133 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.001 10.851 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.436 10.196 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.224 9.372 -4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.568 9.883 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.875 10.544 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.103 10.891 -4.162 1.00 0.00 H new ATOM 1134 N GLU A 75 1.693 7.772 -2.576 1.00 0.00 N ATOM 1135 CA GLU A 75 3.066 8.116 -2.209 1.00 0.00 C ATOM 1136 C GLU A 75 3.992 8.043 -3.400 1.00 0.00 C ATOM 1137 O GLU A 75 3.638 7.586 -4.492 1.00 0.00 O ATOM 1138 CB GLU A 75 3.532 7.150 -1.082 1.00 0.00 C ATOM 1139 CG GLU A 75 4.304 7.775 0.127 1.00 0.00 C ATOM 1140 CD GLU A 75 4.859 6.833 1.199 1.00 0.00 C ATOM 1141 OE1 GLU A 75 5.768 6.044 0.984 1.00 0.00 O ATOM 1142 OE2 GLU A 75 4.245 6.958 2.408 1.00 0.00 O ATOM 0 H GLU A 75 1.590 7.387 -3.515 1.00 0.00 H new ATOM 0 HA GLU A 75 3.096 9.145 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.652 6.638 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.170 6.389 -1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.138 8.351 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.635 8.481 0.619 1.00 0.00 H new ATOM 1149 N ILE A 76 5.207 8.523 -3.206 1.00 0.00 N ATOM 1150 CA ILE A 76 6.278 8.393 -4.187 1.00 0.00 C ATOM 1151 C ILE A 76 7.423 7.591 -3.605 1.00 0.00 C ATOM 1152 O ILE A 76 7.725 7.697 -2.406 1.00 0.00 O ATOM 1153 CB ILE A 76 6.744 9.805 -4.729 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.602 10.671 -5.350 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.899 9.703 -5.774 1.00 0.00 C ATOM 1156 CD1 ILE A 76 6.015 11.608 -6.505 1.00 0.00 C ATOM 0 H ILE A 76 5.484 9.018 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 76 5.896 7.847 -5.050 1.00 0.00 H new ATOM 0 HB ILE A 76 7.099 10.306 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.822 10.002 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.160 11.276 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.176 10.703 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.763 9.222 -5.316 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.566 9.113 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.142 12.158 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.769 12.311 -6.151 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.426 11.017 -7.324 1.00 0.00 H new ATOM 1168 N ALA A 77 8.052 6.768 -4.421 1.00 0.00 N ATOM 1169 CA ALA A 77 9.073 5.828 -3.962 1.00 0.00 C ATOM 1170 C ALA A 77 10.081 6.501 -3.058 1.00 0.00 C ATOM 1171 O ALA A 77 10.694 7.515 -3.407 1.00 0.00 O ATOM 1172 CB ALA A 77 9.724 5.202 -5.208 1.00 0.00 C ATOM 0 H ALA A 77 7.874 6.727 -5.424 1.00 0.00 H new ATOM 0 HA ALA A 77 8.622 5.042 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.493 4.494 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.965 4.682 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.176 5.986 -5.815 1.00 0.00 H new ATOM 1178 N SER A 78 10.251 5.960 -1.865 1.00 0.00 N ATOM 1179 CA SER A 78 11.250 6.462 -0.926 1.00 0.00 C ATOM 1180 C SER A 78 12.424 5.514 -0.831 1.00 0.00 C ATOM 1181 O SER A 78 12.911 5.177 0.253 1.00 0.00 O ATOM 1182 CB SER A 78 10.616 6.731 0.462 1.00 0.00 C ATOM 1183 OG SER A 78 11.021 7.983 1.026 1.00 0.00 O ATOM 0 H SER A 78 9.709 5.169 -1.518 1.00 0.00 H new ATOM 0 HA SER A 78 11.628 7.413 -1.302 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.530 6.714 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.890 5.926 1.143 1.00 0.00 H new ATOM 0 HG SER A 78 10.592 8.103 1.899 1.00 0.00 H new ATOM 1189 N ASP A 79 12.907 5.086 -1.985 1.00 0.00 N ATOM 1190 CA ASP A 79 14.030 4.156 -2.059 1.00 0.00 C ATOM 1191 C ASP A 79 14.378 3.846 -3.497 1.00 0.00 C ATOM 1192 O ASP A 79 13.957 2.833 -4.066 1.00 0.00 O ATOM 1193 CB ASP A 79 13.717 2.871 -1.249 1.00 0.00 C ATOM 1194 CG ASP A 79 12.362 2.201 -1.521 1.00 0.00 C ATOM 1195 OD1 ASP A 79 11.494 2.715 -2.212 1.00 0.00 O ATOM 1196 OD2 ASP A 79 12.233 0.990 -0.901 1.00 0.00 O ATOM 0 H ASP A 79 12.538 5.369 -2.893 1.00 0.00 H new ATOM 0 HA ASP A 79 14.906 4.625 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.503 2.143 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.770 3.115 -0.188 1.00 0.00 H new ATOM 1201 N TYR A 80 15.160 4.717 -4.106 1.00 0.00 N ATOM 1202 CA TYR A 80 15.455 4.624 -5.533 1.00 0.00 C ATOM 1203 C TYR A 80 16.883 5.017 -5.841 1.00 0.00 C ATOM 1204 O TYR A 80 17.610 5.606 -5.035 1.00 0.00 O ATOM 1205 CB TYR A 80 14.525 5.575 -6.348 1.00 0.00 C ATOM 1206 CG TYR A 80 14.287 6.961 -5.741 1.00 0.00 C ATOM 1207 CD1 TYR A 80 15.371 7.766 -5.370 1.00 0.00 C ATOM 1208 CD2 TYR A 80 12.984 7.430 -5.541 1.00 0.00 C ATOM 1209 CE1 TYR A 80 15.152 8.977 -4.717 1.00 0.00 C ATOM 1210 CE2 TYR A 80 12.768 8.641 -4.891 1.00 0.00 C ATOM 1211 CZ TYR A 80 13.853 9.387 -4.432 1.00 0.00 C ATOM 1212 OH TYR A 80 13.641 10.524 -3.705 1.00 0.00 O ATOM 0 H TYR A 80 15.607 5.504 -3.636 1.00 0.00 H new ATOM 0 HA TYR A 80 15.292 3.583 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 80 14.952 5.704 -7.343 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.560 5.085 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.379 7.447 -5.591 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.143 6.850 -5.892 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.989 9.597 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.761 9.003 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 80 12.678 10.668 -3.597 1.00 0.00 H new ATOM 1222 N THR A 81 17.316 4.661 -7.036 1.00 0.00 N ATOM 1223 CA THR A 81 18.595 5.087 -7.594 1.00 0.00 C ATOM 1224 C THR A 81 18.354 6.129 -8.669 1.00 0.00 C ATOM 1225 O THR A 81 18.909 7.232 -8.693 1.00 0.00 O ATOM 1226 CB THR A 81 19.388 3.859 -8.155 1.00 0.00 C ATOM 1227 OG1 THR A 81 20.026 3.152 -7.098 1.00 0.00 O ATOM 1228 CG2 THR A 81 20.524 4.174 -9.151 1.00 0.00 C ATOM 0 H THR A 81 16.782 4.057 -7.661 1.00 0.00 H new ATOM 0 HA THR A 81 19.203 5.534 -6.807 1.00 0.00 H new ATOM 0 HB THR A 81 18.613 3.297 -8.676 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.516 2.387 -7.465 1.00 0.00 H new ATOM 0 HG21 THR A 81 20.998 3.245 -9.468 1.00 0.00 H new ATOM 0 HG22 THR A 81 20.114 4.687 -10.021 1.00 0.00 H new ATOM 0 HG23 THR A 81 21.264 4.813 -8.669 1.00 0.00 H new ATOM 1236 N LYS A 82 17.468 5.777 -9.586 1.00 0.00 N ATOM 1237 CA LYS A 82 16.944 6.672 -10.610 1.00 0.00 C ATOM 1238 C LYS A 82 15.520 6.291 -10.965 1.00 0.00 C ATOM 1239 O LYS A 82 15.030 6.539 -12.073 1.00 0.00 O ATOM 1240 CB LYS A 82 17.895 6.651 -11.843 1.00 0.00 C ATOM 1241 CG LYS A 82 18.903 7.831 -11.842 1.00 0.00 C ATOM 1242 CD LYS A 82 20.377 7.428 -11.932 1.00 0.00 C ATOM 1243 CE LYS A 82 20.570 6.469 -13.115 1.00 0.00 C ATOM 1244 NZ LYS A 82 21.940 6.608 -13.639 1.00 0.00 N ATOM 0 H LYS A 82 17.081 4.835 -9.642 1.00 0.00 H new ATOM 0 HA LYS A 82 16.908 7.694 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 82 18.444 5.710 -11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.301 6.687 -12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.670 8.488 -12.680 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.757 8.412 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 82 21.000 8.313 -12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.692 6.948 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.393 5.442 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.845 6.690 -13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.073 5.959 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 22.093 7.586 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.623 6.377 -12.890 1.00 0.00 H new ATOM 1258 N LYS A 83 14.837 5.657 -10.032 1.00 0.00 N ATOM 1259 CA LYS A 83 13.406 5.375 -10.125 1.00 0.00 C ATOM 1260 C LYS A 83 12.576 6.469 -9.492 1.00 0.00 C ATOM 1261 O LYS A 83 11.353 6.372 -9.353 1.00 0.00 O ATOM 1262 CB LYS A 83 13.114 4.021 -9.423 1.00 0.00 C ATOM 1263 CG LYS A 83 13.976 2.854 -9.962 1.00 0.00 C ATOM 1264 CD LYS A 83 13.372 1.462 -9.770 1.00 0.00 C ATOM 1265 CE LYS A 83 13.745 0.581 -10.972 1.00 0.00 C ATOM 1266 NZ LYS A 83 15.187 0.283 -10.929 1.00 0.00 N ATOM 0 H LYS A 83 15.263 5.315 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 83 13.133 5.325 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.290 4.129 -8.353 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.060 3.774 -9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.152 3.014 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.948 2.883 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.743 1.015 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.288 1.532 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.170 -0.345 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.495 1.091 -11.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.421 -0.407 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.727 1.158 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.432 -0.112 -9.999 1.00 0.00 H new ATOM 1280 N LYS A 84 13.230 7.542 -9.060 1.00 0.00 N ATOM 1281 CA LYS A 84 12.544 8.747 -8.563 1.00 0.00 C ATOM 1282 C LYS A 84 11.706 9.497 -9.588 1.00 0.00 C ATOM 1283 O LYS A 84 11.130 10.555 -9.332 1.00 0.00 O ATOM 1284 CB LYS A 84 13.622 9.711 -7.983 1.00 0.00 C ATOM 1285 CG LYS A 84 13.109 10.655 -6.875 1.00 0.00 C ATOM 1286 CD LYS A 84 12.768 12.076 -7.337 1.00 0.00 C ATOM 1287 CE LYS A 84 13.915 13.022 -6.960 1.00 0.00 C ATOM 1288 NZ LYS A 84 13.447 14.417 -7.050 1.00 0.00 N ATOM 0 H LYS A 84 14.248 7.609 -9.041 1.00 0.00 H new ATOM 0 HA LYS A 84 11.832 8.403 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.445 9.117 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.028 10.313 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.220 10.213 -6.426 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.865 10.716 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.608 12.091 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.840 12.409 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.261 12.807 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.763 12.867 -7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.223 15.061 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.137 14.617 -8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.651 14.559 -6.396 1.00 0.00 H new ATOM 1302 N HIS A 85 11.625 8.912 -10.765 1.00 0.00 N ATOM 1303 CA HIS A 85 10.733 9.354 -11.829 1.00 0.00 C ATOM 1304 C HIS A 85 9.489 8.487 -11.843 1.00 0.00 C ATOM 1305 O HIS A 85 8.896 8.167 -12.877 1.00 0.00 O ATOM 1306 CB HIS A 85 11.531 9.213 -13.137 1.00 0.00 C ATOM 1307 CG HIS A 85 12.835 9.956 -13.089 1.00 0.00 C ATOM 1308 ND1 HIS A 85 13.949 9.498 -12.401 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 13.091 11.176 -13.716 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 14.958 10.412 -12.567 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 14.372 11.360 -13.348 1.00 0.00 N flip ATOM 0 H HIS A 85 12.187 8.099 -11.019 1.00 0.00 H new ATOM 0 HA HIS A 85 10.402 10.384 -11.692 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.723 8.158 -13.331 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.932 9.586 -13.968 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.008 8.632 -11.865 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.446 11.795 -14.322 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.964 10.386 -12.176 1.00 0.00 H new ATOM 1319 N VAL A 86 9.084 8.069 -10.651 1.00 0.00 N ATOM 1320 CA VAL A 86 8.006 7.104 -10.458 1.00 0.00 C ATOM 1321 C VAL A 86 6.996 7.595 -9.441 1.00 0.00 C ATOM 1322 O VAL A 86 7.168 8.624 -8.778 1.00 0.00 O ATOM 1323 CB VAL A 86 8.611 5.715 -10.010 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.880 5.545 -8.486 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.756 4.489 -10.413 1.00 0.00 C ATOM 0 H VAL A 86 9.500 8.394 -9.778 1.00 0.00 H new ATOM 0 HA VAL A 86 7.482 6.982 -11.406 1.00 0.00 H new ATOM 0 HB VAL A 86 9.557 5.742 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.294 4.554 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.589 6.304 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.945 5.658 -7.937 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.242 3.577 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.769 4.568 -9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.654 4.457 -11.498 1.00 0.00 H new ATOM 1335 N LEU A 87 5.916 6.850 -9.310 1.00 0.00 N ATOM 1336 CA LEU A 87 4.774 7.239 -8.488 1.00 0.00 C ATOM 1337 C LEU A 87 3.936 6.032 -8.141 1.00 0.00 C ATOM 1338 O LEU A 87 3.817 5.115 -8.999 1.00 0.00 O ATOM 1339 CB LEU A 87 3.924 8.310 -9.230 1.00 0.00 C ATOM 1340 CG LEU A 87 3.953 8.262 -10.791 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.724 8.975 -11.363 1.00 0.00 C ATOM 1342 CD2 LEU A 87 5.235 8.875 -11.376 1.00 0.00 C ATOM 0 H LEU A 87 5.800 5.949 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 87 5.141 7.672 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.889 8.210 -8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.264 9.296 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 87 3.937 7.211 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.754 8.936 -12.452 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.819 8.482 -11.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.723 10.015 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.203 8.816 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.311 9.919 -11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.102 8.326 -11.008 1.00 0.00 H new ATOM 1354 N ARG A 88 3.321 5.948 -6.978 1.00 0.00 N ATOM 1355 CA ARG A 88 2.635 4.713 -6.575 1.00 0.00 C ATOM 1356 C ARG A 88 1.552 4.943 -5.546 1.00 0.00 C ATOM 1357 O ARG A 88 1.596 5.859 -4.719 1.00 0.00 O ATOM 1358 CB ARG A 88 3.704 3.723 -6.036 1.00 0.00 C ATOM 1359 CG ARG A 88 3.975 3.826 -4.510 1.00 0.00 C ATOM 1360 CD ARG A 88 5.348 3.265 -4.119 1.00 0.00 C ATOM 1361 NE ARG A 88 5.674 3.731 -2.747 1.00 0.00 N ATOM 1362 CZ ARG A 88 5.128 3.276 -1.628 1.00 0.00 C ATOM 1363 NH1 ARG A 88 4.214 2.351 -1.581 1.00 0.00 N ATOM 1364 NH2 ARG A 88 5.532 3.787 -0.519 1.00 0.00 N ATOM 0 H ARG A 88 3.276 6.704 -6.295 1.00 0.00 H new ATOM 0 HA ARG A 88 2.127 4.301 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.387 2.706 -6.267 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.639 3.894 -6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.911 4.870 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.198 3.286 -3.969 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.337 2.176 -4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.109 3.600 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 88 6.378 4.464 -2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.873 1.927 -2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.839 2.050 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.247 4.514 -0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.137 3.465 0.365 1.00 0.00 H new ATOM 1378 N VAL A 89 0.538 4.089 -5.599 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.508 4.071 -4.578 1.00 0.00 C ATOM 1380 C VAL A 89 -0.365 2.846 -3.703 1.00 0.00 C ATOM 1381 O VAL A 89 -0.475 1.703 -4.165 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.944 4.118 -5.236 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -2.048 3.607 -6.701 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -3.019 3.336 -4.439 1.00 0.00 C ATOM 0 H VAL A 89 0.415 3.397 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.394 4.960 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.129 5.192 -5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.080 3.688 -7.042 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.405 4.209 -7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.732 2.565 -6.746 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.979 3.413 -4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.729 2.288 -4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.107 3.757 -3.437 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.091 3.059 -2.429 1.00 0.00 N ATOM 1395 CA LYS A 90 0.216 1.958 -1.517 1.00 0.00 C ATOM 1396 C LYS A 90 -1.040 1.267 -1.039 1.00 0.00 C ATOM 1397 O LYS A 90 -2.157 1.780 -1.149 1.00 0.00 O ATOM 1398 CB LYS A 90 1.039 2.488 -0.311 1.00 0.00 C ATOM 1399 CG LYS A 90 0.438 3.728 0.394 1.00 0.00 C ATOM 1400 CD LYS A 90 1.312 4.316 1.507 1.00 0.00 C ATOM 1401 CE LYS A 90 1.138 3.482 2.782 1.00 0.00 C ATOM 1402 NZ LYS A 90 0.259 4.201 3.721 1.00 0.00 N ATOM 0 H LYS A 90 -0.073 3.983 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 90 0.808 1.221 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.141 1.686 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.043 2.735 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.255 4.501 -0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.530 3.456 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.358 4.319 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.032 5.352 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.710 2.510 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.108 3.297 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.140 3.637 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.685 5.119 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.669 4.356 3.278 1.00 0.00 H new ATOM 1416 N LEU A 91 -0.861 0.086 -0.472 1.00 0.00 N ATOM 1417 CA LEU A 91 -1.962 -0.689 0.092 1.00 0.00 C ATOM 1418 C LEU A 91 -1.692 -1.043 1.535 1.00 0.00 C ATOM 1419 O LEU A 91 -0.570 -0.904 2.040 1.00 0.00 O ATOM 1420 CB LEU A 91 -2.217 -1.968 -0.755 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.326 -1.926 -1.841 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -3.813 -3.329 -2.243 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.515 -1.089 -1.346 1.00 0.00 C ATOM 0 H LEU A 91 0.050 -0.366 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.861 -0.074 0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.281 -2.233 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.456 -2.779 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.887 -1.467 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.588 -3.241 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.977 -3.904 -2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.220 -3.837 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.288 -1.065 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.920 -1.534 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.182 -0.073 -1.135 1.00 0.00 H new ATOM 1435 N ALA A 92 -2.708 -1.528 2.223 1.00 0.00 N ATOM 1436 CA ALA A 92 -2.549 -2.027 3.586 1.00 0.00 C ATOM 1437 C ALA A 92 -1.925 -3.402 3.591 1.00 0.00 C ATOM 1438 O ALA A 92 -1.145 -3.763 4.481 1.00 0.00 O ATOM 1439 CB ALA A 92 -3.935 -1.999 4.257 1.00 0.00 C ATOM 0 H ALA A 92 -3.660 -1.589 1.862 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.866 -1.395 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.852 -2.367 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.313 -0.977 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.623 -2.634 3.698 1.00 0.00 H new ATOM 1445 N ASN A 93 -2.274 -4.204 2.602 1.00 0.00 N ATOM 1446 CA ASN A 93 -1.809 -5.588 2.534 1.00 0.00 C ATOM 1447 C ASN A 93 -0.306 -5.653 2.412 1.00 0.00 C ATOM 1448 O ASN A 93 0.335 -6.641 2.801 1.00 0.00 O ATOM 1449 CB ASN A 93 -2.490 -6.307 1.331 1.00 0.00 C ATOM 1450 CG ASN A 93 -1.723 -6.324 0.005 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -1.984 -5.403 -0.882 1.00 0.00 O flip ATOM 1452 ND2 ASN A 93 -0.892 -7.181 -0.259 1.00 0.00 N flip ATOM 0 H ASN A 93 -2.879 -3.925 1.830 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.085 -6.095 3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.688 -7.339 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.457 -5.834 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.675 -7.908 0.422 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.415 -7.168 -1.161 1.00 0.00 H new ATOM 1459 N GLY A 94 0.292 -4.618 1.853 1.00 0.00 N ATOM 1460 CA GLY A 94 1.748 -4.508 1.785 1.00 0.00 C ATOM 1461 C GLY A 94 2.188 -4.087 0.402 1.00 0.00 C ATOM 1462 O GLY A 94 3.105 -3.278 0.225 1.00 0.00 O ATOM 0 H GLY A 94 -0.207 -3.833 1.435 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.098 -3.783 2.520 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.202 -5.465 2.041 1.00 0.00 H new ATOM 1466 N ALA A 95 1.517 -4.619 -0.602 1.00 0.00 N ATOM 1467 CA ALA A 95 1.899 -4.418 -1.996 1.00 0.00 C ATOM 1468 C ALA A 95 1.545 -3.024 -2.460 1.00 0.00 C ATOM 1469 O ALA A 95 0.985 -2.211 -1.711 1.00 0.00 O ATOM 1470 CB ALA A 95 1.215 -5.520 -2.825 1.00 0.00 C ATOM 0 H ALA A 95 0.690 -5.204 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 95 2.979 -4.497 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.479 -5.401 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.548 -6.497 -2.476 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.134 -5.443 -2.711 1.00 0.00 H new ATOM 1476 N LEU A 96 1.878 -2.706 -3.698 1.00 0.00 N ATOM 1477 CA LEU A 96 1.720 -1.345 -4.210 1.00 0.00 C ATOM 1478 C LEU A 96 1.495 -1.343 -5.703 1.00 0.00 C ATOM 1479 O LEU A 96 1.518 -2.390 -6.365 1.00 0.00 O ATOM 1480 CB LEU A 96 2.958 -0.481 -3.835 1.00 0.00 C ATOM 1481 CG LEU A 96 4.078 -1.135 -2.980 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.765 -2.254 -3.776 1.00 0.00 C ATOM 1483 CD2 LEU A 96 5.132 -0.124 -2.500 1.00 0.00 C ATOM 0 H LEU A 96 2.261 -3.368 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 96 0.837 -0.908 -3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.410 -0.127 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.600 0.398 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 96 3.595 -1.545 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.548 -2.705 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.031 -3.014 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.204 -1.838 -4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.888 -0.640 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.605 0.346 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.652 0.640 -1.889 1.00 0.00 H new ATOM 1495 N PHE A 97 1.248 -0.173 -6.269 1.00 0.00 N ATOM 1496 CA PHE A 97 1.157 -0.033 -7.723 1.00 0.00 C ATOM 1497 C PHE A 97 1.946 1.168 -8.197 1.00 0.00 C ATOM 1498 O PHE A 97 1.440 2.296 -8.241 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.329 0.128 -8.172 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.311 -0.885 -7.562 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.787 -0.731 -6.258 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -1.680 -2.015 -8.302 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.589 -1.715 -5.687 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.479 -2.998 -7.728 1.00 0.00 C ATOM 1505 CZ PHE A 97 -2.956 -2.835 -6.431 1.00 0.00 C ATOM 0 H PHE A 97 1.107 0.694 -5.751 1.00 0.00 H new ATOM 0 HA PHE A 97 1.573 -0.938 -8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.663 1.133 -7.915 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.375 0.045 -9.258 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.532 0.153 -5.692 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.343 -2.124 -9.322 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.927 -1.611 -4.667 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.729 -3.887 -8.288 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.612 -3.577 -6.000 1.00 0.00 H new ATOM 1515 N LEU A 98 3.197 0.947 -8.560 1.00 0.00 N ATOM 1516 CA LEU A 98 4.094 2.011 -9.008 1.00 0.00 C ATOM 1517 C LEU A 98 3.810 2.389 -10.442 1.00 0.00 C ATOM 1518 O LEU A 98 3.130 1.654 -11.178 1.00 0.00 O ATOM 1519 CB LEU A 98 5.585 1.592 -8.841 1.00 0.00 C ATOM 1520 CG LEU A 98 6.114 1.268 -7.416 1.00 0.00 C ATOM 1521 CD1 LEU A 98 6.830 2.493 -6.830 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.012 0.800 -6.453 1.00 0.00 C ATOM 0 H LEU A 98 3.626 0.022 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 98 3.912 2.884 -8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.753 0.713 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.201 2.394 -9.248 1.00 0.00 H new ATOM 0 HG LEU A 98 6.813 0.438 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.197 2.257 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.669 2.765 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.133 3.329 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.448 0.590 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.259 1.582 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.547 -0.105 -6.845 1.00 0.00 H new ATOM 1534 N LEU A 99 4.288 3.543 -10.879 1.00 0.00 N ATOM 1535 CA LEU A 99 4.172 3.937 -12.282 1.00 0.00 C ATOM 1536 C LEU A 99 5.491 4.456 -12.805 1.00 0.00 C ATOM 1537 O LEU A 99 5.981 5.492 -12.282 1.00 0.00 O ATOM 1538 CB LEU A 99 3.057 5.013 -12.483 1.00 0.00 C ATOM 1539 CG LEU A 99 1.946 5.202 -11.411 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.713 5.940 -11.979 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.494 3.882 -10.783 1.00 0.00 C ATOM 0 H LEU A 99 4.760 4.226 -10.286 1.00 0.00 H new ATOM 0 HA LEU A 99 3.894 3.048 -12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.555 5.975 -12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.560 4.790 -13.427 1.00 0.00 H new ATOM 0 HG LEU A 99 2.403 5.812 -10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.038 6.050 -11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.012 6.925 -12.337 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.294 5.366 -12.805 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.718 4.078 -10.043 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.098 3.227 -11.559 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.343 3.400 -10.299 1.00 0.00 H new ATOM 1553 N GLN A 100 6.098 3.852 -13.807 1.00 0.00 N ATOM 1554 CA GLN A 100 7.291 4.429 -14.434 1.00 0.00 C ATOM 1555 C GLN A 100 7.048 4.845 -15.868 1.00 0.00 C ATOM 1556 O GLN A 100 7.702 4.368 -16.806 1.00 0.00 O ATOM 1557 CB GLN A 100 8.444 3.402 -14.355 1.00 0.00 C ATOM 1558 CG GLN A 100 9.876 4.055 -14.197 1.00 0.00 C ATOM 1559 CD GLN A 100 10.773 3.565 -13.058 1.00 0.00 C ATOM 1560 OE1 GLN A 100 11.321 4.407 -12.221 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 10.976 2.365 -12.898 1.00 0.00 N flip ATOM 0 H GLN A 100 5.794 2.966 -14.210 1.00 0.00 H new ATOM 0 HA GLN A 100 7.556 5.336 -13.890 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.265 2.734 -13.512 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.433 2.788 -15.256 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.415 3.906 -15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.740 5.130 -14.075 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.560 1.688 -13.537 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.561 2.045 -12.126 1.00 0.00 H new ATOM 1570 N ALA A 101 6.135 5.780 -16.060 1.00 0.00 N ATOM 1571 CA ALA A 101 5.889 6.355 -17.381 1.00 0.00 C ATOM 1572 C ALA A 101 6.935 7.394 -17.722 1.00 0.00 C ATOM 1573 O ALA A 101 6.949 8.511 -17.196 1.00 0.00 O ATOM 1574 CB ALA A 101 4.457 6.917 -17.389 1.00 0.00 C ATOM 0 H ALA A 101 5.547 6.162 -15.319 1.00 0.00 H new ATOM 0 HA ALA A 101 5.971 5.595 -18.158 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.243 7.354 -18.364 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.749 6.113 -17.189 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.363 7.683 -16.619 1.00 0.00 H new ATOM 1580 N HIS A 102 7.842 7.013 -18.600 1.00 0.00 N ATOM 1581 CA HIS A 102 9.011 7.827 -18.922 1.00 0.00 C ATOM 1582 C HIS A 102 8.753 8.775 -20.067 1.00 0.00 C ATOM 1583 O HIS A 102 9.638 8.990 -20.923 1.00 0.00 O ATOM 1584 CB HIS A 102 10.119 6.829 -19.313 1.00 0.00 C ATOM 1585 CG HIS A 102 11.466 7.478 -19.427 1.00 0.00 C ATOM 1586 ND1 HIS A 102 12.174 8.072 -18.384 1.00 0.00 N ATOM 1587 CD2 HIS A 102 12.166 7.551 -20.622 1.00 0.00 C ATOM 1588 CE1 HIS A 102 13.278 8.462 -19.049 1.00 0.00 C ATOM 1589 NE2 HIS A 102 13.353 8.195 -20.380 1.00 0.00 N ATOM 0 H HIS A 102 7.795 6.133 -19.113 1.00 0.00 H new ATOM 0 HA HIS A 102 9.283 8.448 -18.069 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.165 6.033 -18.569 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.863 6.362 -20.264 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.835 7.168 -21.576 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.082 8.973 -18.539 1.00 0.00 H new ATOM 0 HE2 HIS A 102 14.103 8.418 -21.034 1.00 0.00 H new ATOM 1597 N ASP A 103 7.572 9.353 -20.154 1.00 0.00 N ATOM 1598 CA ASP A 103 7.300 10.403 -21.131 1.00 0.00 C ATOM 1599 C ASP A 103 7.675 11.762 -20.581 1.00 0.00 C ATOM 1600 O ASP A 103 7.927 12.714 -21.329 1.00 0.00 O ATOM 1601 CB ASP A 103 5.818 10.349 -21.581 1.00 0.00 C ATOM 1602 CG ASP A 103 5.533 9.705 -22.946 1.00 0.00 C ATOM 1603 OD1 ASP A 103 5.440 8.343 -22.879 1.00 0.00 O ATOM 1604 OD2 ASP A 103 5.387 10.353 -23.971 1.00 0.00 O ATOM 0 H ASP A 103 6.778 9.116 -19.559 1.00 0.00 H new ATOM 0 HA ASP A 103 7.919 10.232 -22.012 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.252 9.806 -20.824 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.431 11.368 -21.598 1.00 0.00 H new ATOM 1609 N ASP A 104 7.689 11.883 -19.269 1.00 0.00 N ATOM 1610 CA ASP A 104 7.868 13.138 -18.535 1.00 0.00 C ATOM 1611 C ASP A 104 6.523 13.778 -18.284 1.00 0.00 C ATOM 1612 O ASP A 104 6.228 14.275 -17.192 1.00 0.00 O ATOM 1613 CB ASP A 104 8.836 14.122 -19.249 1.00 0.00 C ATOM 1614 CG ASP A 104 10.179 13.562 -19.733 1.00 0.00 C ATOM 1615 OD1 ASP A 104 10.356 12.244 -19.407 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.992 14.224 -20.362 1.00 0.00 O ATOM 0 H ASP A 104 7.572 11.080 -18.651 1.00 0.00 H new ATOM 0 HA ASP A 104 8.336 12.898 -17.581 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.316 14.541 -20.110 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.041 14.947 -18.567 1.00 0.00 H new ATOM 1621 N THR A 105 5.680 13.766 -19.301 1.00 0.00 N ATOM 1622 CA THR A 105 4.294 14.201 -19.138 1.00 0.00 C ATOM 1623 C THR A 105 3.551 13.156 -18.329 1.00 0.00 C ATOM 1624 O THR A 105 2.907 13.443 -17.317 1.00 0.00 O ATOM 1625 CB THR A 105 3.604 14.454 -20.521 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.443 15.240 -21.358 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.265 15.219 -20.489 1.00 0.00 C ATOM 0 H THR A 105 5.923 13.463 -20.244 1.00 0.00 H new ATOM 0 HA THR A 105 4.274 15.152 -18.607 1.00 0.00 H new ATOM 0 HB THR A 105 3.419 13.442 -20.881 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.999 15.388 -22.219 1.00 0.00 H new ATOM 0 HG21 THR A 105 1.886 15.332 -21.505 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.542 14.663 -19.892 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.419 16.204 -20.048 1.00 0.00 H new ATOM 1635 N GLU A 106 3.677 11.919 -18.771 1.00 0.00 N ATOM 1636 CA GLU A 106 3.170 10.761 -18.045 1.00 0.00 C ATOM 1637 C GLU A 106 3.458 10.813 -16.562 1.00 0.00 C ATOM 1638 O GLU A 106 2.579 10.478 -15.748 1.00 0.00 O ATOM 1639 CB GLU A 106 3.839 9.488 -18.642 1.00 0.00 C ATOM 1640 CG GLU A 106 2.968 8.528 -19.514 1.00 0.00 C ATOM 1641 CD GLU A 106 1.539 8.160 -19.108 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.843 8.830 -18.359 1.00 0.00 O ATOM 1643 OE2 GLU A 106 1.101 6.994 -19.676 1.00 0.00 O ATOM 0 H GLU A 106 4.137 11.684 -19.650 1.00 0.00 H new ATOM 0 HA GLU A 106 2.086 10.748 -18.157 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.685 9.811 -19.249 1.00 0.00 H new ATOM 0 HB3 GLU A 106 4.245 8.907 -17.814 1.00 0.00 H new ATOM 0 HG2 GLU A 106 2.912 8.967 -20.510 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.522 7.594 -19.608 1.00 0.00 H new ATOM 1650 N MET A 107 4.662 11.190 -16.180 1.00 0.00 N ATOM 1651 CA MET A 107 5.065 11.073 -14.774 1.00 0.00 C ATOM 1652 C MET A 107 4.072 11.748 -13.860 1.00 0.00 C ATOM 1653 O MET A 107 3.448 11.121 -12.989 1.00 0.00 O ATOM 1654 CB MET A 107 6.487 11.665 -14.574 1.00 0.00 C ATOM 1655 CG MET A 107 6.880 12.004 -13.119 1.00 0.00 C ATOM 1656 SD MET A 107 7.965 13.441 -13.100 1.00 0.00 S ATOM 1657 CE MET A 107 7.434 14.155 -11.539 1.00 0.00 C ATOM 0 H MET A 107 5.373 11.574 -16.802 1.00 0.00 H new ATOM 0 HA MET A 107 5.085 10.015 -14.513 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.214 10.955 -14.970 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.569 12.572 -15.172 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.986 12.204 -12.528 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.381 11.152 -12.660 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.998 15.067 -11.346 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.371 14.389 -11.589 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.611 13.442 -10.734 1.00 0.00 H new ATOM 1667 N SER A 108 3.881 13.039 -14.057 1.00 0.00 N ATOM 1668 CA SER A 108 2.873 13.783 -13.307 1.00 0.00 C ATOM 1669 C SER A 108 1.479 13.306 -13.650 1.00 0.00 C ATOM 1670 O SER A 108 0.737 12.834 -12.779 1.00 0.00 O ATOM 1671 CB SER A 108 3.022 15.306 -13.539 1.00 0.00 C ATOM 1672 OG SER A 108 3.639 15.983 -12.438 1.00 0.00 O ATOM 0 H SER A 108 4.407 13.598 -14.728 1.00 0.00 H new ATOM 0 HA SER A 108 3.034 13.593 -12.246 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.613 15.474 -14.439 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.038 15.738 -13.719 1.00 0.00 H new ATOM 0 HG SER A 108 3.709 16.939 -12.640 1.00 0.00 H new ATOM 1678 N GLN A 109 1.088 13.386 -14.909 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.262 13.052 -15.366 1.00 0.00 C ATOM 1680 C GLN A 109 -0.725 11.721 -14.821 1.00 0.00 C ATOM 1681 O GLN A 109 -1.931 11.466 -14.675 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.256 13.037 -16.910 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.700 14.359 -17.617 1.00 0.00 C ATOM 1684 CD GLN A 109 -0.085 15.690 -17.164 1.00 0.00 C ATOM 1685 OE1 GLN A 109 0.298 15.847 -16.017 1.00 0.00 O ATOM 1686 NE2 GLN A 109 0.057 16.670 -18.019 1.00 0.00 N ATOM 0 H GLN A 109 1.706 13.690 -15.661 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.962 13.801 -14.996 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.751 12.791 -17.246 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.910 12.233 -17.247 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.494 14.247 -18.682 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.781 14.443 -17.508 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.258 16.556 -18.982 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.483 17.548 -17.722 1.00 0.00 H new ATOM 1695 N TRP A 110 0.207 10.834 -14.531 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.106 9.573 -13.865 1.00 0.00 C ATOM 1697 C TRP A 110 -0.467 9.815 -12.418 1.00 0.00 C ATOM 1698 O TRP A 110 -1.532 9.416 -11.944 1.00 0.00 O ATOM 1699 CB TRP A 110 1.118 8.617 -13.931 1.00 0.00 C ATOM 1700 CG TRP A 110 1.044 7.582 -15.060 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.882 7.464 -16.184 1.00 0.00 C ATOM 1702 CD2 TRP A 110 0.145 6.527 -15.143 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.535 6.347 -16.972 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.457 5.785 -16.307 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -0.951 6.157 -14.313 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.310 4.647 -16.639 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.655 4.998 -14.634 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.367 4.276 -15.802 1.00 0.00 C ATOM 0 H TRP A 110 1.196 10.960 -14.746 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.955 9.118 -14.376 1.00 0.00 H new ATOM 0 HB2 TRP A 110 2.023 9.211 -14.056 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.209 8.094 -12.979 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.689 8.143 -16.414 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.976 6.026 -17.834 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.229 6.757 -13.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.084 4.072 -17.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.435 4.650 -13.973 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.972 3.419 -16.059 1.00 0.00 H new ATOM 1719 N VAL A 111 0.446 10.452 -11.708 1.00 0.00 N ATOM 1720 CA VAL A 111 0.288 10.713 -10.281 1.00 0.00 C ATOM 1721 C VAL A 111 -0.976 11.497 -9.993 1.00 0.00 C ATOM 1722 O VAL A 111 -1.630 11.373 -8.955 1.00 0.00 O ATOM 1723 CB VAL A 111 1.555 11.486 -9.736 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.429 13.028 -9.608 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.027 11.007 -8.340 1.00 0.00 C ATOM 0 H VAL A 111 1.319 10.805 -12.100 1.00 0.00 H new ATOM 0 HA VAL A 111 0.201 9.755 -9.768 1.00 0.00 H new ATOM 0 HB VAL A 111 2.268 11.245 -10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.363 13.439 -9.224 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.219 13.458 -10.587 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.617 13.271 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.900 11.584 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.225 11.150 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.289 9.950 -8.387 1.00 0.00 H new ATOM 1735 N THR A 112 -1.331 12.364 -10.935 1.00 0.00 N ATOM 1736 CA THR A 112 -2.534 13.190 -10.872 1.00 0.00 C ATOM 1737 C THR A 112 -3.768 12.355 -11.122 1.00 0.00 C ATOM 1738 O THR A 112 -4.818 12.563 -10.483 1.00 0.00 O ATOM 1739 CB THR A 112 -2.442 14.384 -11.887 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.479 14.127 -12.898 1.00 0.00 O ATOM 1741 CG2 THR A 112 -2.014 15.747 -11.296 1.00 0.00 C ATOM 0 H THR A 112 -0.781 12.516 -11.780 1.00 0.00 H new ATOM 0 HA THR A 112 -2.611 13.609 -9.869 1.00 0.00 H new ATOM 0 HB THR A 112 -3.468 14.453 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 112 -1.092 14.974 -13.204 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.985 16.494 -12.089 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.730 16.054 -10.534 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.024 15.655 -10.848 1.00 0.00 H new ATOM 1749 N SER A 113 -3.700 11.406 -12.035 1.00 0.00 N ATOM 1750 CA SER A 113 -4.786 10.449 -12.230 1.00 0.00 C ATOM 1751 C SER A 113 -4.930 9.559 -11.012 1.00 0.00 C ATOM 1752 O SER A 113 -6.019 9.159 -10.587 1.00 0.00 O ATOM 1753 CB SER A 113 -4.572 9.639 -13.535 1.00 0.00 C ATOM 1754 OG SER A 113 -5.757 9.553 -14.333 1.00 0.00 O ATOM 0 H SER A 113 -2.904 11.272 -12.658 1.00 0.00 H new ATOM 0 HA SER A 113 -5.725 10.991 -12.344 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.778 10.104 -14.120 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.235 8.634 -13.282 1.00 0.00 H new ATOM 0 HG SER A 113 -6.524 9.348 -13.758 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.797 9.254 -10.400 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.714 8.455 -9.181 1.00 0.00 C ATOM 1762 C LEU A 114 -4.258 9.219 -7.998 1.00 0.00 C ATOM 1763 O LEU A 114 -5.005 8.689 -7.167 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.243 8.002 -8.938 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.615 7.000 -9.943 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.634 6.023 -9.270 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.727 6.201 -10.644 1.00 0.00 C ATOM 0 H LEU A 114 -2.887 9.561 -10.743 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.330 7.564 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.617 8.894 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.190 7.556 -7.945 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.050 7.586 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.224 5.345 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.177 6.584 -8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.159 5.447 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.282 5.499 -11.349 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.304 5.652 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.384 6.886 -11.180 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.914 10.492 -7.908 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.339 11.323 -6.784 1.00 0.00 C ATOM 1781 C LYS A 115 -5.843 11.452 -6.748 1.00 0.00 C ATOM 1782 O LYS A 115 -6.464 11.554 -5.682 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.666 12.721 -6.883 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.108 13.692 -5.758 1.00 0.00 C ATOM 1785 CD LYS A 115 -3.079 13.910 -4.646 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.809 14.216 -3.332 1.00 0.00 C ATOM 1787 NZ LYS A 115 -2.939 13.868 -2.195 1.00 0.00 N ATOM 0 H LYS A 115 -3.341 10.977 -8.598 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.026 10.846 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.583 12.600 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.903 13.164 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -4.346 14.657 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.027 13.312 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.457 13.022 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.414 14.734 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.076 15.272 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.739 13.649 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.433 14.075 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.705 12.855 -2.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.064 14.428 -2.244 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.456 11.471 -7.917 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.901 11.643 -8.029 1.00 0.00 C ATOM 1803 C ALA A 116 -8.634 10.369 -7.677 1.00 0.00 C ATOM 1804 O ALA A 116 -9.766 10.395 -7.170 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.201 12.125 -9.460 1.00 0.00 C ATOM 0 H ALA A 116 -5.976 11.369 -8.811 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.257 12.387 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.275 12.264 -9.579 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.690 13.071 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.850 11.381 -10.175 1.00 0.00 H new ATOM 1811 N GLN A 117 -8.023 9.232 -7.952 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.666 7.940 -7.713 1.00 0.00 C ATOM 1813 C GLN A 117 -8.372 7.430 -6.320 1.00 0.00 C ATOM 1814 O GLN A 117 -9.274 7.111 -5.539 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.176 6.934 -8.777 1.00 0.00 C ATOM 1816 CG GLN A 117 -9.093 6.771 -10.034 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.431 8.008 -10.876 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -8.527 8.524 -11.669 1.00 0.00 O flip ATOM 1819 NE2 GLN A 117 -10.527 8.540 -10.806 1.00 0.00 N flip ATOM 0 H GLN A 117 -7.082 9.170 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.747 8.060 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.185 7.241 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -8.064 5.959 -8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.620 6.044 -10.694 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.034 6.334 -9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -11.244 8.152 -10.193 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.726 9.373 -11.360 1.00 0.00 H new ATOM 1828 N SER A 118 -7.094 7.327 -6.008 1.00 0.00 N ATOM 1829 CA SER A 118 -6.635 6.855 -4.707 1.00 0.00 C ATOM 1830 C SER A 118 -7.358 7.585 -3.599 1.00 0.00 C ATOM 1831 O SER A 118 -7.853 8.719 -3.818 1.00 0.00 O ATOM 1832 CB SER A 118 -5.102 7.020 -4.542 1.00 0.00 C ATOM 1833 OG SER A 118 -4.494 5.906 -3.880 1.00 0.00 O ATOM 0 H SER A 118 -6.339 7.568 -6.650 1.00 0.00 H new ATOM 0 HA SER A 118 -6.863 5.791 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.647 7.146 -5.524 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.897 7.929 -3.977 1.00 0.00 H new ATOM 0 HG SER A 118 -3.567 6.127 -3.653 1.00 0.00 H new ATOM 1839 N ASP A 119 -7.488 7.020 -2.415 1.00 0.00 N ATOM 1840 CA ASP A 119 -8.006 7.749 -1.257 1.00 0.00 C ATOM 1841 C ASP A 119 -7.166 7.467 -0.033 1.00 0.00 C ATOM 1842 O ASP A 119 -7.173 6.352 0.511 1.00 0.00 O ATOM 1843 CB ASP A 119 -9.503 7.421 -1.017 1.00 0.00 C ATOM 1844 CG ASP A 119 -10.242 8.287 0.013 1.00 0.00 C ATOM 1845 OD1 ASP A 119 -9.686 8.790 0.980 1.00 0.00 O ATOM 1846 OD2 ASP A 119 -11.567 8.451 -0.281 1.00 0.00 O ATOM 0 H ASP A 119 -7.241 6.049 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 119 -7.940 8.817 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.026 7.504 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -9.577 6.380 -0.702 1.00 0.00 H new ATOM 1851 N SER A 120 -6.444 8.464 0.443 1.00 0.00 N ATOM 1852 CA SER A 120 -5.485 8.275 1.531 1.00 0.00 C ATOM 1853 C SER A 120 -5.898 9.026 2.778 1.00 0.00 C ATOM 1854 O SER A 120 -6.339 10.178 2.734 1.00 0.00 O ATOM 1855 CB SER A 120 -4.059 8.676 1.080 1.00 0.00 C ATOM 1856 OG SER A 120 -3.060 8.369 2.059 1.00 0.00 O ATOM 0 H SER A 120 -6.500 9.421 0.095 1.00 0.00 H new ATOM 0 HA SER A 120 -5.476 7.215 1.784 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.819 8.162 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 120 -4.037 9.745 0.868 1.00 0.00 H new ATOM 0 HG SER A 120 -2.180 8.640 1.724 1.00 0.00 H new ATOM 1862 N THR A 121 -5.731 8.374 3.916 1.00 0.00 N ATOM 1863 CA THR A 121 -6.125 8.918 5.212 1.00 0.00 C ATOM 1864 C THR A 121 -7.627 9.066 5.302 1.00 0.00 C ATOM 1865 O THR A 121 -8.325 9.399 4.339 1.00 0.00 O ATOM 1866 CB THR A 121 -5.412 10.289 5.481 1.00 0.00 C ATOM 1867 OG1 THR A 121 -6.257 11.376 5.126 1.00 0.00 O ATOM 1868 CG2 THR A 121 -4.105 10.544 4.700 1.00 0.00 C ATOM 0 H THR A 121 -5.315 7.444 3.971 1.00 0.00 H new ATOM 0 HA THR A 121 -5.809 8.215 5.983 1.00 0.00 H new ATOM 0 HB THR A 121 -5.180 10.225 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 121 -6.522 11.291 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.705 11.522 4.969 1.00 0.00 H new ATOM 0 HG22 THR A 121 -3.376 9.773 4.949 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.310 10.518 3.630 1.00 0.00 H new ATOM 1876 N ALA A 122 -8.158 8.792 6.483 1.00 0.00 N ATOM 1877 CA ALA A 122 -9.603 8.752 6.691 1.00 0.00 C ATOM 1878 C ALA A 122 -10.114 10.077 7.206 1.00 0.00 C ATOM 1879 O ALA A 122 -10.847 10.835 6.500 1.00 0.00 O ATOM 1880 CB ALA A 122 -9.903 7.584 7.646 1.00 0.00 C ATOM 1881 OXT ALA A 122 -9.760 10.389 8.386 1.00 0.00 O ATOM 0 H ALA A 122 -7.609 8.592 7.319 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.127 8.585 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -10.977 7.526 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -9.558 6.651 7.200 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.387 7.746 8.593 1.00 0.00 H new TER 1887 ALA A 122