USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 686 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 TYR OH : rot 160:sc= 1.25 USER MOD Set 1.2: A 67 GLN : amide:sc= 0 X(o=1.2,f=1.2) USER MOD Set 2.1: A 32 THR OG1 : rot 180:sc= -0.331 USER MOD Set 2.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 18 TYR OH : rot 180:sc= -0.0387 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS :FLIP no HD1:sc= -0.238 F(o=-0.86,f=-0.24) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.0224 X(o=-0.022,f=-0.43) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -37:sc= 0.0485 USER MOD Single : A 17 THR OG1 : rot -51:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.166 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00352 K(o=-0.0035,f=-0.72) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.57) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.724 K(o=0.72,f=-0.37) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 39:sc= 0.664 USER MOD Single : A 68 SER OG : rot -160:sc= -0.102 USER MOD Single : A 72 HIS : no HD1:sc= -0.484 X(o=-0.48,f=0.0002) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0203) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 79 SER OG : rot 180:sc= -0.181 USER MOD Single : A 80 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.21) USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.32) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0839 X(o=-0.084,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.299 29.279 -3.743 1.00 0.00 N ATOM 2 CA GLY A 1 9.720 29.653 -3.878 1.00 0.00 C ATOM 3 C GLY A 1 10.549 28.713 -3.027 1.00 0.00 C ATOM 4 O GLY A 1 10.532 28.845 -1.805 1.00 0.00 O ATOM 0 H1 GLY A 1 7.716 29.916 -4.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.166 28.299 -4.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.012 29.358 -2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.030 29.592 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.872 30.685 -3.560 1.00 0.00 H new ATOM 8 N HIS A 2 11.185 27.734 -3.666 1.00 0.00 N ATOM 9 CA HIS A 2 11.947 26.681 -3.008 1.00 0.00 C ATOM 10 C HIS A 2 13.269 27.234 -2.470 1.00 0.00 C ATOM 11 O HIS A 2 13.752 28.250 -2.971 1.00 0.00 O ATOM 12 CB HIS A 2 12.147 25.537 -4.020 1.00 0.00 C ATOM 13 CG HIS A 2 12.593 25.983 -5.393 1.00 0.00 C ATOM 14 ND1 HIS A 2 11.792 26.240 -6.474 1.00 0.00 N flip ATOM 15 CD2 HIS A 2 13.891 26.204 -5.777 1.00 0.00 C flip ATOM 16 CE1 HIS A 2 12.620 26.640 -7.528 1.00 0.00 C flip ATOM 17 NE2 HIS A 2 13.883 26.590 -7.061 1.00 0.00 N flip ATOM 0 H HIS A 2 11.183 27.651 -4.683 1.00 0.00 H new ATOM 0 HA HIS A 2 11.410 26.291 -2.143 1.00 0.00 H new ATOM 0 HB2 HIS A 2 12.885 24.841 -3.621 1.00 0.00 H new ATOM 0 HB3 HIS A 2 11.211 24.988 -4.117 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.766 26.088 -5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 2 12.309 26.931 -8.520 1.00 0.00 H new ATOM 0 HE2 HIS A 2 14.715 26.814 -7.607 1.00 0.00 H new ATOM 25 N MET A 3 13.826 26.585 -1.442 1.00 0.00 N ATOM 26 CA MET A 3 15.185 26.810 -0.955 1.00 0.00 C ATOM 27 C MET A 3 15.560 25.721 0.051 1.00 0.00 C ATOM 28 O MET A 3 16.615 25.101 -0.081 1.00 0.00 O ATOM 29 CB MET A 3 15.365 28.214 -0.335 1.00 0.00 C ATOM 30 CG MET A 3 16.433 29.002 -1.100 1.00 0.00 C ATOM 31 SD MET A 3 18.100 28.295 -0.992 1.00 0.00 S ATOM 32 CE MET A 3 18.918 29.207 -2.327 1.00 0.00 C ATOM 0 H MET A 3 13.327 25.869 -0.913 1.00 0.00 H new ATOM 0 HA MET A 3 15.856 26.760 -1.812 1.00 0.00 H new ATOM 0 HB2 MET A 3 14.418 28.754 -0.360 1.00 0.00 H new ATOM 0 HB3 MET A 3 15.652 28.122 0.712 1.00 0.00 H new ATOM 0 HG2 MET A 3 16.143 29.061 -2.149 1.00 0.00 H new ATOM 0 HG3 MET A 3 16.458 30.023 -0.718 1.00 0.00 H new ATOM 0 HE1 MET A 3 19.959 28.892 -2.399 1.00 0.00 H new ATOM 0 HE2 MET A 3 18.411 29.003 -3.270 1.00 0.00 H new ATOM 0 HE3 MET A 3 18.876 30.276 -2.116 1.00 0.00 H new ATOM 42 N GLN A 4 14.724 25.471 1.068 1.00 0.00 N ATOM 43 CA GLN A 4 14.868 24.263 1.878 1.00 0.00 C ATOM 44 C GLN A 4 14.310 23.097 1.072 1.00 0.00 C ATOM 45 O GLN A 4 13.301 23.261 0.380 1.00 0.00 O ATOM 46 CB GLN A 4 14.161 24.410 3.238 1.00 0.00 C ATOM 47 CG GLN A 4 14.738 23.439 4.288 1.00 0.00 C ATOM 48 CD GLN A 4 14.643 23.967 5.720 1.00 0.00 C ATOM 49 OE1 GLN A 4 14.916 25.134 5.986 1.00 0.00 O ATOM 50 NE2 GLN A 4 14.289 23.127 6.678 1.00 0.00 N ATOM 0 H GLN A 4 13.954 26.081 1.343 1.00 0.00 H new ATOM 0 HA GLN A 4 15.919 24.085 2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 4 14.266 25.435 3.594 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.094 24.222 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 4 14.208 22.489 4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 4 15.783 23.238 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 4 14.064 22.159 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.241 23.447 7.645 1.00 0.00 H new ATOM 59 N GLU A 5 14.938 21.931 1.177 1.00 0.00 N ATOM 60 CA GLU A 5 14.538 20.754 0.430 1.00 0.00 C ATOM 61 C GLU A 5 13.415 20.024 1.164 1.00 0.00 C ATOM 62 O GLU A 5 12.308 19.920 0.639 1.00 0.00 O ATOM 63 CB GLU A 5 15.778 19.895 0.144 1.00 0.00 C ATOM 64 CG GLU A 5 15.414 18.595 -0.575 1.00 0.00 C ATOM 65 CD GLU A 5 16.628 17.986 -1.272 1.00 0.00 C ATOM 66 OE1 GLU A 5 17.478 17.381 -0.579 1.00 0.00 O ATOM 67 OE2 GLU A 5 16.714 18.121 -2.515 1.00 0.00 O ATOM 0 H GLU A 5 15.742 21.780 1.786 1.00 0.00 H new ATOM 0 HA GLU A 5 14.121 21.025 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.481 20.463 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.284 19.663 1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.009 17.882 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.631 18.790 -1.308 1.00 0.00 H new ATOM 74 N SER A 6 13.698 19.562 2.381 1.00 0.00 N ATOM 75 CA SER A 6 12.841 18.700 3.189 1.00 0.00 C ATOM 76 C SER A 6 12.267 17.564 2.337 1.00 0.00 C ATOM 77 O SER A 6 11.088 17.566 1.986 1.00 0.00 O ATOM 78 CB SER A 6 11.767 19.533 3.908 1.00 0.00 C ATOM 79 OG SER A 6 10.998 18.736 4.797 1.00 0.00 O ATOM 0 H SER A 6 14.574 19.790 2.852 1.00 0.00 H new ATOM 0 HA SER A 6 13.433 18.224 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.243 20.342 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.110 19.995 3.171 1.00 0.00 H new ATOM 0 HG SER A 6 10.326 19.295 5.239 1.00 0.00 H new ATOM 85 N TYR A 7 13.098 16.589 1.972 1.00 0.00 N ATOM 86 CA TYR A 7 12.644 15.389 1.291 1.00 0.00 C ATOM 87 C TYR A 7 13.366 14.176 1.859 1.00 0.00 C ATOM 88 O TYR A 7 14.563 14.237 2.156 1.00 0.00 O ATOM 89 CB TYR A 7 12.903 15.489 -0.223 1.00 0.00 C ATOM 90 CG TYR A 7 11.670 15.812 -1.039 1.00 0.00 C ATOM 91 CD1 TYR A 7 10.710 14.806 -1.253 1.00 0.00 C ATOM 92 CD2 TYR A 7 11.504 17.084 -1.618 1.00 0.00 C ATOM 93 CE1 TYR A 7 9.607 15.048 -2.086 1.00 0.00 C ATOM 94 CE2 TYR A 7 10.401 17.327 -2.457 1.00 0.00 C ATOM 95 CZ TYR A 7 9.459 16.307 -2.704 1.00 0.00 C ATOM 96 OH TYR A 7 8.411 16.535 -3.536 1.00 0.00 O ATOM 0 H TYR A 7 14.103 16.614 2.142 1.00 0.00 H new ATOM 0 HA TYR A 7 11.571 15.283 1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 7 13.656 16.256 -0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 7 13.320 14.545 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 7 10.822 13.844 -0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.219 17.869 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.874 14.273 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.275 18.298 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 7 8.457 17.453 -3.876 1.00 0.00 H new ATOM 106 N SER A 8 12.646 13.057 1.928 1.00 0.00 N ATOM 107 CA SER A 8 13.212 11.729 2.063 1.00 0.00 C ATOM 108 C SER A 8 12.247 10.758 1.381 1.00 0.00 C ATOM 109 O SER A 8 11.651 9.872 2.002 1.00 0.00 O ATOM 110 CB SER A 8 13.504 11.440 3.538 1.00 0.00 C ATOM 111 OG SER A 8 14.492 10.432 3.654 1.00 0.00 O ATOM 0 H SER A 8 11.627 13.056 1.890 1.00 0.00 H new ATOM 0 HA SER A 8 14.178 11.622 1.570 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.843 12.350 4.034 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.591 11.123 4.042 1.00 0.00 H new ATOM 0 HG SER A 8 14.671 10.257 4.601 1.00 0.00 H new ATOM 117 N GLN A 9 12.026 10.992 0.086 1.00 0.00 N ATOM 118 CA GLN A 9 11.321 10.091 -0.798 1.00 0.00 C ATOM 119 C GLN A 9 12.232 8.894 -1.133 1.00 0.00 C ATOM 120 O GLN A 9 13.383 8.831 -0.693 1.00 0.00 O ATOM 121 CB GLN A 9 10.813 10.872 -2.030 1.00 0.00 C ATOM 122 CG GLN A 9 11.889 11.088 -3.094 1.00 0.00 C ATOM 123 CD GLN A 9 11.410 12.003 -4.214 1.00 0.00 C ATOM 124 OE1 GLN A 9 11.625 13.212 -4.174 1.00 0.00 O ATOM 125 NE2 GLN A 9 10.754 11.455 -5.225 1.00 0.00 N ATOM 0 H GLN A 9 12.346 11.841 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 9 10.434 9.675 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.976 10.333 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.432 11.841 -1.706 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.777 11.518 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.183 10.126 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 9 10.586 10.449 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.416 12.039 -5.990 1.00 0.00 H new ATOM 134 N TYR A 10 11.750 7.973 -1.961 1.00 0.00 N ATOM 135 CA TYR A 10 12.392 6.701 -2.291 1.00 0.00 C ATOM 136 C TYR A 10 12.611 6.603 -3.811 1.00 0.00 C ATOM 137 O TYR A 10 12.065 7.416 -4.574 1.00 0.00 O ATOM 138 CB TYR A 10 11.517 5.572 -1.732 1.00 0.00 C ATOM 139 CG TYR A 10 11.701 5.373 -0.241 1.00 0.00 C ATOM 140 CD1 TYR A 10 11.043 6.226 0.661 1.00 0.00 C ATOM 141 CD2 TYR A 10 12.561 4.373 0.252 1.00 0.00 C ATOM 142 CE1 TYR A 10 11.228 6.088 2.042 1.00 0.00 C ATOM 143 CE2 TYR A 10 12.774 4.246 1.637 1.00 0.00 C ATOM 144 CZ TYR A 10 12.131 5.123 2.537 1.00 0.00 C ATOM 145 OH TYR A 10 12.379 5.033 3.872 1.00 0.00 O ATOM 0 H TYR A 10 10.860 8.097 -2.444 1.00 0.00 H new ATOM 0 HA TYR A 10 13.380 6.621 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.470 5.793 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.755 4.643 -2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.387 6.997 0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.058 3.703 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.681 6.719 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 10 13.431 3.476 2.012 1.00 0.00 H new ATOM 0 HH TYR A 10 13.024 4.314 4.037 1.00 0.00 H new ATOM 155 N PRO A 11 13.442 5.661 -4.284 1.00 0.00 N ATOM 156 CA PRO A 11 13.576 5.340 -5.702 1.00 0.00 C ATOM 157 C PRO A 11 12.330 4.602 -6.206 1.00 0.00 C ATOM 158 O PRO A 11 11.313 4.549 -5.521 1.00 0.00 O ATOM 159 CB PRO A 11 14.835 4.477 -5.778 1.00 0.00 C ATOM 160 CG PRO A 11 14.781 3.709 -4.467 1.00 0.00 C ATOM 161 CD PRO A 11 14.303 4.785 -3.500 1.00 0.00 C ATOM 0 HA PRO A 11 13.662 6.223 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.820 3.811 -6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.738 5.082 -5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.092 2.866 -4.514 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.755 3.309 -4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.759 4.347 -2.663 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.144 5.336 -3.079 1.00 0.00 H new ATOM 169 N VAL A 12 12.400 4.050 -7.412 1.00 0.00 N ATOM 170 CA VAL A 12 11.355 3.277 -8.066 1.00 0.00 C ATOM 171 C VAL A 12 11.799 1.804 -8.112 1.00 0.00 C ATOM 172 O VAL A 12 12.590 1.444 -8.988 1.00 0.00 O ATOM 173 CB VAL A 12 10.950 3.893 -9.410 1.00 0.00 C ATOM 174 CG1 VAL A 12 9.895 3.021 -10.090 1.00 0.00 C ATOM 175 CG2 VAL A 12 10.342 5.289 -9.210 1.00 0.00 C ATOM 0 H VAL A 12 13.236 4.136 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 12 10.427 3.307 -7.495 1.00 0.00 H new ATOM 0 HB VAL A 12 11.848 3.962 -10.024 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.614 3.467 -11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.302 2.024 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.015 2.949 -9.450 1.00 0.00 H new ATOM 0 HG21 VAL A 12 10.062 5.706 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.457 5.213 -8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.074 5.940 -8.732 1.00 0.00 H new ATOM 185 N PRO A 13 11.510 1.000 -7.078 1.00 0.00 N ATOM 186 CA PRO A 13 11.941 -0.397 -7.011 1.00 0.00 C ATOM 187 C PRO A 13 11.271 -1.280 -8.084 1.00 0.00 C ATOM 188 O PRO A 13 10.376 -0.821 -8.803 1.00 0.00 O ATOM 189 CB PRO A 13 11.546 -0.815 -5.598 1.00 0.00 C ATOM 190 CG PRO A 13 10.265 -0.032 -5.332 1.00 0.00 C ATOM 191 CD PRO A 13 10.593 1.308 -5.980 1.00 0.00 C ATOM 0 HA PRO A 13 13.006 -0.514 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.379 -1.890 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.324 -0.567 -4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.393 -0.505 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.057 0.067 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.691 1.797 -6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.054 1.988 -5.263 1.00 0.00 H new ATOM 199 N ASP A 14 11.668 -2.559 -8.176 1.00 0.00 N ATOM 200 CA ASP A 14 10.954 -3.565 -8.966 1.00 0.00 C ATOM 201 C ASP A 14 11.200 -4.973 -8.419 1.00 0.00 C ATOM 202 O ASP A 14 12.303 -5.268 -7.955 1.00 0.00 O ATOM 203 CB ASP A 14 11.407 -3.548 -10.432 1.00 0.00 C ATOM 204 CG ASP A 14 10.525 -4.506 -11.235 1.00 0.00 C ATOM 205 OD1 ASP A 14 9.287 -4.305 -11.240 1.00 0.00 O ATOM 206 OD2 ASP A 14 11.060 -5.514 -11.747 1.00 0.00 O ATOM 0 H ASP A 14 12.495 -2.922 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 14 9.895 -3.316 -8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.334 -2.539 -10.837 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.453 -3.846 -10.507 1.00 0.00 H new ATOM 211 N VAL A 15 10.213 -5.865 -8.536 1.00 0.00 N ATOM 212 CA VAL A 15 10.279 -7.258 -8.097 1.00 0.00 C ATOM 213 C VAL A 15 11.411 -8.060 -8.738 1.00 0.00 C ATOM 214 O VAL A 15 11.875 -9.038 -8.150 1.00 0.00 O ATOM 215 CB VAL A 15 8.892 -7.911 -8.276 1.00 0.00 C ATOM 216 CG1 VAL A 15 8.487 -8.005 -9.759 1.00 0.00 C ATOM 217 CG2 VAL A 15 8.762 -9.296 -7.634 1.00 0.00 C ATOM 0 H VAL A 15 9.314 -5.627 -8.955 1.00 0.00 H new ATOM 0 HA VAL A 15 10.536 -7.264 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 15 8.212 -7.242 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.505 -8.471 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.451 -7.005 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.219 -8.606 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.758 -9.684 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.493 -9.972 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.942 -9.218 -6.562 1.00 0.00 H new ATOM 227 N SER A 16 11.918 -7.654 -9.902 1.00 0.00 N ATOM 228 CA SER A 16 13.070 -8.283 -10.528 1.00 0.00 C ATOM 229 C SER A 16 14.358 -8.115 -9.698 1.00 0.00 C ATOM 230 O SER A 16 15.393 -8.662 -10.078 1.00 0.00 O ATOM 231 CB SER A 16 13.175 -7.705 -11.935 1.00 0.00 C ATOM 232 OG SER A 16 14.017 -8.445 -12.784 1.00 0.00 O ATOM 0 H SER A 16 11.535 -6.874 -10.437 1.00 0.00 H new ATOM 0 HA SER A 16 12.938 -9.364 -10.582 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.179 -7.658 -12.375 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.544 -6.681 -11.872 1.00 0.00 H new ATOM 0 HG SER A 16 14.781 -8.784 -12.272 1.00 0.00 H new ATOM 238 N THR A 17 14.330 -7.386 -8.576 1.00 0.00 N ATOM 239 CA THR A 17 15.481 -7.192 -7.696 1.00 0.00 C ATOM 240 C THR A 17 15.371 -8.015 -6.395 1.00 0.00 C ATOM 241 O THR A 17 16.332 -8.058 -5.618 1.00 0.00 O ATOM 242 CB THR A 17 15.673 -5.683 -7.439 1.00 0.00 C ATOM 243 OG1 THR A 17 14.618 -5.135 -6.669 1.00 0.00 O ATOM 244 CG2 THR A 17 15.786 -4.865 -8.733 1.00 0.00 C ATOM 0 H THR A 17 13.490 -6.907 -8.251 1.00 0.00 H new ATOM 0 HA THR A 17 16.374 -7.572 -8.192 1.00 0.00 H new ATOM 0 HB THR A 17 16.612 -5.614 -6.889 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.758 -5.380 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.920 -3.812 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 17 16.642 -5.214 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 17 14.877 -4.988 -9.322 1.00 0.00 H new ATOM 252 N TYR A 18 14.219 -8.655 -6.139 1.00 0.00 N ATOM 253 CA TYR A 18 13.891 -9.300 -4.866 1.00 0.00 C ATOM 254 C TYR A 18 14.356 -10.751 -4.835 1.00 0.00 C ATOM 255 O TYR A 18 14.668 -11.341 -5.872 1.00 0.00 O ATOM 256 CB TYR A 18 12.367 -9.237 -4.629 1.00 0.00 C ATOM 257 CG TYR A 18 11.777 -7.850 -4.525 1.00 0.00 C ATOM 258 CD1 TYR A 18 12.599 -6.725 -4.352 1.00 0.00 C ATOM 259 CD2 TYR A 18 10.387 -7.687 -4.652 1.00 0.00 C ATOM 260 CE1 TYR A 18 12.060 -5.443 -4.473 1.00 0.00 C ATOM 261 CE2 TYR A 18 9.833 -6.404 -4.787 1.00 0.00 C ATOM 262 CZ TYR A 18 10.683 -5.273 -4.749 1.00 0.00 C ATOM 263 OH TYR A 18 10.191 -4.030 -4.999 1.00 0.00 O ATOM 0 H TYR A 18 13.474 -8.738 -6.831 1.00 0.00 H new ATOM 0 HA TYR A 18 14.413 -8.764 -4.074 1.00 0.00 H new ATOM 0 HB2 TYR A 18 11.869 -9.764 -5.443 1.00 0.00 H new ATOM 0 HB3 TYR A 18 12.138 -9.779 -3.712 1.00 0.00 H new ATOM 0 HD1 TYR A 18 13.647 -6.851 -4.126 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.742 -8.553 -4.646 1.00 0.00 H new ATOM 0 HE1 TYR A 18 12.696 -4.578 -4.356 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.768 -6.281 -4.919 1.00 0.00 H new ATOM 0 HH TYR A 18 9.228 -4.088 -5.171 1.00 0.00 H new ATOM 273 N GLN A 19 14.323 -11.347 -3.644 1.00 0.00 N ATOM 274 CA GLN A 19 14.699 -12.733 -3.396 1.00 0.00 C ATOM 275 C GLN A 19 13.503 -13.513 -2.867 1.00 0.00 C ATOM 276 O GLN A 19 13.013 -13.204 -1.787 1.00 0.00 O ATOM 277 CB GLN A 19 15.854 -12.775 -2.390 1.00 0.00 C ATOM 278 CG GLN A 19 17.182 -12.335 -3.022 1.00 0.00 C ATOM 279 CD GLN A 19 18.340 -13.156 -2.468 1.00 0.00 C ATOM 280 OE1 GLN A 19 18.462 -14.349 -2.746 1.00 0.00 O ATOM 281 NE2 GLN A 19 19.227 -12.560 -1.697 1.00 0.00 N ATOM 0 H GLN A 19 14.024 -10.860 -2.799 1.00 0.00 H new ATOM 0 HA GLN A 19 15.023 -13.193 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.622 -12.127 -1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.957 -13.787 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.132 -12.452 -4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.352 -11.277 -2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.122 -11.571 -1.469 1.00 0.00 H new ATOM 0 HE22 GLN A 19 20.018 -13.087 -1.328 1.00 0.00 H new ATOM 290 N TYR A 20 13.021 -14.512 -3.603 1.00 0.00 N ATOM 291 CA TYR A 20 11.979 -15.406 -3.110 1.00 0.00 C ATOM 292 C TYR A 20 12.533 -16.328 -2.033 1.00 0.00 C ATOM 293 O TYR A 20 13.637 -16.850 -2.186 1.00 0.00 O ATOM 294 CB TYR A 20 11.468 -16.237 -4.276 1.00 0.00 C ATOM 295 CG TYR A 20 10.276 -17.111 -3.966 1.00 0.00 C ATOM 296 CD1 TYR A 20 8.999 -16.531 -3.955 1.00 0.00 C ATOM 297 CD2 TYR A 20 10.432 -18.480 -3.676 1.00 0.00 C ATOM 298 CE1 TYR A 20 7.861 -17.336 -3.763 1.00 0.00 C ATOM 299 CE2 TYR A 20 9.307 -19.279 -3.421 1.00 0.00 C ATOM 300 CZ TYR A 20 8.009 -18.718 -3.503 1.00 0.00 C ATOM 301 OH TYR A 20 6.916 -19.501 -3.289 1.00 0.00 O ATOM 0 H TYR A 20 13.339 -14.722 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 20 11.170 -14.818 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.204 -15.565 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 20 12.280 -16.870 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.889 -15.466 -4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 20 11.420 -18.916 -3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.875 -16.898 -3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.431 -20.320 -3.163 1.00 0.00 H new ATOM 0 HH TYR A 20 7.202 -20.424 -3.127 1.00 0.00 H new ATOM 311 N ASP A 21 11.739 -16.629 -1.010 1.00 0.00 N ATOM 312 CA ASP A 21 12.107 -17.521 0.086 1.00 0.00 C ATOM 313 C ASP A 21 11.011 -18.541 0.319 1.00 0.00 C ATOM 314 O ASP A 21 9.992 -18.252 0.948 1.00 0.00 O ATOM 315 CB ASP A 21 12.443 -16.760 1.377 1.00 0.00 C ATOM 316 CG ASP A 21 13.838 -17.205 1.818 1.00 0.00 C ATOM 317 OD1 ASP A 21 13.972 -18.381 2.232 1.00 0.00 O ATOM 318 OD2 ASP A 21 14.825 -16.458 1.646 1.00 0.00 O ATOM 0 H ASP A 21 10.797 -16.250 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 21 13.018 -18.043 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.419 -15.684 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.708 -16.976 2.152 1.00 0.00 H new ATOM 323 N GLU A 22 11.165 -19.731 -0.251 1.00 0.00 N ATOM 324 CA GLU A 22 10.214 -20.843 -0.141 1.00 0.00 C ATOM 325 C GLU A 22 9.865 -21.204 1.315 1.00 0.00 C ATOM 326 O GLU A 22 8.828 -21.816 1.558 1.00 0.00 O ATOM 327 CB GLU A 22 10.734 -22.090 -0.882 1.00 0.00 C ATOM 328 CG GLU A 22 12.258 -22.254 -0.815 1.00 0.00 C ATOM 329 CD GLU A 22 12.745 -23.623 -1.303 1.00 0.00 C ATOM 330 OE1 GLU A 22 12.361 -24.672 -0.734 1.00 0.00 O ATOM 331 OE2 GLU A 22 13.608 -23.645 -2.215 1.00 0.00 O ATOM 0 H GLU A 22 11.979 -19.961 -0.821 1.00 0.00 H new ATOM 0 HA GLU A 22 9.294 -20.497 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.263 -22.977 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.429 -22.035 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.727 -21.475 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.587 -22.105 0.213 1.00 0.00 H new ATOM 338 N THR A 23 10.693 -20.795 2.275 1.00 0.00 N ATOM 339 CA THR A 23 10.503 -21.021 3.700 1.00 0.00 C ATOM 340 C THR A 23 9.245 -20.304 4.236 1.00 0.00 C ATOM 341 O THR A 23 8.781 -20.658 5.320 1.00 0.00 O ATOM 342 CB THR A 23 11.801 -20.586 4.409 1.00 0.00 C ATOM 343 OG1 THR A 23 11.986 -21.272 5.631 1.00 0.00 O ATOM 344 CG2 THR A 23 11.900 -19.085 4.681 1.00 0.00 C ATOM 0 H THR A 23 11.547 -20.277 2.069 1.00 0.00 H new ATOM 0 HA THR A 23 10.318 -22.076 3.901 1.00 0.00 H new ATOM 0 HB THR A 23 12.587 -20.847 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.819 -20.972 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.843 -18.867 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.856 -18.541 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.071 -18.775 5.318 1.00 0.00 H new ATOM 352 N SER A 24 8.697 -19.311 3.517 1.00 0.00 N ATOM 353 CA SER A 24 7.474 -18.599 3.914 1.00 0.00 C ATOM 354 C SER A 24 6.596 -18.225 2.711 1.00 0.00 C ATOM 355 O SER A 24 5.398 -17.980 2.877 1.00 0.00 O ATOM 356 CB SER A 24 7.791 -17.345 4.756 1.00 0.00 C ATOM 357 OG SER A 24 9.137 -17.299 5.211 1.00 0.00 O ATOM 0 H SER A 24 9.094 -18.978 2.638 1.00 0.00 H new ATOM 0 HA SER A 24 6.907 -19.295 4.532 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.585 -16.455 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.123 -17.315 5.616 1.00 0.00 H new ATOM 0 HG SER A 24 9.277 -16.483 5.736 1.00 0.00 H new ATOM 363 N GLY A 25 7.161 -18.188 1.498 1.00 0.00 N ATOM 364 CA GLY A 25 6.411 -17.927 0.274 1.00 0.00 C ATOM 365 C GLY A 25 6.329 -16.443 -0.084 1.00 0.00 C ATOM 366 O GLY A 25 5.570 -16.102 -0.991 1.00 0.00 O ATOM 0 H GLY A 25 8.158 -18.340 1.343 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.877 -18.467 -0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.401 -18.323 0.384 1.00 0.00 H new ATOM 370 N TYR A 26 7.091 -15.566 0.582 1.00 0.00 N ATOM 371 CA TYR A 26 7.124 -14.142 0.284 1.00 0.00 C ATOM 372 C TYR A 26 8.481 -13.807 -0.321 1.00 0.00 C ATOM 373 O TYR A 26 9.505 -14.411 0.018 1.00 0.00 O ATOM 374 CB TYR A 26 6.912 -13.302 1.547 1.00 0.00 C ATOM 375 CG TYR A 26 5.479 -13.217 2.067 1.00 0.00 C ATOM 376 CD1 TYR A 26 4.681 -14.368 2.229 1.00 0.00 C ATOM 377 CD2 TYR A 26 4.932 -11.965 2.400 1.00 0.00 C ATOM 378 CE1 TYR A 26 3.342 -14.270 2.642 1.00 0.00 C ATOM 379 CE2 TYR A 26 3.606 -11.864 2.861 1.00 0.00 C ATOM 380 CZ TYR A 26 2.789 -13.011 2.947 1.00 0.00 C ATOM 381 OH TYR A 26 1.498 -12.903 3.367 1.00 0.00 O ATOM 0 H TYR A 26 7.706 -15.836 1.350 1.00 0.00 H new ATOM 0 HA TYR A 26 6.319 -13.910 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.540 -13.710 2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.265 -12.290 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.106 -15.341 2.032 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.534 -11.074 2.301 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.736 -15.160 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.211 -10.902 3.151 1.00 0.00 H new ATOM 0 HH TYR A 26 1.286 -11.961 3.533 1.00 0.00 H new ATOM 391 N TYR A 27 8.487 -12.784 -1.162 1.00 0.00 N ATOM 392 CA TYR A 27 9.702 -12.219 -1.720 1.00 0.00 C ATOM 393 C TYR A 27 10.294 -11.294 -0.647 1.00 0.00 C ATOM 394 O TYR A 27 9.535 -10.703 0.121 1.00 0.00 O ATOM 395 CB TYR A 27 9.365 -11.449 -3.001 1.00 0.00 C ATOM 396 CG TYR A 27 8.969 -12.333 -4.169 1.00 0.00 C ATOM 397 CD1 TYR A 27 7.664 -12.856 -4.250 1.00 0.00 C ATOM 398 CD2 TYR A 27 9.914 -12.659 -5.161 1.00 0.00 C ATOM 399 CE1 TYR A 27 7.312 -13.736 -5.290 1.00 0.00 C ATOM 400 CE2 TYR A 27 9.568 -13.530 -6.209 1.00 0.00 C ATOM 401 CZ TYR A 27 8.271 -14.089 -6.266 1.00 0.00 C ATOM 402 OH TYR A 27 7.949 -14.981 -7.241 1.00 0.00 O ATOM 0 H TYR A 27 7.637 -12.318 -1.479 1.00 0.00 H new ATOM 0 HA TYR A 27 10.425 -12.990 -1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.551 -10.755 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 27 10.228 -10.849 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.928 -12.580 -3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.908 -12.239 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.312 -14.140 -5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.294 -13.772 -6.971 1.00 0.00 H new ATOM 0 HH TYR A 27 8.720 -15.113 -7.831 1.00 0.00 H new ATOM 412 N TYR A 28 11.617 -11.165 -0.577 1.00 0.00 N ATOM 413 CA TYR A 28 12.323 -10.265 0.325 1.00 0.00 C ATOM 414 C TYR A 28 12.870 -9.068 -0.446 1.00 0.00 C ATOM 415 O TYR A 28 13.468 -9.253 -1.515 1.00 0.00 O ATOM 416 CB TYR A 28 13.482 -11.002 1.013 1.00 0.00 C ATOM 417 CG TYR A 28 14.238 -10.123 1.994 1.00 0.00 C ATOM 418 CD1 TYR A 28 13.521 -9.485 3.018 1.00 0.00 C ATOM 419 CD2 TYR A 28 15.625 -9.894 1.876 1.00 0.00 C ATOM 420 CE1 TYR A 28 14.164 -8.633 3.923 1.00 0.00 C ATOM 421 CE2 TYR A 28 16.285 -9.035 2.781 1.00 0.00 C ATOM 422 CZ TYR A 28 15.551 -8.407 3.817 1.00 0.00 C ATOM 423 OH TYR A 28 16.177 -7.623 4.740 1.00 0.00 O ATOM 0 H TYR A 28 12.248 -11.705 -1.169 1.00 0.00 H new ATOM 0 HA TYR A 28 11.621 -9.915 1.082 1.00 0.00 H new ATOM 0 HB2 TYR A 28 13.091 -11.873 1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.173 -11.371 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 28 12.458 -9.654 3.109 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.185 -10.378 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.597 -8.148 4.704 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.346 -8.857 2.684 1.00 0.00 H new ATOM 0 HH TYR A 28 17.132 -7.567 4.528 1.00 0.00 H new ATOM 433 N ASP A 29 12.697 -7.864 0.112 1.00 0.00 N ATOM 434 CA ASP A 29 13.101 -6.584 -0.439 1.00 0.00 C ATOM 435 C ASP A 29 14.417 -6.111 0.192 1.00 0.00 C ATOM 436 O ASP A 29 14.392 -5.334 1.152 1.00 0.00 O ATOM 437 CB ASP A 29 12.033 -5.504 -0.222 1.00 0.00 C ATOM 438 CG ASP A 29 10.656 -5.802 -0.741 1.00 0.00 C ATOM 439 OD1 ASP A 29 9.866 -6.475 -0.051 1.00 0.00 O ATOM 440 OD2 ASP A 29 10.378 -5.323 -1.855 1.00 0.00 O ATOM 0 H ASP A 29 12.241 -7.761 1.019 1.00 0.00 H new ATOM 0 HA ASP A 29 13.235 -6.733 -1.510 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.958 -5.310 0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.381 -4.583 -0.690 1.00 0.00 H new ATOM 445 N PRO A 30 15.601 -6.509 -0.301 1.00 0.00 N ATOM 446 CA PRO A 30 16.861 -6.078 0.293 1.00 0.00 C ATOM 447 C PRO A 30 17.128 -4.576 0.165 1.00 0.00 C ATOM 448 O PRO A 30 18.139 -4.090 0.674 1.00 0.00 O ATOM 449 CB PRO A 30 17.933 -6.868 -0.436 1.00 0.00 C ATOM 450 CG PRO A 30 17.313 -7.195 -1.795 1.00 0.00 C ATOM 451 CD PRO A 30 15.838 -7.362 -1.454 1.00 0.00 C ATOM 0 HA PRO A 30 16.843 -6.261 1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 30 18.848 -6.286 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 30 18.196 -7.775 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.474 -6.395 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.735 -8.103 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.207 -7.070 -2.293 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.604 -8.402 -1.226 1.00 0.00 H new ATOM 459 N GLN A 31 16.288 -3.831 -0.549 1.00 0.00 N ATOM 460 CA GLN A 31 16.452 -2.399 -0.678 1.00 0.00 C ATOM 461 C GLN A 31 15.974 -1.687 0.596 1.00 0.00 C ATOM 462 O GLN A 31 16.543 -0.658 0.963 1.00 0.00 O ATOM 463 CB GLN A 31 15.664 -1.951 -1.911 1.00 0.00 C ATOM 464 CG GLN A 31 16.028 -0.553 -2.429 1.00 0.00 C ATOM 465 CD GLN A 31 15.607 -0.362 -3.888 1.00 0.00 C ATOM 466 OE1 GLN A 31 14.848 -1.144 -4.458 1.00 0.00 O ATOM 467 NE2 GLN A 31 16.154 0.635 -4.559 1.00 0.00 N ATOM 0 H GLN A 31 15.482 -4.207 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 31 17.503 -2.138 -0.804 1.00 0.00 H new ATOM 0 HB2 GLN A 31 15.825 -2.674 -2.711 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.600 -1.970 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 31 15.545 0.202 -1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.103 -0.400 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.783 1.283 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.947 0.757 -5.550 1.00 0.00 H new ATOM 476 N THR A 32 14.952 -2.229 1.265 1.00 0.00 N ATOM 477 CA THR A 32 14.121 -1.559 2.274 1.00 0.00 C ATOM 478 C THR A 32 13.871 -2.421 3.508 1.00 0.00 C ATOM 479 O THR A 32 13.531 -1.890 4.567 1.00 0.00 O ATOM 480 CB THR A 32 12.780 -1.120 1.632 1.00 0.00 C ATOM 481 OG1 THR A 32 12.572 -1.828 0.413 1.00 0.00 O ATOM 482 CG2 THR A 32 12.926 0.339 1.195 1.00 0.00 C ATOM 0 H THR A 32 14.666 -3.196 1.111 1.00 0.00 H new ATOM 0 HA THR A 32 14.670 -0.684 2.621 1.00 0.00 H new ATOM 0 HB THR A 32 11.977 -1.291 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.723 -1.548 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.996 0.677 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.150 0.958 2.064 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.737 0.423 0.471 1.00 0.00 H new ATOM 490 N GLY A 33 14.049 -3.736 3.397 1.00 0.00 N ATOM 491 CA GLY A 33 13.939 -4.662 4.501 1.00 0.00 C ATOM 492 C GLY A 33 12.565 -5.302 4.625 1.00 0.00 C ATOM 493 O GLY A 33 12.392 -6.116 5.536 1.00 0.00 O ATOM 0 H GLY A 33 14.279 -4.189 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 33 14.686 -5.446 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 33 14.171 -4.138 5.428 1.00 0.00 H new ATOM 497 N LEU A 34 11.574 -4.914 3.814 1.00 0.00 N ATOM 498 CA LEU A 34 10.247 -5.495 3.851 1.00 0.00 C ATOM 499 C LEU A 34 10.258 -6.861 3.167 1.00 0.00 C ATOM 500 O LEU A 34 11.286 -7.301 2.648 1.00 0.00 O ATOM 501 CB LEU A 34 9.227 -4.579 3.144 1.00 0.00 C ATOM 502 CG LEU A 34 9.483 -3.059 3.177 1.00 0.00 C ATOM 503 CD1 LEU A 34 9.969 -2.537 4.518 1.00 0.00 C ATOM 504 CD2 LEU A 34 9.972 -2.544 1.854 1.00 0.00 C ATOM 0 H LEU A 34 11.682 -4.182 3.112 1.00 0.00 H new ATOM 0 HA LEU A 34 9.954 -5.608 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.168 -4.886 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.248 -4.764 3.586 1.00 0.00 H new ATOM 0 HG LEU A 34 8.559 -2.482 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.124 -1.460 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.224 -2.752 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.908 -3.024 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.140 -1.469 1.921 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.906 -3.041 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.226 -2.747 1.086 1.00 0.00 H new ATOM 516 N TYR A 35 9.080 -7.476 3.137 1.00 0.00 N ATOM 517 CA TYR A 35 8.746 -8.562 2.230 1.00 0.00 C ATOM 518 C TYR A 35 7.613 -8.125 1.297 1.00 0.00 C ATOM 519 O TYR A 35 6.617 -7.567 1.771 1.00 0.00 O ATOM 520 CB TYR A 35 8.333 -9.789 3.050 1.00 0.00 C ATOM 521 CG TYR A 35 9.497 -10.556 3.648 1.00 0.00 C ATOM 522 CD1 TYR A 35 10.162 -10.083 4.795 1.00 0.00 C ATOM 523 CD2 TYR A 35 9.952 -11.721 3.008 1.00 0.00 C ATOM 524 CE1 TYR A 35 11.307 -10.749 5.265 1.00 0.00 C ATOM 525 CE2 TYR A 35 11.081 -12.401 3.478 1.00 0.00 C ATOM 526 CZ TYR A 35 11.786 -11.901 4.597 1.00 0.00 C ATOM 527 OH TYR A 35 12.903 -12.520 5.059 1.00 0.00 O ATOM 0 H TYR A 35 8.313 -7.224 3.760 1.00 0.00 H new ATOM 0 HA TYR A 35 9.612 -8.819 1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.671 -9.469 3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.758 -10.461 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 35 9.793 -9.210 5.313 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.424 -12.096 2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 35 11.823 -10.380 6.139 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.413 -13.304 2.988 1.00 0.00 H new ATOM 0 HH TYR A 35 13.104 -13.296 4.495 1.00 0.00 H new ATOM 537 N TYR A 36 7.721 -8.412 0.001 1.00 0.00 N ATOM 538 CA TYR A 36 6.658 -8.301 -1.002 1.00 0.00 C ATOM 539 C TYR A 36 5.921 -9.644 -1.126 1.00 0.00 C ATOM 540 O TYR A 36 6.522 -10.698 -0.900 1.00 0.00 O ATOM 541 CB TYR A 36 7.292 -7.894 -2.342 1.00 0.00 C ATOM 542 CG TYR A 36 6.367 -7.818 -3.536 1.00 0.00 C ATOM 543 CD1 TYR A 36 6.176 -8.954 -4.343 1.00 0.00 C ATOM 544 CD2 TYR A 36 5.740 -6.607 -3.871 1.00 0.00 C ATOM 545 CE1 TYR A 36 5.340 -8.886 -5.467 1.00 0.00 C ATOM 546 CE2 TYR A 36 4.882 -6.532 -4.980 1.00 0.00 C ATOM 547 CZ TYR A 36 4.686 -7.675 -5.788 1.00 0.00 C ATOM 548 OH TYR A 36 3.909 -7.600 -6.905 1.00 0.00 O ATOM 0 H TYR A 36 8.597 -8.746 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 36 5.931 -7.545 -0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.763 -6.919 -2.214 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.087 -8.604 -2.572 1.00 0.00 H new ATOM 0 HD1 TYR A 36 6.674 -9.880 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.919 -5.727 -3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.196 -9.759 -6.087 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.375 -5.607 -5.214 1.00 0.00 H new ATOM 0 HH TYR A 36 3.521 -8.480 -7.094 1.00 0.00 H new ATOM 558 N ASP A 37 4.645 -9.639 -1.537 1.00 0.00 N ATOM 559 CA ASP A 37 3.913 -10.876 -1.840 1.00 0.00 C ATOM 560 C ASP A 37 3.255 -10.783 -3.227 1.00 0.00 C ATOM 561 O ASP A 37 2.781 -9.711 -3.615 1.00 0.00 O ATOM 562 CB ASP A 37 2.848 -11.125 -0.770 1.00 0.00 C ATOM 563 CG ASP A 37 2.085 -12.416 -1.036 1.00 0.00 C ATOM 564 OD1 ASP A 37 2.563 -13.500 -0.650 1.00 0.00 O ATOM 565 OD2 ASP A 37 1.044 -12.358 -1.729 1.00 0.00 O ATOM 0 H ASP A 37 4.097 -8.788 -1.667 1.00 0.00 H new ATOM 0 HA ASP A 37 4.617 -11.708 -1.844 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.320 -11.175 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.151 -10.287 -0.746 1.00 0.00 H new ATOM 570 N PRO A 38 3.181 -11.883 -3.999 1.00 0.00 N ATOM 571 CA PRO A 38 2.639 -11.854 -5.351 1.00 0.00 C ATOM 572 C PRO A 38 1.118 -11.692 -5.424 1.00 0.00 C ATOM 573 O PRO A 38 0.621 -11.248 -6.460 1.00 0.00 O ATOM 574 CB PRO A 38 3.073 -13.179 -5.991 1.00 0.00 C ATOM 575 CG PRO A 38 3.199 -14.099 -4.779 1.00 0.00 C ATOM 576 CD PRO A 38 3.816 -13.167 -3.754 1.00 0.00 C ATOM 0 HA PRO A 38 3.021 -10.977 -5.873 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.336 -13.546 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.017 -13.082 -6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.232 -14.484 -4.454 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.833 -14.962 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.629 -13.515 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.897 -13.104 -3.875 1.00 0.00 H new ATOM 584 N ASN A 39 0.347 -12.053 -4.396 1.00 0.00 N ATOM 585 CA ASN A 39 -1.054 -11.648 -4.297 1.00 0.00 C ATOM 586 C ASN A 39 -1.151 -10.268 -3.671 1.00 0.00 C ATOM 587 O ASN A 39 -2.088 -9.538 -3.980 1.00 0.00 O ATOM 588 CB ASN A 39 -1.869 -12.618 -3.429 1.00 0.00 C ATOM 589 CG ASN A 39 -2.731 -13.539 -4.253 1.00 0.00 C ATOM 590 OD1 ASN A 39 -3.958 -13.447 -4.247 1.00 0.00 O ATOM 591 ND2 ASN A 39 -2.111 -14.448 -4.973 1.00 0.00 N ATOM 0 H ASN A 39 0.672 -12.627 -3.618 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.459 -11.648 -5.309 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.190 -13.211 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.500 -12.048 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.649 -15.099 -5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.093 -14.502 -4.959 1.00 0.00 H new ATOM 598 N SER A 40 -0.223 -9.914 -2.783 1.00 0.00 N ATOM 599 CA SER A 40 -0.395 -8.803 -1.865 1.00 0.00 C ATOM 600 C SER A 40 0.784 -7.844 -1.953 1.00 0.00 C ATOM 601 O SER A 40 1.769 -7.944 -1.227 1.00 0.00 O ATOM 602 CB SER A 40 -0.686 -9.341 -0.461 1.00 0.00 C ATOM 603 OG SER A 40 -1.864 -10.130 -0.517 1.00 0.00 O ATOM 0 H SER A 40 0.671 -10.395 -2.684 1.00 0.00 H new ATOM 0 HA SER A 40 -1.261 -8.203 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.153 -9.938 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.815 -8.517 0.241 1.00 0.00 H new ATOM 0 HG SER A 40 -2.063 -10.484 0.375 1.00 0.00 H new ATOM 609 N GLN A 41 0.629 -6.829 -2.806 1.00 0.00 N ATOM 610 CA GLN A 41 1.532 -5.683 -2.867 1.00 0.00 C ATOM 611 C GLN A 41 1.519 -4.889 -1.540 1.00 0.00 C ATOM 612 O GLN A 41 2.326 -3.975 -1.353 1.00 0.00 O ATOM 613 CB GLN A 41 1.196 -4.781 -4.064 1.00 0.00 C ATOM 614 CG GLN A 41 1.300 -5.479 -5.428 1.00 0.00 C ATOM 615 CD GLN A 41 0.092 -6.343 -5.778 1.00 0.00 C ATOM 616 OE1 GLN A 41 -0.979 -5.838 -6.101 1.00 0.00 O ATOM 617 NE2 GLN A 41 0.213 -7.661 -5.703 1.00 0.00 N ATOM 0 H GLN A 41 -0.135 -6.781 -3.480 1.00 0.00 H new ATOM 0 HA GLN A 41 2.544 -6.061 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.183 -4.396 -3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.866 -3.922 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.429 -4.723 -6.202 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.194 -6.102 -5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.105 -8.077 -5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.586 -8.259 -5.914 1.00 0.00 H new ATOM 626 N TYR A 42 0.642 -5.249 -0.598 1.00 0.00 N ATOM 627 CA TYR A 42 0.729 -4.922 0.813 1.00 0.00 C ATOM 628 C TYR A 42 1.998 -5.581 1.358 1.00 0.00 C ATOM 629 O TYR A 42 2.003 -6.766 1.668 1.00 0.00 O ATOM 630 CB TYR A 42 -0.564 -5.377 1.533 1.00 0.00 C ATOM 631 CG TYR A 42 -1.814 -4.806 0.896 1.00 0.00 C ATOM 632 CD1 TYR A 42 -1.921 -3.420 0.671 1.00 0.00 C ATOM 633 CD2 TYR A 42 -2.861 -5.656 0.504 1.00 0.00 C ATOM 634 CE1 TYR A 42 -3.070 -2.877 0.073 1.00 0.00 C ATOM 635 CE2 TYR A 42 -4.005 -5.117 -0.106 1.00 0.00 C ATOM 636 CZ TYR A 42 -4.126 -3.728 -0.318 1.00 0.00 C ATOM 637 OH TYR A 42 -5.236 -3.219 -0.915 1.00 0.00 O ATOM 0 H TYR A 42 -0.185 -5.803 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 42 0.803 -3.848 0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.619 -6.466 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.521 -5.071 2.578 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.111 -2.768 0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -2.786 -6.720 0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.145 -1.812 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.803 -5.775 -0.417 1.00 0.00 H new ATOM 0 HH TYR A 42 -5.861 -3.946 -1.118 1.00 0.00 H new ATOM 647 N TYR A 43 3.076 -4.803 1.457 1.00 0.00 N ATOM 648 CA TYR A 43 4.375 -5.192 1.988 1.00 0.00 C ATOM 649 C TYR A 43 4.279 -5.607 3.454 1.00 0.00 C ATOM 650 O TYR A 43 3.483 -5.044 4.207 1.00 0.00 O ATOM 651 CB TYR A 43 5.318 -3.980 1.917 1.00 0.00 C ATOM 652 CG TYR A 43 5.817 -3.627 0.544 1.00 0.00 C ATOM 653 CD1 TYR A 43 5.063 -2.829 -0.333 1.00 0.00 C ATOM 654 CD2 TYR A 43 7.043 -4.146 0.128 1.00 0.00 C ATOM 655 CE1 TYR A 43 5.536 -2.520 -1.622 1.00 0.00 C ATOM 656 CE2 TYR A 43 7.507 -3.857 -1.155 1.00 0.00 C ATOM 657 CZ TYR A 43 6.792 -3.019 -2.027 1.00 0.00 C ATOM 658 OH TYR A 43 7.338 -2.676 -3.223 1.00 0.00 O ATOM 0 H TYR A 43 3.061 -3.830 1.150 1.00 0.00 H new ATOM 0 HA TYR A 43 4.741 -6.033 1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.800 -3.114 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.178 -4.173 2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.105 -2.447 -0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.627 -4.765 0.793 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.947 -1.910 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.440 -4.288 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 43 8.207 -3.118 -3.325 1.00 0.00 H new ATOM 668 N TYR A 44 5.229 -6.402 3.936 1.00 0.00 N ATOM 669 CA TYR A 44 5.353 -6.806 5.328 1.00 0.00 C ATOM 670 C TYR A 44 6.656 -6.244 5.888 1.00 0.00 C ATOM 671 O TYR A 44 7.750 -6.640 5.499 1.00 0.00 O ATOM 672 CB TYR A 44 5.258 -8.324 5.429 1.00 0.00 C ATOM 673 CG TYR A 44 5.706 -8.892 6.759 1.00 0.00 C ATOM 674 CD1 TYR A 44 5.171 -8.386 7.960 1.00 0.00 C ATOM 675 CD2 TYR A 44 6.668 -9.921 6.790 1.00 0.00 C ATOM 676 CE1 TYR A 44 5.582 -8.940 9.181 1.00 0.00 C ATOM 677 CE2 TYR A 44 7.052 -10.502 8.012 1.00 0.00 C ATOM 678 CZ TYR A 44 6.496 -10.012 9.212 1.00 0.00 C ATOM 679 OH TYR A 44 6.791 -10.563 10.418 1.00 0.00 O ATOM 0 H TYR A 44 5.960 -6.796 3.344 1.00 0.00 H new ATOM 0 HA TYR A 44 4.539 -6.403 5.931 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.226 -8.624 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.861 -8.767 4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.452 -7.580 7.941 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.114 -10.266 5.869 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.194 -8.541 10.107 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.764 -11.314 8.031 1.00 0.00 H new ATOM 0 HH TYR A 44 7.433 -11.293 10.296 1.00 0.00 H new ATOM 689 N ASN A 45 6.533 -5.246 6.759 1.00 0.00 N ATOM 690 CA ASN A 45 7.608 -4.577 7.473 1.00 0.00 C ATOM 691 C ASN A 45 7.792 -5.343 8.772 1.00 0.00 C ATOM 692 O ASN A 45 7.343 -4.899 9.833 1.00 0.00 O ATOM 693 CB ASN A 45 7.249 -3.104 7.731 1.00 0.00 C ATOM 694 CG ASN A 45 8.306 -2.412 8.575 1.00 0.00 C ATOM 695 OD1 ASN A 45 9.494 -2.501 8.294 1.00 0.00 O ATOM 696 ND2 ASN A 45 7.915 -1.671 9.593 1.00 0.00 N ATOM 0 H ASN A 45 5.619 -4.861 6.998 1.00 0.00 H new ATOM 0 HA ASN A 45 8.533 -4.570 6.896 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.143 -2.582 6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.284 -3.047 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.604 -1.168 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.923 -1.601 9.822 1.00 0.00 H new ATOM 703 N ALA A 46 8.421 -6.515 8.677 1.00 0.00 N ATOM 704 CA ALA A 46 8.723 -7.392 9.802 1.00 0.00 C ATOM 705 C ALA A 46 9.373 -6.620 10.954 1.00 0.00 C ATOM 706 O ALA A 46 9.127 -6.947 12.112 1.00 0.00 O ATOM 707 CB ALA A 46 9.694 -8.481 9.341 1.00 0.00 C ATOM 0 H ALA A 46 8.744 -6.889 7.785 1.00 0.00 H new ATOM 0 HA ALA A 46 7.787 -7.825 10.154 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.924 -9.141 10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.237 -9.059 8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.613 -8.020 8.979 1.00 0.00 H new ATOM 713 N GLN A 47 10.131 -5.564 10.630 1.00 0.00 N ATOM 714 CA GLN A 47 10.830 -4.665 11.530 1.00 0.00 C ATOM 715 C GLN A 47 9.970 -4.235 12.713 1.00 0.00 C ATOM 716 O GLN A 47 10.475 -4.161 13.830 1.00 0.00 O ATOM 717 CB GLN A 47 11.313 -3.441 10.732 1.00 0.00 C ATOM 718 CG GLN A 47 12.724 -3.070 11.167 1.00 0.00 C ATOM 719 CD GLN A 47 13.201 -1.750 10.558 1.00 0.00 C ATOM 720 OE1 GLN A 47 13.425 -0.763 11.259 1.00 0.00 O ATOM 721 NE2 GLN A 47 13.357 -1.690 9.247 1.00 0.00 N ATOM 0 H GLN A 47 10.276 -5.305 9.654 1.00 0.00 H new ATOM 0 HA GLN A 47 11.682 -5.198 11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.297 -3.661 9.665 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.639 -2.600 10.894 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.757 -2.997 12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.410 -3.867 10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.169 -2.512 8.673 1.00 0.00 H new ATOM 0 HE22 GLN A 47 13.665 -0.822 8.809 1.00 0.00 H new ATOM 730 N SER A 48 8.684 -3.983 12.475 1.00 0.00 N ATOM 731 CA SER A 48 7.701 -3.643 13.489 1.00 0.00 C ATOM 732 C SER A 48 6.416 -4.454 13.271 1.00 0.00 C ATOM 733 O SER A 48 5.332 -4.046 13.686 1.00 0.00 O ATOM 734 CB SER A 48 7.466 -2.134 13.418 1.00 0.00 C ATOM 735 OG SER A 48 8.700 -1.465 13.581 1.00 0.00 O ATOM 0 H SER A 48 8.289 -4.012 11.535 1.00 0.00 H new ATOM 0 HA SER A 48 8.055 -3.896 14.488 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.018 -1.868 12.461 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.766 -1.826 14.194 1.00 0.00 H new ATOM 0 HG SER A 48 8.556 -0.497 13.535 1.00 0.00 H new ATOM 741 N GLN A 49 6.530 -5.564 12.536 1.00 0.00 N ATOM 742 CA GLN A 49 5.477 -6.371 11.934 1.00 0.00 C ATOM 743 C GLN A 49 4.397 -5.569 11.180 1.00 0.00 C ATOM 744 O GLN A 49 3.318 -6.103 10.932 1.00 0.00 O ATOM 745 CB GLN A 49 4.894 -7.350 12.972 1.00 0.00 C ATOM 746 CG GLN A 49 5.966 -8.242 13.617 1.00 0.00 C ATOM 747 CD GLN A 49 5.355 -9.293 14.540 1.00 0.00 C ATOM 748 OE1 GLN A 49 5.174 -10.450 14.164 1.00 0.00 O ATOM 749 NE2 GLN A 49 5.016 -8.921 15.762 1.00 0.00 N ATOM 0 H GLN A 49 7.451 -5.952 12.331 1.00 0.00 H new ATOM 0 HA GLN A 49 5.949 -6.953 11.142 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.382 -6.784 13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.146 -7.979 12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.544 -8.737 12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.661 -7.622 14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.171 -7.959 16.064 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.600 -9.596 16.404 1.00 0.00 H new ATOM 758 N GLN A 50 4.647 -4.309 10.811 1.00 0.00 N ATOM 759 CA GLN A 50 3.642 -3.469 10.172 1.00 0.00 C ATOM 760 C GLN A 50 3.448 -3.841 8.709 1.00 0.00 C ATOM 761 O GLN A 50 4.240 -4.574 8.117 1.00 0.00 O ATOM 762 CB GLN A 50 3.959 -1.976 10.353 1.00 0.00 C ATOM 763 CG GLN A 50 3.861 -1.498 11.811 1.00 0.00 C ATOM 764 CD GLN A 50 2.607 -2.023 12.512 1.00 0.00 C ATOM 765 OE1 GLN A 50 1.515 -1.475 12.402 1.00 0.00 O ATOM 766 NE2 GLN A 50 2.721 -3.143 13.202 1.00 0.00 N ATOM 0 H GLN A 50 5.547 -3.849 10.948 1.00 0.00 H new ATOM 0 HA GLN A 50 2.692 -3.655 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.965 -1.779 9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.273 -1.391 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.745 -1.826 12.359 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.858 -0.408 11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.630 -3.596 13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.900 -3.555 13.645 1.00 0.00 H new ATOM 775 N TYR A 51 2.370 -3.327 8.129 1.00 0.00 N ATOM 776 CA TYR A 51 1.963 -3.583 6.761 1.00 0.00 C ATOM 777 C TYR A 51 1.970 -2.225 6.048 1.00 0.00 C ATOM 778 O TYR A 51 1.351 -1.276 6.530 1.00 0.00 O ATOM 779 CB TYR A 51 0.608 -4.301 6.729 1.00 0.00 C ATOM 780 CG TYR A 51 0.721 -5.803 6.960 1.00 0.00 C ATOM 781 CD1 TYR A 51 1.262 -6.301 8.158 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.342 -6.712 5.956 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.423 -7.680 8.368 1.00 0.00 C ATOM 784 CE2 TYR A 51 0.483 -8.099 6.158 1.00 0.00 C ATOM 785 CZ TYR A 51 1.028 -8.591 7.365 1.00 0.00 C ATOM 786 OH TYR A 51 1.161 -9.932 7.568 1.00 0.00 O ATOM 0 H TYR A 51 1.735 -2.698 8.620 1.00 0.00 H new ATOM 0 HA TYR A 51 2.643 -4.258 6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.043 -3.870 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.132 -4.123 5.765 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.560 -5.609 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.060 -6.344 5.024 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.847 -8.042 9.293 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.173 -8.789 5.387 1.00 0.00 H new ATOM 0 HH TYR A 51 0.841 -10.416 6.778 1.00 0.00 H new ATOM 796 N LEU A 52 2.713 -2.093 4.946 1.00 0.00 N ATOM 797 CA LEU A 52 2.899 -0.870 4.163 1.00 0.00 C ATOM 798 C LEU A 52 2.509 -1.104 2.705 1.00 0.00 C ATOM 799 O LEU A 52 2.401 -2.246 2.269 1.00 0.00 O ATOM 800 CB LEU A 52 4.372 -0.437 4.191 1.00 0.00 C ATOM 801 CG LEU A 52 5.018 -0.345 5.584 1.00 0.00 C ATOM 802 CD1 LEU A 52 6.523 -0.210 5.395 1.00 0.00 C ATOM 803 CD2 LEU A 52 4.617 0.896 6.364 1.00 0.00 C ATOM 0 H LEU A 52 3.229 -2.881 4.555 1.00 0.00 H new ATOM 0 HA LEU A 52 2.268 -0.097 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.949 -1.140 3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.454 0.537 3.709 1.00 0.00 H new ATOM 0 HG LEU A 52 4.698 -1.234 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.007 -0.143 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.902 -1.081 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.738 0.691 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.112 0.891 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.915 1.786 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.536 0.902 6.507 1.00 0.00 H new ATOM 815 N TYR A 53 2.379 -0.054 1.906 1.00 0.00 N ATOM 816 CA TYR A 53 2.331 -0.143 0.462 1.00 0.00 C ATOM 817 C TYR A 53 3.251 0.929 -0.112 1.00 0.00 C ATOM 818 O TYR A 53 3.456 1.988 0.488 1.00 0.00 O ATOM 819 CB TYR A 53 0.892 -0.102 -0.063 1.00 0.00 C ATOM 820 CG TYR A 53 0.184 1.234 0.002 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.190 1.813 1.232 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.107 1.902 -1.198 1.00 0.00 C ATOM 823 CE1 TYR A 53 -0.823 3.064 1.272 1.00 0.00 C ATOM 824 CE2 TYR A 53 -0.722 3.158 -1.171 1.00 0.00 C ATOM 825 CZ TYR A 53 -1.044 3.768 0.059 1.00 0.00 C ATOM 826 OH TYR A 53 -1.518 5.043 0.047 1.00 0.00 O ATOM 0 H TYR A 53 2.303 0.901 2.256 1.00 0.00 H new ATOM 0 HA TYR A 53 2.701 -1.110 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.899 -0.434 -1.101 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.304 -0.827 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.013 1.287 2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.144 1.445 -2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.139 3.487 2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.952 3.663 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.300 5.465 -0.810 1.00 0.00 H new ATOM 836 N TRP A 54 3.829 0.625 -1.270 1.00 0.00 N ATOM 837 CA TRP A 54 4.516 1.588 -2.112 1.00 0.00 C ATOM 838 C TRP A 54 3.433 2.485 -2.706 1.00 0.00 C ATOM 839 O TRP A 54 2.453 1.956 -3.242 1.00 0.00 O ATOM 840 CB TRP A 54 5.272 0.808 -3.203 1.00 0.00 C ATOM 841 CG TRP A 54 5.800 1.621 -4.339 1.00 0.00 C ATOM 842 CD1 TRP A 54 5.482 1.479 -5.646 1.00 0.00 C ATOM 843 CD2 TRP A 54 6.746 2.719 -4.282 1.00 0.00 C ATOM 844 NE1 TRP A 54 6.137 2.439 -6.390 1.00 0.00 N ATOM 845 CE2 TRP A 54 6.919 3.249 -5.594 1.00 0.00 C ATOM 846 CE3 TRP A 54 7.468 3.317 -3.237 1.00 0.00 C ATOM 847 CZ2 TRP A 54 7.758 4.345 -5.844 1.00 0.00 C ATOM 848 CZ3 TRP A 54 8.305 4.412 -3.476 1.00 0.00 C ATOM 849 CH2 TRP A 54 8.459 4.924 -4.774 1.00 0.00 C ATOM 0 H TRP A 54 3.831 -0.320 -1.654 1.00 0.00 H new ATOM 0 HA TRP A 54 5.239 2.197 -1.570 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.107 0.286 -2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.605 0.046 -3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 54 4.817 0.728 -6.046 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.053 2.537 -7.402 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.376 2.926 -2.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.863 4.738 -6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.838 4.868 -2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.116 5.763 -4.949 1.00 0.00 H new ATOM 860 N ASP A 55 3.574 3.812 -2.641 1.00 0.00 N ATOM 861 CA ASP A 55 2.622 4.713 -3.294 1.00 0.00 C ATOM 862 C ASP A 55 3.355 5.617 -4.267 1.00 0.00 C ATOM 863 O ASP A 55 3.853 6.679 -3.891 1.00 0.00 O ATOM 864 CB ASP A 55 1.747 5.500 -2.306 1.00 0.00 C ATOM 865 CG ASP A 55 0.464 6.008 -2.969 1.00 0.00 C ATOM 866 OD1 ASP A 55 0.464 6.173 -4.211 1.00 0.00 O ATOM 867 OD2 ASP A 55 -0.557 6.145 -2.249 1.00 0.00 O ATOM 0 H ASP A 55 4.332 4.283 -2.147 1.00 0.00 H new ATOM 0 HA ASP A 55 1.917 4.097 -3.853 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.492 4.864 -1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.312 6.344 -1.912 1.00 0.00 H new ATOM 872 N GLY A 56 3.439 5.186 -5.523 1.00 0.00 N ATOM 873 CA GLY A 56 4.127 5.898 -6.579 1.00 0.00 C ATOM 874 C GLY A 56 3.571 7.299 -6.835 1.00 0.00 C ATOM 875 O GLY A 56 4.250 8.067 -7.514 1.00 0.00 O ATOM 0 H GLY A 56 3.018 4.311 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.184 5.977 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.063 5.317 -7.499 1.00 0.00 H new ATOM 879 N GLU A 57 2.396 7.670 -6.305 1.00 0.00 N ATOM 880 CA GLU A 57 1.920 9.051 -6.441 1.00 0.00 C ATOM 881 C GLU A 57 2.766 10.022 -5.608 1.00 0.00 C ATOM 882 O GLU A 57 2.747 11.229 -5.828 1.00 0.00 O ATOM 883 CB GLU A 57 0.465 9.153 -5.973 1.00 0.00 C ATOM 884 CG GLU A 57 -0.496 8.355 -6.857 1.00 0.00 C ATOM 885 CD GLU A 57 -1.961 8.729 -6.628 1.00 0.00 C ATOM 886 OE1 GLU A 57 -2.419 8.884 -5.474 1.00 0.00 O ATOM 887 OE2 GLU A 57 -2.711 8.832 -7.632 1.00 0.00 O ATOM 0 H GLU A 57 1.772 7.049 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 57 2.003 9.321 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.392 8.794 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.162 10.200 -5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.243 8.522 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.363 7.291 -6.662 1.00 0.00 H new ATOM 894 N ARG A 58 3.469 9.508 -4.599 1.00 0.00 N ATOM 895 CA ARG A 58 4.136 10.248 -3.533 1.00 0.00 C ATOM 896 C ARG A 58 5.560 9.716 -3.288 1.00 0.00 C ATOM 897 O ARG A 58 6.298 10.251 -2.458 1.00 0.00 O ATOM 898 CB ARG A 58 3.220 10.136 -2.308 1.00 0.00 C ATOM 899 CG ARG A 58 1.875 10.846 -2.519 1.00 0.00 C ATOM 900 CD ARG A 58 0.907 10.550 -1.370 1.00 0.00 C ATOM 901 NE ARG A 58 -0.330 11.333 -1.489 1.00 0.00 N ATOM 902 CZ ARG A 58 -1.312 11.129 -2.378 1.00 0.00 C ATOM 903 NH1 ARG A 58 -1.328 10.037 -3.144 1.00 0.00 N ATOM 904 NH2 ARG A 58 -2.266 12.037 -2.501 1.00 0.00 N ATOM 0 H ARG A 58 3.594 8.501 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 58 4.283 11.297 -3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.042 9.084 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.723 10.565 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.036 11.921 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.434 10.523 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.666 9.487 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.390 10.775 -0.419 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.453 12.105 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.586 9.343 -3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.082 9.896 -3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.247 12.878 -1.924 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.020 11.896 -3.173 1.00 0.00 H new ATOM 918 N ARG A 59 5.951 8.694 -4.061 1.00 0.00 N ATOM 919 CA ARG A 59 7.261 8.049 -4.144 1.00 0.00 C ATOM 920 C ARG A 59 7.869 7.779 -2.772 1.00 0.00 C ATOM 921 O ARG A 59 9.037 8.076 -2.535 1.00 0.00 O ATOM 922 CB ARG A 59 8.229 8.772 -5.105 1.00 0.00 C ATOM 923 CG ARG A 59 7.740 8.924 -6.560 1.00 0.00 C ATOM 924 CD ARG A 59 6.832 10.145 -6.786 1.00 0.00 C ATOM 925 NE ARG A 59 6.465 10.321 -8.203 1.00 0.00 N ATOM 926 CZ ARG A 59 5.555 11.198 -8.652 1.00 0.00 C ATOM 927 NH1 ARG A 59 4.958 12.045 -7.823 1.00 0.00 N ATOM 928 NH2 ARG A 59 5.238 11.227 -9.940 1.00 0.00 N ATOM 0 H ARG A 59 5.291 8.259 -4.705 1.00 0.00 H new ATOM 0 HA ARG A 59 7.087 7.070 -4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.434 9.765 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.175 8.230 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.606 9.000 -7.218 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.199 8.023 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.926 10.035 -6.190 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.340 11.042 -6.431 1.00 0.00 H new ATOM 0 HE ARG A 59 6.937 9.734 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.189 12.035 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.268 12.706 -8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.687 10.582 -10.590 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.546 11.895 -10.280 1.00 0.00 H new ATOM 942 N THR A 60 7.107 7.201 -1.861 1.00 0.00 N ATOM 943 CA THR A 60 7.575 6.729 -0.573 1.00 0.00 C ATOM 944 C THR A 60 6.804 5.438 -0.246 1.00 0.00 C ATOM 945 O THR A 60 6.063 4.897 -1.073 1.00 0.00 O ATOM 946 CB THR A 60 7.477 7.866 0.475 1.00 0.00 C ATOM 947 OG1 THR A 60 8.141 7.491 1.666 1.00 0.00 O ATOM 948 CG2 THR A 60 6.062 8.330 0.838 1.00 0.00 C ATOM 0 H THR A 60 6.110 7.042 -2.004 1.00 0.00 H new ATOM 0 HA THR A 60 8.633 6.466 -0.573 1.00 0.00 H new ATOM 0 HB THR A 60 7.953 8.715 -0.016 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.958 6.998 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.119 9.127 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.560 8.701 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.499 7.492 1.249 1.00 0.00 H new ATOM 956 N TYR A 61 7.009 4.901 0.953 1.00 0.00 N ATOM 957 CA TYR A 61 6.214 3.814 1.509 1.00 0.00 C ATOM 958 C TYR A 61 5.320 4.422 2.579 1.00 0.00 C ATOM 959 O TYR A 61 5.776 5.231 3.392 1.00 0.00 O ATOM 960 CB TYR A 61 7.116 2.716 2.088 1.00 0.00 C ATOM 961 CG TYR A 61 7.968 1.981 1.065 1.00 0.00 C ATOM 962 CD1 TYR A 61 9.115 2.600 0.528 1.00 0.00 C ATOM 963 CD2 TYR A 61 7.634 0.669 0.671 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.921 1.910 -0.391 1.00 0.00 C ATOM 965 CE2 TYR A 61 8.450 -0.029 -0.237 1.00 0.00 C ATOM 966 CZ TYR A 61 9.604 0.588 -0.765 1.00 0.00 C ATOM 967 OH TYR A 61 10.454 -0.079 -1.587 1.00 0.00 O ATOM 0 H TYR A 61 7.750 5.218 1.578 1.00 0.00 H new ATOM 0 HA TYR A 61 5.611 3.338 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.774 3.162 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.491 1.990 2.608 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.374 3.606 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.747 0.198 1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.789 2.394 -0.814 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.194 -1.036 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 61 10.106 -0.979 -1.757 1.00 0.00 H new ATOM 977 N VAL A 62 4.053 4.025 2.577 1.00 0.00 N ATOM 978 CA VAL A 62 3.022 4.444 3.517 1.00 0.00 C ATOM 979 C VAL A 62 2.384 3.209 4.144 1.00 0.00 C ATOM 980 O VAL A 62 2.438 2.146 3.538 1.00 0.00 O ATOM 981 CB VAL A 62 1.971 5.317 2.807 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.284 6.796 3.001 1.00 0.00 C ATOM 983 CG2 VAL A 62 1.842 5.064 1.296 1.00 0.00 C ATOM 0 H VAL A 62 3.699 3.367 1.882 1.00 0.00 H new ATOM 0 HA VAL A 62 3.469 5.047 4.307 1.00 0.00 H new ATOM 0 HB VAL A 62 1.025 5.036 3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.530 7.397 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.279 7.032 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.267 7.018 2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.079 5.723 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.797 5.264 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.558 4.026 1.124 1.00 0.00 H new ATOM 993 N PRO A 63 1.763 3.315 5.328 1.00 0.00 N ATOM 994 CA PRO A 63 1.136 2.165 5.955 1.00 0.00 C ATOM 995 C PRO A 63 -0.135 1.738 5.198 1.00 0.00 C ATOM 996 O PRO A 63 -0.915 2.568 4.723 1.00 0.00 O ATOM 997 CB PRO A 63 0.885 2.602 7.399 1.00 0.00 C ATOM 998 CG PRO A 63 0.742 4.121 7.312 1.00 0.00 C ATOM 999 CD PRO A 63 1.692 4.491 6.178 1.00 0.00 C ATOM 0 HA PRO A 63 1.759 1.271 5.932 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.015 2.140 7.804 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.711 2.316 8.051 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.284 4.418 7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.021 4.607 8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.323 5.354 5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.677 4.757 6.563 1.00 0.00 H new ATOM 1007 N ALA A 64 -0.370 0.428 5.095 1.00 0.00 N ATOM 1008 CA ALA A 64 -1.490 -0.185 4.369 1.00 0.00 C ATOM 1009 C ALA A 64 -2.451 -0.901 5.330 1.00 0.00 C ATOM 1010 O ALA A 64 -2.949 -1.985 5.030 1.00 0.00 O ATOM 1011 CB ALA A 64 -0.970 -1.149 3.303 1.00 0.00 C ATOM 0 H ALA A 64 0.238 -0.265 5.532 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.048 0.610 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.812 -1.595 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.344 -0.606 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.383 -1.935 3.778 1.00 0.00 H new ATOM 1017 N LEU A 65 -2.674 -0.311 6.504 1.00 0.00 N ATOM 1018 CA LEU A 65 -3.451 -0.917 7.593 1.00 0.00 C ATOM 1019 C LEU A 65 -4.921 -1.091 7.218 1.00 0.00 C ATOM 1020 O LEU A 65 -5.556 -2.053 7.645 1.00 0.00 O ATOM 1021 CB LEU A 65 -3.349 -0.033 8.846 1.00 0.00 C ATOM 1022 CG LEU A 65 -2.136 -0.327 9.754 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -2.468 -1.466 10.720 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -0.829 -0.684 9.033 1.00 0.00 C ATOM 0 H LEU A 65 -2.316 0.616 6.732 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.035 -1.906 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.306 1.010 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.260 -0.153 9.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.954 0.618 10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.606 -1.666 11.356 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.318 -1.181 11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.716 -2.363 10.153 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.047 -0.870 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.979 -1.579 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.531 0.143 8.388 1.00 0.00 H new ATOM 1036 N GLU A 66 -5.437 -0.144 6.439 1.00 0.00 N ATOM 1037 CA GLU A 66 -6.759 -0.070 5.836 1.00 0.00 C ATOM 1038 C GLU A 66 -6.673 1.154 4.899 1.00 0.00 C ATOM 1039 O GLU A 66 -5.848 2.048 5.131 1.00 0.00 O ATOM 1040 CB GLU A 66 -7.817 0.154 6.939 1.00 0.00 C ATOM 1041 CG GLU A 66 -8.904 -0.934 6.992 1.00 0.00 C ATOM 1042 CD GLU A 66 -9.815 -0.845 8.230 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -9.402 -0.259 9.259 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -10.958 -1.358 8.196 1.00 0.00 O ATOM 0 H GLU A 66 -4.879 0.673 6.191 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.045 -0.977 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.315 0.200 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.293 1.122 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.519 -0.864 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.425 -1.913 6.975 1.00 0.00 H new ATOM 1051 N GLN A 67 -7.497 1.235 3.850 1.00 0.00 N ATOM 1052 CA GLN A 67 -7.775 2.452 3.064 1.00 0.00 C ATOM 1053 C GLN A 67 -9.148 2.384 2.356 1.00 0.00 C ATOM 1054 O GLN A 67 -9.404 3.182 1.446 1.00 0.00 O ATOM 1055 CB GLN A 67 -6.672 2.791 2.018 1.00 0.00 C ATOM 1056 CG GLN A 67 -5.346 3.317 2.585 1.00 0.00 C ATOM 1057 CD GLN A 67 -4.579 4.229 1.626 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -4.099 5.291 2.024 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -4.420 3.852 0.365 1.00 0.00 N ATOM 0 H GLN A 67 -8.012 0.424 3.507 1.00 0.00 H new ATOM 0 HA GLN A 67 -7.786 3.256 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -6.464 1.894 1.435 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.070 3.535 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.548 3.863 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.713 2.469 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.820 2.971 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.898 4.443 -0.282 1.00 0.00 H new ATOM 1068 N SER A 68 -10.032 1.446 2.713 1.00 0.00 N ATOM 1069 CA SER A 68 -11.329 1.287 2.058 1.00 0.00 C ATOM 1070 C SER A 68 -12.417 1.151 3.116 1.00 0.00 C ATOM 1071 O SER A 68 -12.923 0.061 3.385 1.00 0.00 O ATOM 1072 CB SER A 68 -11.300 0.153 1.024 1.00 0.00 C ATOM 1073 OG SER A 68 -10.376 -0.883 1.313 1.00 0.00 O ATOM 0 H SER A 68 -9.866 0.777 3.465 1.00 0.00 H new ATOM 0 HA SER A 68 -11.567 2.178 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 68 -12.298 -0.278 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.060 0.575 0.048 1.00 0.00 H new ATOM 0 HG SER A 68 -10.181 -1.385 0.494 1.00 0.00 H new ATOM 1079 N ALA A 69 -12.793 2.291 3.692 1.00 0.00 N ATOM 1080 CA ALA A 69 -13.591 2.406 4.904 1.00 0.00 C ATOM 1081 C ALA A 69 -12.871 1.731 6.077 1.00 0.00 C ATOM 1082 O ALA A 69 -11.654 1.541 6.046 1.00 0.00 O ATOM 1083 CB ALA A 69 -15.035 1.921 4.683 1.00 0.00 C ATOM 0 H ALA A 69 -12.536 3.200 3.306 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.692 3.458 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -15.599 2.023 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.505 2.522 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -15.025 0.875 4.377 1.00 0.00 H new ATOM 1089 N ASP A 70 -13.610 1.529 7.163 1.00 0.00 N ATOM 1090 CA ASP A 70 -13.130 1.175 8.492 1.00 0.00 C ATOM 1091 C ASP A 70 -14.270 0.435 9.187 1.00 0.00 C ATOM 1092 O ASP A 70 -15.369 0.997 9.269 1.00 0.00 O ATOM 1093 CB ASP A 70 -12.808 2.476 9.233 1.00 0.00 C ATOM 1094 CG ASP A 70 -12.573 2.274 10.725 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -11.946 1.278 11.134 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -13.007 3.147 11.510 1.00 0.00 O ATOM 0 H ASP A 70 -14.626 1.614 7.135 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.238 0.549 8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.921 2.929 8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.629 3.179 9.093 1.00 0.00 H new ATOM 1101 N GLY A 71 -14.144 -0.851 9.531 1.00 0.00 N ATOM 1102 CA GLY A 71 -15.258 -1.586 10.134 1.00 0.00 C ATOM 1103 C GLY A 71 -15.216 -3.095 9.913 1.00 0.00 C ATOM 1104 O GLY A 71 -14.164 -3.633 9.587 1.00 0.00 O ATOM 0 H GLY A 71 -13.292 -1.398 9.404 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.268 -1.389 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.193 -1.199 9.730 1.00 0.00 H new ATOM 1108 N HIS A 72 -16.348 -3.779 10.138 1.00 0.00 N ATOM 1109 CA HIS A 72 -16.490 -5.239 10.294 1.00 0.00 C ATOM 1110 C HIS A 72 -16.010 -6.141 9.141 1.00 0.00 C ATOM 1111 O HIS A 72 -16.143 -7.364 9.225 1.00 0.00 O ATOM 1112 CB HIS A 72 -17.912 -5.648 10.716 1.00 0.00 C ATOM 1113 CG HIS A 72 -18.909 -5.522 9.601 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -19.567 -6.526 8.927 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -19.197 -4.348 8.989 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -20.277 -5.952 7.943 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -20.087 -4.614 7.937 1.00 0.00 N ATOM 0 H HIS A 72 -17.245 -3.300 10.221 1.00 0.00 H new ATOM 0 HA HIS A 72 -15.776 -5.430 11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -17.898 -6.679 11.070 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -18.230 -5.027 11.554 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -18.810 -3.378 9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -20.912 -6.486 7.252 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -20.505 -3.937 7.299 1.00 0.00 H new ATOM 1125 N LYS A 73 -15.506 -5.574 8.050 1.00 0.00 N ATOM 1126 CA LYS A 73 -15.012 -6.326 6.907 1.00 0.00 C ATOM 1127 C LYS A 73 -13.587 -6.797 7.191 1.00 0.00 C ATOM 1128 O LYS A 73 -13.062 -6.603 8.287 1.00 0.00 O ATOM 1129 CB LYS A 73 -15.088 -5.426 5.671 1.00 0.00 C ATOM 1130 CG LYS A 73 -16.546 -5.118 5.296 1.00 0.00 C ATOM 1131 CD LYS A 73 -16.601 -4.117 4.139 1.00 0.00 C ATOM 1132 CE LYS A 73 -16.345 -2.705 4.653 1.00 0.00 C ATOM 1133 NZ LYS A 73 -17.550 -2.141 5.285 1.00 0.00 N ATOM 0 H LYS A 73 -15.429 -4.563 7.935 1.00 0.00 H new ATOM 0 HA LYS A 73 -15.618 -7.213 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.555 -4.495 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.589 -5.912 4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.057 -6.038 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.073 -4.713 6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.857 -4.378 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.576 -4.164 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.527 -2.720 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.031 -2.066 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.396 -1.133 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.361 -2.245 4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.745 -2.646 6.173 1.00 0.00 H new ATOM 1147 N GLU A 74 -12.957 -7.421 6.204 1.00 0.00 N ATOM 1148 CA GLU A 74 -11.509 -7.548 6.144 1.00 0.00 C ATOM 1149 C GLU A 74 -10.873 -6.149 6.032 1.00 0.00 C ATOM 1150 O GLU A 74 -11.565 -5.128 5.954 1.00 0.00 O ATOM 1151 CB GLU A 74 -11.096 -8.421 4.937 1.00 0.00 C ATOM 1152 CG GLU A 74 -11.822 -9.772 4.806 1.00 0.00 C ATOM 1153 CD GLU A 74 -13.019 -9.739 3.849 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -13.883 -8.841 3.971 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -13.160 -10.673 3.019 1.00 0.00 O ATOM 0 H GLU A 74 -13.441 -7.856 5.418 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.155 -8.031 7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.265 -7.849 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.024 -8.611 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.112 -10.524 4.460 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.165 -10.087 5.792 1.00 0.00 H new ATOM 1162 N THR A 75 -9.543 -6.127 5.935 1.00 0.00 N ATOM 1163 CA THR A 75 -8.653 -4.982 5.733 1.00 0.00 C ATOM 1164 C THR A 75 -9.056 -4.044 4.581 1.00 0.00 C ATOM 1165 O THR A 75 -8.506 -2.946 4.453 1.00 0.00 O ATOM 1166 CB THR A 75 -7.250 -5.532 5.403 1.00 0.00 C ATOM 1167 OG1 THR A 75 -7.041 -6.863 5.863 1.00 0.00 O ATOM 1168 CG2 THR A 75 -6.149 -4.687 6.037 1.00 0.00 C ATOM 0 H THR A 75 -9.010 -6.994 6.002 1.00 0.00 H new ATOM 0 HA THR A 75 -8.697 -4.394 6.650 1.00 0.00 H new ATOM 0 HB THR A 75 -7.203 -5.504 4.314 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.137 -7.154 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.176 -5.106 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.213 -3.665 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.270 -4.685 7.120 1.00 0.00 H new ATOM 1176 N GLY A 76 -9.965 -4.466 3.702 1.00 0.00 N ATOM 1177 CA GLY A 76 -10.392 -3.656 2.595 1.00 0.00 C ATOM 1178 C GLY A 76 -11.550 -4.293 1.845 1.00 0.00 C ATOM 1179 O GLY A 76 -11.942 -5.432 2.118 1.00 0.00 O ATOM 0 H GLY A 76 -10.417 -5.379 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.691 -2.673 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.556 -3.504 1.912 1.00 0.00 H new ATOM 1183 N ALA A 77 -12.089 -3.547 0.886 1.00 0.00 N ATOM 1184 CA ALA A 77 -13.185 -3.939 0.019 1.00 0.00 C ATOM 1185 C ALA A 77 -13.138 -3.089 -1.253 1.00 0.00 C ATOM 1186 O ALA A 77 -12.504 -2.034 -1.242 1.00 0.00 O ATOM 1187 CB ALA A 77 -14.499 -3.666 0.754 1.00 0.00 C ATOM 0 H ALA A 77 -11.753 -2.605 0.686 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.108 -4.995 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.337 -3.954 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.527 -4.245 1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.570 -2.604 0.990 1.00 0.00 H new ATOM 1193 N PRO A 78 -13.869 -3.463 -2.317 1.00 0.00 N ATOM 1194 CA PRO A 78 -14.195 -2.535 -3.395 1.00 0.00 C ATOM 1195 C PRO A 78 -15.021 -1.354 -2.866 1.00 0.00 C ATOM 1196 O PRO A 78 -16.128 -1.540 -2.343 1.00 0.00 O ATOM 1197 CB PRO A 78 -14.965 -3.340 -4.440 1.00 0.00 C ATOM 1198 CG PRO A 78 -15.527 -4.526 -3.659 1.00 0.00 C ATOM 1199 CD PRO A 78 -14.490 -4.758 -2.560 1.00 0.00 C ATOM 0 HA PRO A 78 -13.296 -2.103 -3.833 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -15.761 -2.748 -4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.313 -3.669 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.509 -4.302 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.642 -5.405 -4.293 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -14.960 -5.142 -1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.749 -5.494 -2.871 1.00 0.00 H new ATOM 1207 N SER A 79 -14.439 -0.158 -2.932 1.00 0.00 N ATOM 1208 CA SER A 79 -14.983 1.126 -2.501 1.00 0.00 C ATOM 1209 C SER A 79 -14.025 2.216 -2.985 1.00 0.00 C ATOM 1210 O SER A 79 -13.513 3.011 -2.201 1.00 0.00 O ATOM 1211 CB SER A 79 -15.262 1.128 -0.983 1.00 0.00 C ATOM 1212 OG SER A 79 -14.302 0.435 -0.222 1.00 0.00 O ATOM 0 H SER A 79 -13.501 -0.055 -3.319 1.00 0.00 H new ATOM 0 HA SER A 79 -15.959 1.324 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.311 2.160 -0.635 1.00 0.00 H new ATOM 0 HB3 SER A 79 -16.241 0.685 -0.804 1.00 0.00 H new ATOM 0 HG SER A 79 -14.542 0.480 0.727 1.00 0.00 H new ATOM 1218 N LYS A 80 -13.807 2.296 -4.304 1.00 0.00 N ATOM 1219 CA LYS A 80 -13.119 3.430 -4.937 1.00 0.00 C ATOM 1220 C LYS A 80 -13.574 3.693 -6.372 1.00 0.00 C ATOM 1221 O LYS A 80 -13.115 4.641 -7.006 1.00 0.00 O ATOM 1222 CB LYS A 80 -11.588 3.258 -4.824 1.00 0.00 C ATOM 1223 CG LYS A 80 -10.864 4.594 -4.591 1.00 0.00 C ATOM 1224 CD LYS A 80 -11.121 5.175 -3.196 1.00 0.00 C ATOM 1225 CE LYS A 80 -10.597 6.608 -3.113 1.00 0.00 C ATOM 1226 NZ LYS A 80 -11.064 7.246 -1.869 1.00 0.00 N ATOM 0 H LYS A 80 -14.103 1.576 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.403 4.327 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.361 2.577 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.209 2.796 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.792 4.450 -4.727 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.187 5.313 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.189 5.158 -2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -10.633 4.558 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.507 6.608 -3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.940 7.180 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.689 8.214 -1.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.104 7.277 -1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.730 6.698 -1.051 1.00 0.00 H new ATOM 1240 N GLU A 81 -14.518 2.905 -6.883 1.00 0.00 N ATOM 1241 CA GLU A 81 -15.151 3.127 -8.172 1.00 0.00 C ATOM 1242 C GLU A 81 -16.653 3.008 -7.911 1.00 0.00 C ATOM 1243 O GLU A 81 -17.257 1.948 -8.108 1.00 0.00 O ATOM 1244 CB GLU A 81 -14.584 2.148 -9.223 1.00 0.00 C ATOM 1245 CG GLU A 81 -14.943 2.554 -10.661 1.00 0.00 C ATOM 1246 CD GLU A 81 -14.432 1.548 -11.705 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -15.059 0.473 -11.862 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -13.432 1.808 -12.412 1.00 0.00 O ATOM 0 H GLU A 81 -14.868 2.078 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 81 -14.947 4.108 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -13.500 2.100 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -14.967 1.147 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.026 2.645 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.522 3.537 -10.873 1.00 0.00 H new ATOM 1255 N GLY A 82 -17.251 4.079 -7.384 1.00 0.00 N ATOM 1256 CA GLY A 82 -18.698 4.235 -7.314 1.00 0.00 C ATOM 1257 C GLY A 82 -19.213 4.019 -5.900 1.00 0.00 C ATOM 1258 O GLY A 82 -19.444 4.960 -5.134 1.00 0.00 O ATOM 0 H GLY A 82 -16.736 4.867 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -18.975 5.233 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -19.175 3.524 -7.989 1.00 0.00 H new ATOM 1262 N LYS A 83 -19.329 2.750 -5.510 1.00 0.00 N ATOM 1263 CA LYS A 83 -19.795 2.327 -4.190 1.00 0.00 C ATOM 1264 C LYS A 83 -18.888 2.781 -3.042 1.00 0.00 C ATOM 1265 O LYS A 83 -19.131 2.381 -1.899 1.00 0.00 O ATOM 1266 CB LYS A 83 -20.009 0.804 -4.176 1.00 0.00 C ATOM 1267 CG LYS A 83 -18.763 0.019 -4.610 1.00 0.00 C ATOM 1268 CD LYS A 83 -18.754 -1.436 -4.139 1.00 0.00 C ATOM 1269 CE LYS A 83 -19.684 -2.404 -4.875 1.00 0.00 C ATOM 1270 NZ LYS A 83 -21.104 -2.287 -4.501 1.00 0.00 N ATOM 0 H LYS A 83 -19.095 1.967 -6.120 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.747 2.826 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -20.296 0.492 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -20.838 0.553 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -18.693 0.039 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.876 0.521 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.735 -1.814 -4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.015 -1.452 -3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.588 -2.236 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.353 -3.424 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.598 -3.173 -4.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.180 -2.104 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -21.538 -1.501 -5.026 1.00 0.00 H new ATOM 1284 N GLU A 84 -17.850 3.595 -3.283 1.00 0.00 N ATOM 1285 CA GLU A 84 -17.084 4.171 -2.193 1.00 0.00 C ATOM 1286 C GLU A 84 -18.024 4.930 -1.252 1.00 0.00 C ATOM 1287 O GLU A 84 -18.006 4.670 -0.048 1.00 0.00 O ATOM 1288 CB GLU A 84 -15.850 4.980 -2.639 1.00 0.00 C ATOM 1289 CG GLU A 84 -15.966 6.490 -2.883 1.00 0.00 C ATOM 1290 CD GLU A 84 -14.565 7.113 -3.009 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -13.892 7.302 -1.959 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -14.130 7.380 -4.153 1.00 0.00 O ATOM 0 H GLU A 84 -17.532 3.861 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.635 3.351 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.077 4.833 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.485 4.530 -3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.539 6.677 -3.791 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.509 6.959 -2.062 1.00 0.00 H new ATOM 1299 N LYS A 85 -18.905 5.788 -1.793 1.00 0.00 N ATOM 1300 CA LYS A 85 -19.889 6.547 -1.007 1.00 0.00 C ATOM 1301 C LYS A 85 -21.327 6.464 -1.516 1.00 0.00 C ATOM 1302 O LYS A 85 -22.227 6.919 -0.801 1.00 0.00 O ATOM 1303 CB LYS A 85 -19.436 8.011 -0.825 1.00 0.00 C ATOM 1304 CG LYS A 85 -19.587 8.436 0.644 1.00 0.00 C ATOM 1305 CD LYS A 85 -18.476 7.793 1.483 1.00 0.00 C ATOM 1306 CE LYS A 85 -18.850 7.584 2.950 1.00 0.00 C ATOM 1307 NZ LYS A 85 -18.985 8.848 3.704 1.00 0.00 N ATOM 0 H LYS A 85 -18.954 5.975 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 85 -19.917 6.056 -0.034 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -18.397 8.119 -1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -20.030 8.665 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -19.536 9.522 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -20.563 8.133 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -18.214 6.830 1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.586 8.420 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.790 7.035 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.091 6.964 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.239 8.638 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.082 9.364 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.729 9.432 3.272 1.00 0.00 H new ATOM 1321 N LYS A 86 -21.544 5.795 -2.655 1.00 0.00 N ATOM 1322 CA LYS A 86 -22.849 5.473 -3.235 1.00 0.00 C ATOM 1323 C LYS A 86 -23.538 6.731 -3.778 1.00 0.00 C ATOM 1324 O LYS A 86 -23.074 7.852 -3.552 1.00 0.00 O ATOM 1325 CB LYS A 86 -23.741 4.687 -2.246 1.00 0.00 C ATOM 1326 CG LYS A 86 -22.999 3.622 -1.409 1.00 0.00 C ATOM 1327 CD LYS A 86 -23.917 2.559 -0.789 1.00 0.00 C ATOM 1328 CE LYS A 86 -25.044 3.177 0.046 1.00 0.00 C ATOM 1329 NZ LYS A 86 -25.838 2.152 0.749 1.00 0.00 N ATOM 0 H LYS A 86 -20.773 5.447 -3.225 1.00 0.00 H new ATOM 0 HA LYS A 86 -22.681 4.810 -4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -24.218 5.395 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -24.537 4.198 -2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -22.263 3.126 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.449 4.121 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -24.349 1.948 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -23.325 1.894 -0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -24.619 3.868 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -25.698 3.760 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -26.589 2.613 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -26.266 1.507 0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -25.220 1.612 1.388 1.00 0.00 H new ATOM 1343 N GLU A 87 -24.637 6.548 -4.513 1.00 0.00 N ATOM 1344 CA GLU A 87 -25.402 7.663 -5.056 1.00 0.00 C ATOM 1345 C GLU A 87 -26.319 8.201 -3.959 1.00 0.00 C ATOM 1346 O GLU A 87 -26.101 9.307 -3.451 1.00 0.00 O ATOM 1347 CB GLU A 87 -26.209 7.288 -6.317 1.00 0.00 C ATOM 1348 CG GLU A 87 -25.387 6.672 -7.460 1.00 0.00 C ATOM 1349 CD GLU A 87 -25.231 5.148 -7.399 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -26.125 4.422 -6.899 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -24.223 4.633 -7.934 1.00 0.00 O ATOM 0 H GLU A 87 -25.016 5.630 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 87 -24.700 8.433 -5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -26.991 6.584 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -26.707 8.183 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -25.856 6.936 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -24.395 7.124 -7.458 1.00 0.00 H new ATOM 1358 N LYS A 88 -27.356 7.432 -3.597 1.00 0.00 N ATOM 1359 CA LYS A 88 -28.566 7.930 -2.926 1.00 0.00 C ATOM 1360 C LYS A 88 -29.081 9.192 -3.659 1.00 0.00 C ATOM 1361 O LYS A 88 -28.791 9.365 -4.840 1.00 0.00 O ATOM 1362 CB LYS A 88 -28.302 8.091 -1.411 1.00 0.00 C ATOM 1363 CG LYS A 88 -27.881 6.783 -0.698 1.00 0.00 C ATOM 1364 CD LYS A 88 -26.738 6.962 0.317 1.00 0.00 C ATOM 1365 CE LYS A 88 -27.133 7.884 1.480 1.00 0.00 C ATOM 1366 NZ LYS A 88 -26.176 8.993 1.677 1.00 0.00 N ATOM 0 H LYS A 88 -27.378 6.426 -3.766 1.00 0.00 H new ATOM 0 HA LYS A 88 -29.383 7.212 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -27.521 8.838 -1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -29.204 8.477 -0.935 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -28.747 6.367 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -27.575 6.054 -1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -26.448 5.988 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -25.865 7.373 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -28.125 8.294 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -27.198 7.298 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -26.489 9.584 2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -25.233 8.605 1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -26.131 9.571 0.813 1.00 0.00 H new ATOM 1380 N HIS A 89 -29.874 10.043 -2.996 1.00 0.00 N ATOM 1381 CA HIS A 89 -30.441 11.289 -3.538 1.00 0.00 C ATOM 1382 C HIS A 89 -31.066 11.116 -4.938 1.00 0.00 C ATOM 1383 O HIS A 89 -30.639 11.758 -5.893 1.00 0.00 O ATOM 1384 CB HIS A 89 -29.398 12.427 -3.517 1.00 0.00 C ATOM 1385 CG HIS A 89 -28.790 12.701 -2.167 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -29.068 13.765 -1.338 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -27.821 11.950 -1.567 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -28.291 13.643 -0.248 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -27.534 12.532 -0.328 1.00 0.00 N ATOM 0 H HIS A 89 -30.151 9.878 -2.028 1.00 0.00 H new ATOM 0 HA HIS A 89 -31.263 11.567 -2.879 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -28.599 12.182 -4.217 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -29.870 13.340 -3.880 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -27.358 11.064 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -28.276 14.339 0.577 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -26.882 12.184 0.375 1.00 0.00 H new ATOM 1397 N LYS A 90 -32.104 10.275 -5.059 1.00 0.00 N ATOM 1398 CA LYS A 90 -32.774 10.004 -6.341 1.00 0.00 C ATOM 1399 C LYS A 90 -34.265 10.366 -6.319 1.00 0.00 C ATOM 1400 O LYS A 90 -34.958 10.128 -7.307 1.00 0.00 O ATOM 1401 CB LYS A 90 -32.534 8.531 -6.741 1.00 0.00 C ATOM 1402 CG LYS A 90 -32.575 8.284 -8.267 1.00 0.00 C ATOM 1403 CD LYS A 90 -33.547 7.181 -8.722 1.00 0.00 C ATOM 1404 CE LYS A 90 -35.002 7.663 -8.648 1.00 0.00 C ATOM 1405 NZ LYS A 90 -35.968 6.729 -9.263 1.00 0.00 N ATOM 0 H LYS A 90 -32.503 9.764 -4.272 1.00 0.00 H new ATOM 0 HA LYS A 90 -32.336 10.651 -7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -31.565 8.213 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -33.287 7.907 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -32.848 9.215 -8.763 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -31.572 8.025 -8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -33.311 6.882 -9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -33.420 6.299 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -35.272 7.816 -7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -35.081 8.631 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -36.929 7.117 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -35.735 6.601 -10.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -35.921 5.811 -8.777 1.00 0.00 H new ATOM 1419 N THR A 91 -34.793 10.867 -5.208 1.00 0.00 N ATOM 1420 CA THR A 91 -36.219 11.141 -5.033 1.00 0.00 C ATOM 1421 C THR A 91 -36.439 12.660 -5.068 1.00 0.00 C ATOM 1422 O THR A 91 -35.472 13.424 -5.091 1.00 0.00 O ATOM 1423 CB THR A 91 -36.722 10.480 -3.727 1.00 0.00 C ATOM 1424 OG1 THR A 91 -35.935 9.348 -3.373 1.00 0.00 O ATOM 1425 CG2 THR A 91 -38.164 9.975 -3.856 1.00 0.00 C ATOM 0 H THR A 91 -34.234 11.099 -4.387 1.00 0.00 H new ATOM 0 HA THR A 91 -36.805 10.708 -5.844 1.00 0.00 H new ATOM 0 HB THR A 91 -36.652 11.259 -2.968 1.00 0.00 H new ATOM 0 HG1 THR A 91 -36.279 8.957 -2.543 1.00 0.00 H new ATOM 0 HG21 THR A 91 -38.475 9.519 -2.916 1.00 0.00 H new ATOM 0 HG22 THR A 91 -38.823 10.811 -4.089 1.00 0.00 H new ATOM 0 HG23 THR A 91 -38.220 9.235 -4.655 1.00 0.00 H new ATOM 1433 N LYS A 92 -37.697 13.095 -5.047 1.00 0.00 N ATOM 1434 CA LYS A 92 -38.113 14.444 -4.709 1.00 0.00 C ATOM 1435 C LYS A 92 -39.042 14.279 -3.521 1.00 0.00 C ATOM 1436 O LYS A 92 -39.206 15.260 -2.775 1.00 0.00 O ATOM 1437 CB LYS A 92 -38.766 15.152 -5.920 1.00 0.00 C ATOM 1438 CG LYS A 92 -40.125 14.586 -6.401 1.00 0.00 C ATOM 1439 CD LYS A 92 -41.359 15.430 -6.023 1.00 0.00 C ATOM 1440 CE LYS A 92 -41.469 15.612 -4.505 1.00 0.00 C ATOM 1441 NZ LYS A 92 -42.660 16.346 -4.045 1.00 0.00 N ATOM 0 H LYS A 92 -38.484 12.487 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 92 -37.277 15.093 -4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -38.905 16.203 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -38.066 15.115 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -40.094 14.483 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -40.250 13.585 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -41.295 16.406 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -42.261 14.947 -6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -41.465 14.628 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -40.581 16.136 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -42.645 16.417 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -42.660 17.301 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -43.517 15.839 -4.344 1.00 0.00 H new TER 1455 LYS A 92