USER MOD reduce.3.24.130724 H: found=0, std=0, add=933, rem=0, adj=37 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 Set 1.1: A 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 56 ASN :FLIP amide:sc= 0.00425 F(o=-0.73,f=0.0042) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.656 K(o=0.6,f=-5.8!) USER MOD Set 2.2: A 113 SER OG : rot -174:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00842 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+ 138:sc= 0.328 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -5.39! C(o=-5.4!,f=-6.5!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0366 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= -0.227 (180deg=-1.32!) 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= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= -6.17! (180deg=-6.17!) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -1.28 (180deg=-1.62) USER MOD Single : A 45 SER OG : rot 170:sc= 0 USER MOD Single : A 47 TYR OH : rot 132:sc= 0.207 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+ 157:sc= -0.0435 (180deg=-0.666) USER MOD Single : A 53 TYR OH : rot 9:sc= 0.0577 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 172:sc= -0.0218 USER MOD Single : A 66 SER OG : rot 180:sc= -0.061 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.32) 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+ -148:sc= -0.232 (180deg=-1.09) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS :FLIP no HD1:sc= -0.0934 F(o=-0.65,f=-0.093) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -1.87 (180deg=-3.93!) USER MOD Single : A 93 ASN : amide:sc= -0.0236 K(o=-0.024,f=-0.81) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.632 F(o=-1.7!,f=-0.63) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 95:sc= 0.0729 USER MOD Single : A 107 MET CE :methyl -158:sc= -0.133 (180deg=-1.48) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.019) USER MOD Single : A 112 THR OG1 : rot -170:sc= -1.15 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -5.83! C(o=-5.8!,f=-6.2!) USER MOD Single : A 118 SER OG : rot -12:sc= -6.41! USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc=-0.00126 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.430 16.213 -25.582 1.00 0.00 N ATOM 2 CA GLY A 1 -16.569 15.344 -25.302 1.00 0.00 C ATOM 3 C GLY A 1 -17.066 15.541 -23.890 1.00 0.00 C ATOM 4 O GLY A 1 -18.025 16.276 -23.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.107 16.058 -26.558 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.714 17.206 -25.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.656 15.994 -24.923 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.373 15.554 -26.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.281 14.303 -25.448 1.00 0.00 H new ATOM 10 N SER A 2 -16.413 14.886 -22.948 1.00 0.00 N ATOM 11 CA SER A 2 -16.725 15.050 -21.532 1.00 0.00 C ATOM 12 C SER A 2 -15.999 16.241 -20.952 1.00 0.00 C ATOM 13 O SER A 2 -16.517 16.970 -20.098 1.00 0.00 O ATOM 14 CB SER A 2 -16.413 13.754 -20.744 1.00 0.00 C ATOM 15 OG SER A 2 -16.120 12.641 -21.596 1.00 0.00 O ATOM 0 H SER A 2 -15.656 14.229 -23.136 1.00 0.00 H new ATOM 0 HA SER A 2 -17.794 15.242 -21.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.565 13.932 -20.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.265 13.506 -20.111 1.00 0.00 H new ATOM 0 HG SER A 2 -15.929 11.851 -21.048 1.00 0.00 H new ATOM 21 N GLY A 3 -14.787 16.468 -21.423 1.00 0.00 N ATOM 22 CA GLY A 3 -13.960 17.566 -20.932 1.00 0.00 C ATOM 23 C GLY A 3 -12.509 17.153 -20.839 1.00 0.00 C ATOM 24 O GLY A 3 -11.895 16.704 -21.813 1.00 0.00 O ATOM 0 H GLY A 3 -14.347 15.905 -22.150 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -14.056 18.424 -21.598 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.315 17.883 -19.951 1.00 0.00 H new ATOM 28 N THR A 4 -11.934 17.323 -19.663 1.00 0.00 N ATOM 29 CA THR A 4 -10.584 16.846 -19.374 1.00 0.00 C ATOM 30 C THR A 4 -10.624 15.696 -18.392 1.00 0.00 C ATOM 31 O THR A 4 -11.627 14.959 -18.319 1.00 0.00 O ATOM 32 CB THR A 4 -9.695 18.022 -18.844 1.00 0.00 C ATOM 33 OG1 THR A 4 -10.051 18.353 -17.508 1.00 0.00 O ATOM 34 CG2 THR A 4 -9.796 19.357 -19.613 1.00 0.00 C ATOM 0 H THR A 4 -12.385 17.794 -18.879 1.00 0.00 H new ATOM 0 HA THR A 4 -10.136 16.476 -20.296 1.00 0.00 H new ATOM 0 HB THR A 4 -8.686 17.626 -18.962 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.485 19.088 -17.191 1.00 0.00 H new ATOM 0 HG21 THR A 4 -9.136 20.093 -19.153 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.500 19.202 -20.651 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.823 19.720 -19.579 1.00 0.00 H new ATOM 42 N GLY A 5 -9.564 15.484 -17.636 1.00 0.00 N ATOM 43 CA GLY A 5 -9.484 14.340 -16.724 1.00 0.00 C ATOM 44 C GLY A 5 -9.860 14.738 -15.317 1.00 0.00 C ATOM 45 O GLY A 5 -9.019 14.820 -14.414 1.00 0.00 O ATOM 0 H GLY A 5 -8.740 16.086 -17.629 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.148 13.548 -17.071 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.472 13.935 -16.732 1.00 0.00 H new ATOM 49 N ALA A 6 -11.141 14.971 -15.099 1.00 0.00 N ATOM 50 CA ALA A 6 -11.654 15.295 -13.770 1.00 0.00 C ATOM 51 C ALA A 6 -11.857 14.045 -12.947 1.00 0.00 C ATOM 52 O ALA A 6 -12.806 13.279 -13.146 1.00 0.00 O ATOM 53 CB ALA A 6 -12.950 16.103 -13.956 1.00 0.00 C ATOM 0 H ALA A 6 -11.854 14.943 -15.828 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.936 15.897 -13.213 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.361 16.362 -12.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.733 17.015 -14.512 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.675 15.505 -14.508 1.00 0.00 H new ATOM 59 N GLY A 7 -10.974 13.831 -11.989 1.00 0.00 N ATOM 60 CA GLY A 7 -11.027 12.648 -11.136 1.00 0.00 C ATOM 61 C GLY A 7 -10.895 11.385 -11.952 1.00 0.00 C ATOM 62 O GLY A 7 -11.849 10.618 -12.128 1.00 0.00 O ATOM 0 H GLY A 7 -10.203 14.465 -11.778 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.227 12.693 -10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.968 12.633 -10.587 1.00 0.00 H new ATOM 66 N GLU A 8 -9.706 11.151 -12.475 1.00 0.00 N ATOM 67 CA GLU A 8 -9.450 9.992 -13.326 1.00 0.00 C ATOM 68 C GLU A 8 -8.045 9.473 -13.126 1.00 0.00 C ATOM 69 O GLU A 8 -7.132 10.201 -12.722 1.00 0.00 O ATOM 70 CB GLU A 8 -9.699 10.405 -14.805 1.00 0.00 C ATOM 71 CG GLU A 8 -11.152 10.834 -15.193 1.00 0.00 C ATOM 72 CD GLU A 8 -11.658 10.513 -16.602 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.960 9.198 -16.789 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.780 11.361 -17.475 1.00 0.00 O ATOM 0 H GLU A 8 -8.894 11.750 -12.327 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.125 9.179 -13.058 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.028 11.231 -15.042 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.412 9.568 -15.442 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.835 10.370 -14.482 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.228 11.912 -15.051 1.00 0.00 H new ATOM 81 N GLY A 9 -7.849 8.204 -13.432 1.00 0.00 N ATOM 82 CA GLY A 9 -6.538 7.562 -13.309 1.00 0.00 C ATOM 83 C GLY A 9 -5.839 7.555 -14.651 1.00 0.00 C ATOM 84 O GLY A 9 -5.829 8.615 -15.332 1.00 0.00 O ATOM 0 H GLY A 9 -8.585 7.585 -13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.931 8.093 -12.576 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.656 6.541 -12.946 1.00 0.00 H new ATOM 88 N HIS A 10 -5.283 6.438 -15.091 1.00 0.00 N ATOM 89 CA HIS A 10 -4.655 6.408 -16.419 1.00 0.00 C ATOM 90 C HIS A 10 -4.496 4.997 -16.933 1.00 0.00 C ATOM 91 O HIS A 10 -4.857 4.005 -16.293 1.00 0.00 O ATOM 92 CB HIS A 10 -3.285 7.087 -16.266 1.00 0.00 C ATOM 93 CG HIS A 10 -3.167 8.330 -17.107 1.00 0.00 C ATOM 94 ND1 HIS A 10 -3.839 9.530 -16.891 1.00 0.00 N ATOM 95 CD2 HIS A 10 -2.348 8.399 -18.225 1.00 0.00 C ATOM 96 CE1 HIS A 10 -3.365 10.248 -17.926 1.00 0.00 C ATOM 97 NE2 HIS A 10 -2.473 9.653 -18.764 1.00 0.00 N ATOM 0 H HIS A 10 -5.248 5.560 -14.573 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.280 6.926 -17.147 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.124 7.343 -15.219 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.500 6.385 -16.547 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.722 7.604 -18.604 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.683 11.267 -18.087 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -2.013 10.043 -19.587 1.00 0.00 H new ATOM 105 N GLU A 11 -3.963 4.890 -18.139 1.00 0.00 N ATOM 106 CA GLU A 11 -3.869 3.613 -18.839 1.00 0.00 C ATOM 107 C GLU A 11 -2.935 3.717 -20.021 1.00 0.00 C ATOM 108 O GLU A 11 -3.277 4.255 -21.080 1.00 0.00 O ATOM 109 CB GLU A 11 -5.296 3.189 -19.286 1.00 0.00 C ATOM 110 CG GLU A 11 -6.151 4.252 -20.053 1.00 0.00 C ATOM 111 CD GLU A 11 -6.765 3.862 -21.400 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.374 2.644 -21.393 1.00 0.00 O ATOM 113 OE2 GLU A 11 -6.711 4.580 -22.389 1.00 0.00 O ATOM 0 H GLU A 11 -3.584 5.680 -18.661 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.458 2.855 -18.172 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.203 2.308 -19.921 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.852 2.885 -18.399 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.964 4.561 -19.395 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.523 5.128 -20.216 1.00 0.00 H new ATOM 120 N GLY A 12 -1.738 3.182 -19.865 1.00 0.00 N ATOM 121 CA GLY A 12 -0.690 3.338 -20.869 1.00 0.00 C ATOM 122 C GLY A 12 0.331 2.231 -20.764 1.00 0.00 C ATOM 123 O GLY A 12 0.019 1.083 -20.427 1.00 0.00 O ATOM 0 H GLY A 12 -1.462 2.633 -19.051 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.133 3.336 -21.865 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.200 4.303 -20.741 1.00 0.00 H new ATOM 127 N TYR A 13 1.579 2.567 -21.030 1.00 0.00 N ATOM 128 CA TYR A 13 2.671 1.601 -20.945 1.00 0.00 C ATOM 129 C TYR A 13 3.865 2.193 -20.234 1.00 0.00 C ATOM 130 O TYR A 13 4.319 3.303 -20.548 1.00 0.00 O ATOM 131 CB TYR A 13 3.132 1.155 -22.364 1.00 0.00 C ATOM 132 CG TYR A 13 3.842 2.215 -23.216 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.110 3.072 -24.044 1.00 0.00 C ATOM 134 CD2 TYR A 13 5.234 2.335 -23.159 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.755 4.097 -24.731 1.00 0.00 C ATOM 136 CE2 TYR A 13 5.877 3.360 -23.847 1.00 0.00 C ATOM 137 CZ TYR A 13 5.135 4.246 -24.624 1.00 0.00 C ATOM 138 OH TYR A 13 5.762 5.266 -25.282 1.00 0.00 O ATOM 0 H TYR A 13 1.868 3.505 -21.308 1.00 0.00 H new ATOM 0 HA TYR A 13 2.292 0.744 -20.388 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.801 0.302 -22.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.258 0.805 -22.913 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.044 2.939 -24.151 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.812 1.630 -22.579 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.185 4.777 -25.347 1.00 0.00 H new ATOM 0 HE2 TYR A 13 6.949 3.468 -23.778 1.00 0.00 H new ATOM 0 HH TYR A 13 6.724 5.229 -25.101 1.00 0.00 H new ATOM 148 N VAL A 14 4.403 1.465 -19.270 1.00 0.00 N ATOM 149 CA VAL A 14 5.519 1.976 -18.470 1.00 0.00 C ATOM 150 C VAL A 14 6.292 0.857 -17.809 1.00 0.00 C ATOM 151 O VAL A 14 6.126 -0.332 -18.093 1.00 0.00 O ATOM 152 CB VAL A 14 4.997 2.975 -17.362 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.930 4.007 -17.815 1.00 0.00 C ATOM 154 CG2 VAL A 14 4.383 2.276 -16.126 1.00 0.00 C ATOM 0 H VAL A 14 4.093 0.526 -19.019 1.00 0.00 H new ATOM 0 HA VAL A 14 6.188 2.502 -19.152 1.00 0.00 H new ATOM 0 HB VAL A 14 5.927 3.491 -17.123 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.650 4.636 -16.970 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.340 4.629 -18.610 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.049 3.482 -18.184 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.048 3.028 -15.412 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.534 1.667 -16.437 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.134 1.639 -15.658 1.00 0.00 H new ATOM 164 N THR A 15 7.149 1.261 -16.881 1.00 0.00 N ATOM 165 CA THR A 15 7.862 0.326 -16.017 1.00 0.00 C ATOM 166 C THR A 15 7.283 0.376 -14.619 1.00 0.00 C ATOM 167 O THR A 15 7.767 1.089 -13.734 1.00 0.00 O ATOM 168 CB THR A 15 9.399 0.624 -15.999 1.00 0.00 C ATOM 169 OG1 THR A 15 9.783 1.332 -17.170 1.00 0.00 O ATOM 170 CG2 THR A 15 10.334 -0.605 -15.966 1.00 0.00 C ATOM 0 H THR A 15 7.370 2.241 -16.705 1.00 0.00 H new ATOM 0 HA THR A 15 7.733 -0.680 -16.416 1.00 0.00 H new ATOM 0 HB THR A 15 9.520 1.181 -15.070 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.746 1.512 -17.142 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.372 -0.272 -15.956 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.132 -1.192 -15.070 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.159 -1.219 -16.849 1.00 0.00 H new ATOM 178 N ARG A 16 6.212 -0.368 -14.421 1.00 0.00 N ATOM 179 CA ARG A 16 5.435 -0.316 -13.187 1.00 0.00 C ATOM 180 C ARG A 16 5.858 -1.377 -12.191 1.00 0.00 C ATOM 181 O ARG A 16 6.772 -2.181 -12.392 1.00 0.00 O ATOM 182 CB ARG A 16 3.928 -0.485 -13.541 1.00 0.00 C ATOM 183 CG ARG A 16 3.399 -1.937 -13.337 1.00 0.00 C ATOM 184 CD ARG A 16 2.191 -2.253 -14.225 1.00 0.00 C ATOM 185 NE ARG A 16 1.529 -3.478 -13.708 1.00 0.00 N ATOM 186 CZ ARG A 16 1.946 -4.722 -13.901 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.008 -5.043 -14.578 1.00 0.00 N ATOM 188 NH2 ARG A 16 1.249 -5.669 -13.381 1.00 0.00 N ATOM 0 H ARG A 16 5.851 -1.028 -15.110 1.00 0.00 H new ATOM 0 HA ARG A 16 5.613 0.649 -12.712 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.340 0.197 -12.926 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.772 -0.193 -14.579 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.199 -2.645 -13.553 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.123 -2.076 -12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.492 -1.417 -14.224 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.509 -2.402 -15.257 1.00 0.00 H new ATOM 0 HE ARG A 16 0.680 -3.351 -13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.582 -4.314 -15.003 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.268 -6.024 -14.685 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.410 -5.449 -12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.535 -6.640 -13.506 1.00 0.00 H new ATOM 202 N LYS A 17 5.147 -1.396 -11.074 1.00 0.00 N ATOM 203 CA LYS A 17 5.269 -2.427 -10.049 1.00 0.00 C ATOM 204 C LYS A 17 3.970 -2.541 -9.277 1.00 0.00 C ATOM 205 O LYS A 17 3.852 -2.063 -8.143 1.00 0.00 O ATOM 206 CB LYS A 17 6.457 -2.103 -9.104 1.00 0.00 C ATOM 207 CG LYS A 17 7.326 -3.336 -8.753 1.00 0.00 C ATOM 208 CD LYS A 17 6.541 -4.596 -8.376 1.00 0.00 C ATOM 209 CE LYS A 17 6.727 -5.654 -9.472 1.00 0.00 C ATOM 210 NZ LYS A 17 6.292 -6.967 -8.965 1.00 0.00 N ATOM 0 H LYS A 17 4.455 -0.682 -10.848 1.00 0.00 H new ATOM 0 HA LYS A 17 5.470 -3.387 -10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.087 -1.347 -9.573 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.069 -1.668 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.965 -3.566 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.983 -3.074 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.889 -4.983 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.484 -4.359 -8.259 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.149 -5.384 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.773 -5.698 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.751 -7.462 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.125 -7.533 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.692 -6.834 -8.126 1.00 0.00 H new ATOM 224 N HIS A 18 2.973 -3.149 -9.890 1.00 0.00 N ATOM 225 CA HIS A 18 1.611 -3.189 -9.352 1.00 0.00 C ATOM 226 C HIS A 18 1.354 -4.413 -8.499 1.00 0.00 C ATOM 227 O HIS A 18 0.255 -4.979 -8.499 1.00 0.00 O ATOM 228 CB HIS A 18 0.678 -3.190 -10.577 1.00 0.00 C ATOM 229 CG HIS A 18 0.517 -1.812 -11.155 1.00 0.00 C ATOM 230 ND1 HIS A 18 1.521 -0.852 -11.255 1.00 0.00 N ATOM 231 CD2 HIS A 18 -0.687 -1.342 -11.661 1.00 0.00 C ATOM 232 CE1 HIS A 18 0.828 0.146 -11.835 1.00 0.00 C ATOM 233 NE2 HIS A 18 -0.488 -0.061 -12.107 1.00 0.00 N ATOM 0 H HIS A 18 3.077 -3.634 -10.781 1.00 0.00 H new ATOM 0 HA HIS A 18 1.443 -2.334 -8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.078 -3.859 -11.338 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.298 -3.581 -10.290 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.617 -1.889 -11.697 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.304 1.085 -12.077 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.159 0.577 -12.535 1.00 0.00 H new ATOM 241 N GLU A 19 2.355 -4.815 -7.738 1.00 0.00 N ATOM 242 CA GLU A 19 2.268 -5.969 -6.847 1.00 0.00 C ATOM 243 C GLU A 19 3.550 -6.143 -6.065 1.00 0.00 C ATOM 244 O GLU A 19 4.651 -5.887 -6.588 1.00 0.00 O ATOM 245 CB GLU A 19 1.964 -7.243 -7.686 1.00 0.00 C ATOM 246 CG GLU A 19 1.671 -8.561 -6.891 1.00 0.00 C ATOM 247 CD GLU A 19 1.062 -9.746 -7.644 1.00 0.00 C ATOM 248 OE1 GLU A 19 -0.145 -9.472 -8.213 1.00 0.00 O ATOM 249 OE2 GLU A 19 1.610 -10.837 -7.725 1.00 0.00 O ATOM 0 H GLU A 19 3.262 -4.349 -7.717 1.00 0.00 H new ATOM 0 HA GLU A 19 1.462 -5.806 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.105 -7.033 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.813 -7.426 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.608 -8.896 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.001 -8.311 -6.069 1.00 0.00 H new ATOM 256 N TRP A 20 3.458 -6.595 -4.829 1.00 0.00 N ATOM 257 CA TRP A 20 4.650 -6.861 -4.023 1.00 0.00 C ATOM 258 C TRP A 20 4.275 -7.284 -2.619 1.00 0.00 C ATOM 259 O TRP A 20 4.689 -6.713 -1.605 1.00 0.00 O ATOM 260 CB TRP A 20 5.531 -5.581 -3.993 1.00 0.00 C ATOM 261 CG TRP A 20 6.903 -5.725 -4.667 1.00 0.00 C ATOM 262 CD1 TRP A 20 7.371 -6.862 -5.358 1.00 0.00 C ATOM 263 CD2 TRP A 20 7.884 -4.766 -4.807 1.00 0.00 C ATOM 264 NE1 TRP A 20 8.639 -6.635 -5.930 1.00 0.00 N ATOM 265 CE2 TRP A 20 8.935 -5.329 -5.575 1.00 0.00 C ATOM 266 CE3 TRP A 20 7.959 -3.422 -4.358 1.00 0.00 C ATOM 267 CZ2 TRP A 20 10.079 -4.559 -5.877 1.00 0.00 C ATOM 268 CZ3 TRP A 20 9.132 -2.707 -4.605 1.00 0.00 C ATOM 269 CH2 TRP A 20 10.170 -3.260 -5.368 1.00 0.00 C ATOM 0 H TRP A 20 2.575 -6.788 -4.355 1.00 0.00 H new ATOM 0 HA TRP A 20 5.210 -7.682 -4.471 1.00 0.00 H new ATOM 0 HB2 TRP A 20 4.987 -4.771 -4.479 1.00 0.00 H new ATOM 0 HB3 TRP A 20 5.682 -5.285 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.826 -7.791 -5.439 1.00 0.00 H new ATOM 0 HE1 TRP A 20 9.207 -7.282 -6.478 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.130 -2.964 -3.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.870 -4.966 -6.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 9.242 -1.711 -4.202 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.055 -2.673 -5.566 1.00 0.00 H new ATOM 280 N ASP A 21 3.481 -8.342 -2.541 1.00 0.00 N ATOM 281 CA ASP A 21 3.138 -8.964 -1.265 1.00 0.00 C ATOM 282 C ASP A 21 2.206 -10.136 -1.466 1.00 0.00 C ATOM 283 O ASP A 21 0.976 -10.005 -1.410 1.00 0.00 O ATOM 284 CB ASP A 21 2.539 -7.912 -0.295 1.00 0.00 C ATOM 285 CG ASP A 21 3.226 -7.765 1.070 1.00 0.00 C ATOM 286 OD1 ASP A 21 4.330 -7.259 1.211 1.00 0.00 O ATOM 287 OD2 ASP A 21 2.467 -8.247 2.100 1.00 0.00 O ATOM 0 H ASP A 21 3.058 -8.793 -3.352 1.00 0.00 H new ATOM 0 HA ASP A 21 4.050 -9.354 -0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.557 -6.942 -0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.492 -8.163 -0.124 1.00 0.00 H new ATOM 292 N SER A 22 2.774 -11.308 -1.682 1.00 0.00 N ATOM 293 CA SER A 22 1.994 -12.519 -1.924 1.00 0.00 C ATOM 294 C SER A 22 2.242 -13.553 -0.849 1.00 0.00 C ATOM 295 O SER A 22 1.331 -14.271 -0.418 1.00 0.00 O ATOM 296 CB SER A 22 2.283 -13.088 -3.335 1.00 0.00 C ATOM 297 OG SER A 22 1.319 -14.062 -3.750 1.00 0.00 O ATOM 0 H SER A 22 3.784 -11.453 -1.696 1.00 0.00 H new ATOM 0 HA SER A 22 0.938 -12.254 -1.883 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.299 -12.270 -4.055 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.275 -13.539 -3.343 1.00 0.00 H new ATOM 0 HG SER A 22 1.547 -14.387 -4.646 1.00 0.00 H new ATOM 303 N THR A 23 3.485 -13.657 -0.419 1.00 0.00 N ATOM 304 CA THR A 23 3.897 -14.664 0.557 1.00 0.00 C ATOM 305 C THR A 23 3.922 -16.042 -0.062 1.00 0.00 C ATOM 306 O THR A 23 3.388 -16.282 -1.151 1.00 0.00 O ATOM 307 CB THR A 23 2.956 -14.638 1.808 1.00 0.00 C ATOM 308 OG1 THR A 23 2.468 -13.322 2.037 1.00 0.00 O ATOM 309 CG2 THR A 23 3.593 -15.053 3.152 1.00 0.00 C ATOM 0 H THR A 23 4.242 -13.049 -0.732 1.00 0.00 H new ATOM 0 HA THR A 23 4.909 -14.423 0.882 1.00 0.00 H new ATOM 0 HB THR A 23 2.191 -15.368 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 23 1.880 -13.323 2.821 1.00 0.00 H new ATOM 0 HG21 THR A 23 2.845 -14.995 3.942 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.965 -16.075 3.078 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.420 -14.382 3.385 1.00 0.00 H new ATOM 317 N THR A 24 4.566 -16.971 0.622 1.00 0.00 N ATOM 318 CA THR A 24 4.690 -18.343 0.140 1.00 0.00 C ATOM 319 C THR A 24 5.537 -18.403 -1.109 1.00 0.00 C ATOM 320 O THR A 24 5.894 -17.382 -1.707 1.00 0.00 O ATOM 321 CB THR A 24 3.276 -18.964 -0.120 1.00 0.00 C ATOM 322 OG1 THR A 24 2.319 -18.418 0.779 1.00 0.00 O ATOM 323 CG2 THR A 24 3.154 -20.492 0.066 1.00 0.00 C ATOM 0 H THR A 24 5.016 -16.802 1.521 1.00 0.00 H new ATOM 0 HA THR A 24 5.187 -18.930 0.912 1.00 0.00 H new ATOM 0 HB THR A 24 3.104 -18.725 -1.169 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.441 -18.815 0.602 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.130 -20.803 -0.142 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.833 -20.997 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.412 -20.755 1.092 1.00 0.00 H new ATOM 331 N LYS A 25 5.894 -19.609 -1.511 1.00 0.00 N ATOM 332 CA LYS A 25 6.732 -19.816 -2.689 1.00 0.00 C ATOM 333 C LYS A 25 5.928 -20.392 -3.830 1.00 0.00 C ATOM 334 O LYS A 25 6.054 -21.568 -4.190 1.00 0.00 O ATOM 335 CB LYS A 25 7.922 -20.745 -2.322 1.00 0.00 C ATOM 336 CG LYS A 25 9.181 -20.504 -3.192 1.00 0.00 C ATOM 337 CD LYS A 25 10.507 -20.886 -2.527 1.00 0.00 C ATOM 338 CE LYS A 25 11.091 -19.655 -1.821 1.00 0.00 C ATOM 339 NZ LYS A 25 11.388 -18.612 -2.819 1.00 0.00 N ATOM 0 H LYS A 25 5.617 -20.469 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 25 7.123 -18.854 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.180 -20.596 -1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.609 -21.784 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.079 -21.070 -4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.219 -19.450 -3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.349 -21.691 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.208 -21.258 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.384 -19.276 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.999 -19.928 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.233 -18.082 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.561 -19.055 -3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.580 -17.962 -2.893 1.00 0.00 H new ATOM 353 N LYS A 26 5.095 -19.563 -4.429 1.00 0.00 N ATOM 354 CA LYS A 26 4.357 -19.938 -5.632 1.00 0.00 C ATOM 355 C LYS A 26 4.245 -18.768 -6.581 1.00 0.00 C ATOM 356 O LYS A 26 3.254 -18.590 -7.298 1.00 0.00 O ATOM 357 CB LYS A 26 2.954 -20.472 -5.230 1.00 0.00 C ATOM 358 CG LYS A 26 2.106 -20.971 -6.428 1.00 0.00 C ATOM 359 CD LYS A 26 2.896 -21.658 -7.545 1.00 0.00 C ATOM 360 CE LYS A 26 3.099 -23.136 -7.186 1.00 0.00 C ATOM 361 NZ LYS A 26 3.308 -23.916 -8.419 1.00 0.00 N ATOM 0 H LYS A 26 4.908 -18.615 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 26 4.898 -20.727 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.077 -21.289 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.408 -19.681 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.354 -21.667 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.571 -20.121 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.361 -21.572 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.861 -21.168 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.957 -23.246 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.230 -23.513 -6.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.446 -24.918 -8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.476 -23.820 -9.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.150 -23.561 -8.916 1.00 0.00 H new ATOM 375 N ALA A 27 5.265 -17.927 -6.584 1.00 0.00 N ATOM 376 CA ALA A 27 5.245 -16.689 -7.357 1.00 0.00 C ATOM 377 C ALA A 27 6.630 -16.334 -7.846 1.00 0.00 C ATOM 378 O ALA A 27 7.484 -15.850 -7.096 1.00 0.00 O ATOM 379 CB ALA A 27 4.628 -15.594 -6.470 1.00 0.00 C ATOM 0 H ALA A 27 6.125 -18.077 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 27 4.638 -16.802 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.599 -14.654 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.615 -15.882 -6.189 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.233 -15.470 -5.572 1.00 0.00 H new ATOM 385 N SER A 28 6.867 -16.556 -9.126 1.00 0.00 N ATOM 386 CA SER A 28 8.126 -16.172 -9.758 1.00 0.00 C ATOM 387 C SER A 28 8.077 -14.739 -10.234 1.00 0.00 C ATOM 388 O SER A 28 7.218 -14.345 -11.030 1.00 0.00 O ATOM 389 CB SER A 28 8.483 -17.143 -10.910 1.00 0.00 C ATOM 390 OG SER A 28 9.834 -16.999 -11.362 1.00 0.00 O ATOM 0 H SER A 28 6.202 -17.003 -9.756 1.00 0.00 H new ATOM 0 HA SER A 28 8.917 -16.242 -9.012 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.324 -18.168 -10.576 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.805 -16.971 -11.746 1.00 0.00 H new ATOM 0 HG SER A 28 10.006 -17.636 -12.087 1.00 0.00 H new ATOM 396 N ASN A 29 9.003 -13.932 -9.750 1.00 0.00 N ATOM 397 CA ASN A 29 9.006 -12.500 -10.038 1.00 0.00 C ATOM 398 C ASN A 29 10.330 -11.874 -9.667 1.00 0.00 C ATOM 399 O ASN A 29 10.755 -11.883 -8.507 1.00 0.00 O ATOM 400 CB ASN A 29 7.839 -11.814 -9.270 1.00 0.00 C ATOM 401 CG ASN A 29 7.141 -10.644 -9.971 1.00 0.00 C ATOM 402 OD1 ASN A 29 5.959 -10.388 -9.795 1.00 0.00 O ATOM 403 ND2 ASN A 29 7.835 -9.896 -10.786 1.00 0.00 N ATOM 0 H ASN A 29 9.769 -14.241 -9.152 1.00 0.00 H new ATOM 0 HA ASN A 29 8.864 -12.357 -11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.088 -12.572 -9.046 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.225 -11.456 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.389 -9.113 -11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.823 -10.095 -10.945 1.00 0.00 H new ATOM 410 N ARG A 30 10.993 -11.297 -10.652 1.00 0.00 N ATOM 411 CA ARG A 30 12.314 -10.703 -10.458 1.00 0.00 C ATOM 412 C ARG A 30 12.210 -9.355 -9.783 1.00 0.00 C ATOM 413 O ARG A 30 12.666 -9.158 -8.650 1.00 0.00 O ATOM 414 CB ARG A 30 13.022 -10.597 -11.836 1.00 0.00 C ATOM 415 CG ARG A 30 12.865 -11.844 -12.748 1.00 0.00 C ATOM 416 CD ARG A 30 13.699 -11.746 -14.032 1.00 0.00 C ATOM 417 NE ARG A 30 12.963 -12.438 -15.120 1.00 0.00 N ATOM 418 CZ ARG A 30 12.159 -11.858 -16.002 1.00 0.00 C ATOM 419 NH1 ARG A 30 11.910 -10.583 -16.041 1.00 0.00 N ATOM 420 NH2 ARG A 30 11.592 -12.614 -16.875 1.00 0.00 N ATOM 0 H ARG A 30 10.639 -11.224 -11.606 1.00 0.00 H new ATOM 0 HA ARG A 30 12.907 -11.338 -9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.631 -9.727 -12.364 1.00 0.00 H new ATOM 0 HB3 ARG A 30 14.084 -10.418 -11.670 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.162 -12.734 -12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 30 11.814 -11.967 -13.010 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.871 -10.702 -14.294 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.678 -12.203 -13.885 1.00 0.00 H new ATOM 0 HE ARG A 30 13.086 -13.448 -15.196 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.345 -9.957 -15.363 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.280 -10.208 -16.750 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.768 -13.619 -16.871 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.966 -12.209 -17.571 1.00 0.00 H new ATOM 434 N SER A 31 11.595 -8.406 -10.462 1.00 0.00 N ATOM 435 CA SER A 31 11.533 -7.026 -9.986 1.00 0.00 C ATOM 436 C SER A 31 10.413 -6.275 -10.675 1.00 0.00 C ATOM 437 O SER A 31 9.364 -6.874 -10.998 1.00 0.00 O ATOM 438 CB SER A 31 12.909 -6.332 -10.155 1.00 0.00 C ATOM 439 OG SER A 31 13.260 -5.514 -9.034 1.00 0.00 O ATOM 0 H SER A 31 11.125 -8.562 -11.354 1.00 0.00 H new ATOM 0 HA SER A 31 11.305 -7.025 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.678 -7.091 -10.300 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.893 -5.718 -11.056 1.00 0.00 H new ATOM 0 HG SER A 31 14.135 -5.102 -9.191 1.00 0.00 H new ATOM 445 N TRP A 32 10.567 -4.991 -10.934 1.00 0.00 N ATOM 446 CA TRP A 32 9.559 -4.224 -11.668 1.00 0.00 C ATOM 447 C TRP A 32 9.367 -4.792 -13.053 1.00 0.00 C ATOM 448 O TRP A 32 10.290 -5.363 -13.652 1.00 0.00 O ATOM 449 CB TRP A 32 10.009 -2.739 -11.770 1.00 0.00 C ATOM 450 CG TRP A 32 10.120 -1.980 -10.441 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.687 -2.473 -9.248 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.786 -0.665 -10.184 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.724 -1.486 -8.243 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.162 -0.374 -8.849 1.00 0.00 C ATOM 455 CE3 TRP A 32 9.171 0.326 -10.993 1.00 0.00 C ATOM 456 CZ2 TRP A 32 9.962 0.923 -8.327 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.947 1.588 -10.442 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.385 1.899 -9.146 1.00 0.00 C ATOM 0 H TRP A 32 11.382 -4.448 -10.649 1.00 0.00 H new ATOM 0 HA TRP A 32 8.612 -4.285 -11.132 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.979 -2.707 -12.267 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.304 -2.209 -12.411 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.048 -3.483 -9.120 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.081 -1.570 -7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.883 0.108 -12.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.250 1.157 -7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.428 2.337 -11.022 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.275 2.907 -8.775 1.00 0.00 H new ATOM 469 N ASP A 33 8.167 -4.668 -13.586 1.00 0.00 N ATOM 470 CA ASP A 33 7.826 -5.260 -14.877 1.00 0.00 C ATOM 471 C ASP A 33 7.151 -4.249 -15.774 1.00 0.00 C ATOM 472 O ASP A 33 6.360 -3.408 -15.331 1.00 0.00 O ATOM 473 CB ASP A 33 6.953 -6.526 -14.673 1.00 0.00 C ATOM 474 CG ASP A 33 6.977 -7.569 -15.801 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.840 -8.429 -15.896 1.00 0.00 O ATOM 476 OD2 ASP A 33 5.929 -7.435 -16.669 1.00 0.00 O ATOM 0 H ASP A 33 7.401 -4.159 -13.145 1.00 0.00 H new ATOM 0 HA ASP A 33 8.745 -5.566 -15.376 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.271 -7.014 -13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.921 -6.208 -14.526 1.00 0.00 H new ATOM 481 N LYS A 34 7.470 -4.299 -17.055 1.00 0.00 N ATOM 482 CA LYS A 34 6.913 -3.354 -18.021 1.00 0.00 C ATOM 483 C LYS A 34 5.752 -3.963 -18.770 1.00 0.00 C ATOM 484 O LYS A 34 5.806 -5.115 -19.225 1.00 0.00 O ATOM 485 CB LYS A 34 8.028 -2.901 -19.004 1.00 0.00 C ATOM 486 CG LYS A 34 8.713 -4.077 -19.744 1.00 0.00 C ATOM 487 CD LYS A 34 8.938 -3.854 -21.242 1.00 0.00 C ATOM 488 CE LYS A 34 10.066 -4.775 -21.728 1.00 0.00 C ATOM 489 NZ LYS A 34 11.356 -4.073 -21.608 1.00 0.00 N ATOM 0 H LYS A 34 8.112 -4.983 -17.456 1.00 0.00 H new ATOM 0 HA LYS A 34 6.535 -2.484 -17.484 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.599 -2.220 -19.739 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.782 -2.340 -18.452 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.676 -4.272 -19.272 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.106 -4.973 -19.612 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.021 -4.061 -21.794 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.196 -2.812 -21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.082 -5.692 -21.138 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.892 -5.066 -22.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.122 -4.695 -21.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.337 -3.211 -22.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.521 -3.817 -20.614 1.00 0.00 H new ATOM 503 N VAL A 35 4.684 -3.200 -18.936 1.00 0.00 N ATOM 504 CA VAL A 35 3.457 -3.731 -19.530 1.00 0.00 C ATOM 505 C VAL A 35 2.545 -2.629 -20.025 1.00 0.00 C ATOM 506 O VAL A 35 2.846 -1.434 -19.927 1.00 0.00 O ATOM 507 CB VAL A 35 2.695 -4.629 -18.476 1.00 0.00 C ATOM 508 CG1 VAL A 35 3.342 -6.002 -18.147 1.00 0.00 C ATOM 509 CG2 VAL A 35 2.476 -3.944 -17.106 1.00 0.00 C ATOM 0 H VAL A 35 4.636 -2.216 -18.671 1.00 0.00 H new ATOM 0 HA VAL A 35 3.741 -4.335 -20.392 1.00 0.00 H new ATOM 0 HB VAL A 35 1.757 -4.786 -19.009 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.730 -6.526 -17.413 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.410 -6.599 -19.056 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.341 -5.845 -17.740 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.947 -4.625 -16.439 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.441 -3.686 -16.670 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.886 -3.038 -17.242 1.00 0.00 H new ATOM 519 N TYR A 36 1.402 -3.042 -20.543 1.00 0.00 N ATOM 520 CA TYR A 36 0.336 -2.121 -20.932 1.00 0.00 C ATOM 521 C TYR A 36 -0.783 -2.156 -19.919 1.00 0.00 C ATOM 522 O TYR A 36 -1.656 -3.042 -19.952 1.00 0.00 O ATOM 523 CB TYR A 36 -0.259 -2.506 -22.318 1.00 0.00 C ATOM 524 CG TYR A 36 -0.211 -1.449 -23.427 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.983 -0.289 -23.317 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.608 -1.629 -24.546 1.00 0.00 C ATOM 527 CE1 TYR A 36 -0.888 0.709 -24.283 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.703 -0.628 -25.510 1.00 0.00 C ATOM 529 CZ TYR A 36 -0.021 0.552 -25.362 1.00 0.00 C ATOM 530 OH TYR A 36 0.122 1.557 -26.276 1.00 0.00 O ATOM 0 H TYR A 36 1.182 -4.024 -20.708 1.00 0.00 H new ATOM 0 HA TYR A 36 0.772 -1.123 -20.984 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.266 -3.392 -22.675 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.301 -2.791 -22.170 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.655 -0.167 -22.480 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.168 -2.545 -24.663 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.486 1.604 -24.196 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.338 -0.767 -26.372 1.00 0.00 H new ATOM 0 HH TYR A 36 0.765 1.285 -26.963 1.00 0.00 H new ATOM 540 N MET A 37 -0.824 -1.196 -19.006 1.00 0.00 N ATOM 541 CA MET A 37 -1.769 -1.256 -17.894 1.00 0.00 C ATOM 542 C MET A 37 -2.966 -0.360 -18.139 1.00 0.00 C ATOM 543 O MET A 37 -3.007 0.529 -18.994 1.00 0.00 O ATOM 544 CB MET A 37 -1.102 -0.877 -16.538 1.00 0.00 C ATOM 545 CG MET A 37 0.412 -0.594 -16.538 1.00 0.00 C ATOM 546 SD MET A 37 0.749 0.939 -15.656 1.00 0.00 S ATOM 547 CE MET A 37 1.449 1.881 -17.018 1.00 0.00 C ATOM 0 H MET A 37 -0.221 -0.373 -19.010 1.00 0.00 H new ATOM 0 HA MET A 37 -2.106 -2.291 -17.832 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.608 0.007 -16.151 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.292 -1.687 -15.833 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.945 -1.420 -16.067 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.777 -0.522 -17.562 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.725 2.876 -16.668 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.335 1.370 -17.396 1.00 0.00 H new ATOM 0 HE3 MET A 37 0.712 1.969 -17.816 1.00 0.00 H new ATOM 557 N ALA A 38 -3.986 -0.591 -17.325 1.00 0.00 N ATOM 558 CA ALA A 38 -5.188 0.232 -17.266 1.00 0.00 C ATOM 559 C ALA A 38 -5.679 0.291 -15.832 1.00 0.00 C ATOM 560 O ALA A 38 -6.650 -0.360 -15.434 1.00 0.00 O ATOM 561 CB ALA A 38 -6.224 -0.345 -18.244 1.00 0.00 C ATOM 0 H ALA A 38 -4.002 -1.374 -16.671 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.990 1.259 -17.572 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.130 0.260 -18.212 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.816 -0.334 -19.255 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.461 -1.370 -17.960 1.00 0.00 H new ATOM 567 N ALA A 39 -4.968 1.065 -15.033 1.00 0.00 N ATOM 568 CA ALA A 39 -5.185 1.096 -13.592 1.00 0.00 C ATOM 569 C ALA A 39 -4.856 2.458 -13.024 1.00 0.00 C ATOM 570 O ALA A 39 -4.515 3.420 -13.730 1.00 0.00 O ATOM 571 CB ALA A 39 -4.334 -0.025 -12.970 1.00 0.00 C ATOM 0 H ALA A 39 -4.228 1.687 -15.358 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.235 0.924 -13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.473 -0.030 -11.889 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.643 -0.986 -13.380 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.282 0.146 -13.200 1.00 0.00 H new ATOM 577 N LYS A 40 -4.995 2.557 -11.715 1.00 0.00 N ATOM 578 CA LYS A 40 -4.733 3.793 -10.992 1.00 0.00 C ATOM 579 C LYS A 40 -4.742 3.566 -9.497 1.00 0.00 C ATOM 580 O LYS A 40 -3.838 3.952 -8.752 1.00 0.00 O ATOM 581 CB LYS A 40 -5.813 4.840 -11.391 1.00 0.00 C ATOM 582 CG LYS A 40 -6.990 4.311 -12.263 1.00 0.00 C ATOM 583 CD LYS A 40 -7.814 3.145 -11.699 1.00 0.00 C ATOM 584 CE LYS A 40 -8.918 2.793 -12.708 1.00 0.00 C ATOM 585 NZ LYS A 40 -8.363 1.906 -13.746 1.00 0.00 N ATOM 0 H LYS A 40 -5.293 1.784 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.742 4.161 -11.257 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.228 5.270 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.323 5.650 -11.931 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.669 5.142 -12.454 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.584 4.003 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.174 2.281 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.252 3.420 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.748 2.302 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.314 3.701 -13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.065 1.775 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.502 2.333 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.130 0.984 -13.326 1.00 0.00 H new ATOM 599 N ALA A 41 -5.784 2.891 -9.050 1.00 0.00 N ATOM 600 CA ALA A 41 -6.092 2.702 -7.636 1.00 0.00 C ATOM 601 C ALA A 41 -7.521 2.218 -7.481 1.00 0.00 C ATOM 602 O ALA A 41 -7.792 1.045 -7.222 1.00 0.00 O ATOM 603 CB ALA A 41 -5.827 4.031 -6.910 1.00 0.00 C ATOM 0 H ALA A 41 -6.459 2.446 -9.672 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.458 1.936 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.050 3.917 -5.849 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.781 4.310 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.462 4.809 -7.333 1.00 0.00 H new ATOM 609 N GLY A 42 -8.434 3.159 -7.632 1.00 0.00 N ATOM 610 CA GLY A 42 -9.867 2.906 -7.704 1.00 0.00 C ATOM 611 C GLY A 42 -10.145 1.598 -8.414 1.00 0.00 C ATOM 612 O GLY A 42 -11.150 0.930 -8.121 1.00 0.00 O ATOM 0 H GLY A 42 -8.197 4.148 -7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.287 2.876 -6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.360 3.723 -8.231 1.00 0.00 H new ATOM 616 N ARG A 43 -9.299 1.222 -9.355 1.00 0.00 N ATOM 617 CA ARG A 43 -9.361 -0.097 -9.982 1.00 0.00 C ATOM 618 C ARG A 43 -8.020 -0.491 -10.560 1.00 0.00 C ATOM 619 O ARG A 43 -7.028 0.240 -10.477 1.00 0.00 O ATOM 620 CB ARG A 43 -10.449 -0.097 -11.093 1.00 0.00 C ATOM 621 CG ARG A 43 -11.823 0.525 -10.716 1.00 0.00 C ATOM 622 CD ARG A 43 -12.987 -0.458 -10.897 1.00 0.00 C ATOM 623 NE ARG A 43 -13.780 -0.042 -12.081 1.00 0.00 N ATOM 624 CZ ARG A 43 -14.898 -0.620 -12.501 1.00 0.00 C ATOM 625 NH1 ARG A 43 -15.454 -1.645 -11.927 1.00 0.00 N ATOM 626 NH2 ARG A 43 -15.463 -0.129 -13.546 1.00 0.00 N ATOM 0 H ARG A 43 -8.549 1.816 -9.710 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.623 -0.830 -9.219 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.056 0.441 -11.956 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.615 -1.127 -11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.793 0.860 -9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.999 1.407 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.609 -1.471 -11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.615 -0.469 -10.006 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.437 0.755 -12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.029 -2.057 -11.096 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.315 -2.037 -12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.050 0.675 -14.019 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.324 -0.543 -13.902 1.00 0.00 H new ATOM 640 N ILE A 44 -7.978 -1.656 -11.182 1.00 0.00 N ATOM 641 CA ILE A 44 -6.816 -2.127 -11.929 1.00 0.00 C ATOM 642 C ILE A 44 -7.251 -2.899 -13.155 1.00 0.00 C ATOM 643 O ILE A 44 -8.353 -3.466 -13.193 1.00 0.00 O ATOM 644 CB ILE A 44 -5.834 -2.984 -11.026 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.580 -2.218 -10.493 1.00 0.00 C ATOM 646 CG2 ILE A 44 -5.330 -4.280 -11.738 1.00 0.00 C ATOM 647 CD1 ILE A 44 -4.831 -1.083 -9.481 1.00 0.00 C ATOM 0 H ILE A 44 -8.758 -2.313 -11.185 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.257 -1.250 -12.255 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.464 -3.235 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.912 -2.944 -10.029 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.051 -1.798 -11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.662 -4.825 -11.071 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.182 -4.910 -11.992 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.794 -4.010 -12.648 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.880 -0.636 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.466 -0.323 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.325 -1.486 -8.597 1.00 0.00 H new ATOM 659 N SER A 45 -6.428 -2.919 -14.185 1.00 0.00 N ATOM 660 CA SER A 45 -6.648 -3.760 -15.362 1.00 0.00 C ATOM 661 C SER A 45 -5.334 -4.070 -16.040 1.00 0.00 C ATOM 662 O SER A 45 -4.617 -3.141 -16.472 1.00 0.00 O ATOM 663 CB SER A 45 -7.659 -3.107 -16.335 1.00 0.00 C ATOM 664 OG SER A 45 -7.783 -3.821 -17.570 1.00 0.00 O ATOM 0 H SER A 45 -5.582 -2.352 -14.236 1.00 0.00 H new ATOM 0 HA SER A 45 -7.085 -4.704 -15.036 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.635 -3.051 -15.853 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.347 -2.083 -16.542 1.00 0.00 H new ATOM 0 HG SER A 45 -8.542 -3.466 -18.078 1.00 0.00 H new ATOM 670 N PHE A 46 -4.972 -5.331 -16.187 1.00 0.00 N ATOM 671 CA PHE A 46 -3.634 -5.690 -16.686 1.00 0.00 C ATOM 672 C PHE A 46 -3.645 -6.371 -18.041 1.00 0.00 C ATOM 673 O PHE A 46 -4.451 -7.260 -18.329 1.00 0.00 O ATOM 674 CB PHE A 46 -2.965 -6.657 -15.663 1.00 0.00 C ATOM 675 CG PHE A 46 -2.603 -6.044 -14.302 1.00 0.00 C ATOM 676 CD1 PHE A 46 -1.960 -4.800 -14.258 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.960 -6.676 -13.109 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.721 -4.177 -13.038 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.720 -6.050 -11.888 1.00 0.00 C ATOM 680 CZ PHE A 46 -2.148 -4.779 -11.857 1.00 0.00 C ATOM 0 H PHE A 46 -5.572 -6.127 -15.973 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.084 -4.756 -16.801 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.637 -7.498 -15.494 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.057 -7.059 -16.112 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.649 -4.323 -15.176 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.423 -7.652 -13.133 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.205 -3.229 -13.006 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.977 -6.549 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.036 -4.261 -10.916 1.00 0.00 H new ATOM 690 N TYR A 47 -2.746 -5.932 -18.907 1.00 0.00 N ATOM 691 CA TYR A 47 -2.506 -6.577 -20.195 1.00 0.00 C ATOM 692 C TYR A 47 -1.154 -6.197 -20.757 1.00 0.00 C ATOM 693 O TYR A 47 -0.951 -5.103 -21.303 1.00 0.00 O ATOM 694 CB TYR A 47 -3.593 -6.163 -21.230 1.00 0.00 C ATOM 695 CG TYR A 47 -3.712 -4.670 -21.561 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.250 -3.772 -20.634 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.289 -4.202 -22.810 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.421 -2.433 -20.978 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.490 -2.870 -23.162 1.00 0.00 C ATOM 700 CZ TYR A 47 -4.068 -1.990 -22.250 1.00 0.00 C ATOM 701 OH TYR A 47 -4.287 -0.688 -22.602 1.00 0.00 O ATOM 0 H TYR A 47 -2.158 -5.115 -18.739 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.541 -7.653 -20.022 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.398 -6.700 -22.158 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.560 -6.505 -20.860 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.533 -4.117 -19.650 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.806 -4.875 -23.502 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.827 -1.738 -20.258 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.198 -2.520 -24.141 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.476 -0.319 -23.011 1.00 0.00 H new ATOM 711 N LYS A 48 -0.192 -7.104 -20.667 1.00 0.00 N ATOM 712 CA LYS A 48 1.137 -6.873 -21.234 1.00 0.00 C ATOM 713 C LYS A 48 1.020 -6.445 -22.682 1.00 0.00 C ATOM 714 O LYS A 48 1.714 -5.561 -23.191 1.00 0.00 O ATOM 715 CB LYS A 48 1.996 -8.158 -21.087 1.00 0.00 C ATOM 716 CG LYS A 48 3.435 -8.008 -21.638 1.00 0.00 C ATOM 717 CD LYS A 48 4.370 -9.179 -21.319 1.00 0.00 C ATOM 718 CE LYS A 48 5.543 -9.175 -22.308 1.00 0.00 C ATOM 719 NZ LYS A 48 6.628 -10.024 -21.783 1.00 0.00 N ATOM 0 H LYS A 48 -0.303 -8.008 -20.208 1.00 0.00 H new ATOM 0 HA LYS A 48 1.632 -6.068 -20.691 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.046 -8.433 -20.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.500 -8.978 -21.607 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.384 -7.886 -22.720 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.870 -7.094 -21.235 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.740 -9.096 -20.297 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.827 -10.122 -21.385 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.215 -9.544 -23.280 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.903 -8.157 -22.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.424 -10.023 -22.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.946 -9.653 -20.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.280 -10.996 -21.661 1.00 0.00 H new ATOM 733 N ASP A 49 0.085 -7.080 -23.374 1.00 0.00 N ATOM 734 CA ASP A 49 -0.308 -6.721 -24.732 1.00 0.00 C ATOM 735 C ASP A 49 -1.398 -7.652 -25.226 1.00 0.00 C ATOM 736 O ASP A 49 -1.184 -8.859 -25.350 1.00 0.00 O ATOM 737 CB ASP A 49 0.906 -6.711 -25.696 1.00 0.00 C ATOM 738 CG ASP A 49 1.702 -8.014 -25.841 1.00 0.00 C ATOM 739 OD1 ASP A 49 1.779 -8.725 -24.675 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.228 -8.362 -26.890 1.00 0.00 O ATOM 0 H ASP A 49 -0.433 -7.876 -23.001 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.705 -5.706 -24.712 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.549 -6.423 -26.685 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.593 -5.932 -25.365 1.00 0.00 H new ATOM 745 N GLN A 50 -2.542 -7.080 -25.541 1.00 0.00 N ATOM 746 CA GLN A 50 -3.789 -7.778 -25.846 1.00 0.00 C ATOM 747 C GLN A 50 -3.609 -9.224 -26.269 1.00 0.00 C ATOM 748 O GLN A 50 -3.722 -9.573 -27.447 1.00 0.00 O ATOM 749 CB GLN A 50 -4.507 -6.991 -26.971 1.00 0.00 C ATOM 750 CG GLN A 50 -4.376 -5.433 -26.947 1.00 0.00 C ATOM 751 CD GLN A 50 -4.244 -4.674 -28.274 1.00 0.00 C ATOM 752 OE1 GLN A 50 -3.199 -4.683 -28.905 1.00 0.00 O ATOM 753 NE2 GLN A 50 -5.270 -4.023 -28.760 1.00 0.00 N ATOM 0 H GLN A 50 -2.639 -6.066 -25.596 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.375 -7.816 -24.928 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.127 -7.347 -27.928 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.567 -7.242 -26.935 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.249 -5.038 -26.428 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.505 -5.186 -26.339 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.151 -4.004 -28.247 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.188 -3.534 -29.652 1.00 0.00 H new ATOM 762 N LYS A 51 -3.379 -10.099 -25.305 1.00 0.00 N ATOM 763 CA LYS A 51 -3.027 -11.500 -25.554 1.00 0.00 C ATOM 764 C LYS A 51 -4.098 -12.398 -24.988 1.00 0.00 C ATOM 765 O LYS A 51 -4.985 -12.868 -25.735 1.00 0.00 O ATOM 766 CB LYS A 51 -1.635 -11.833 -24.948 1.00 0.00 C ATOM 767 CG LYS A 51 -1.213 -11.049 -23.683 1.00 0.00 C ATOM 768 CD LYS A 51 -0.997 -11.894 -22.422 1.00 0.00 C ATOM 769 CE LYS A 51 -0.051 -13.056 -22.747 1.00 0.00 C ATOM 770 NZ LYS A 51 1.150 -12.536 -23.426 1.00 0.00 N ATOM 0 H LYS A 51 -3.430 -9.861 -24.314 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.964 -11.668 -26.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.615 -12.896 -24.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.882 -11.665 -25.718 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.290 -10.512 -23.901 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.975 -10.300 -23.470 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.577 -11.279 -21.626 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.951 -12.277 -22.059 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.232 -13.576 -21.832 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.556 -13.783 -23.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.936 -13.206 -23.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.952 -12.418 -24.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.411 -11.617 -23.015 1.00 0.00 H new ATOM 784 N GLY A 52 -4.038 -12.689 -23.704 1.00 0.00 N ATOM 785 CA GLY A 52 -5.187 -13.368 -23.057 1.00 0.00 C ATOM 786 C GLY A 52 -6.417 -12.524 -23.442 1.00 0.00 C ATOM 787 O GLY A 52 -7.507 -13.010 -23.743 1.00 0.00 O ATOM 0 H GLY A 52 -3.248 -12.484 -23.092 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.287 -14.395 -23.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.061 -13.412 -21.975 1.00 0.00 H new ATOM 791 N TYR A 53 -6.180 -11.224 -23.455 1.00 0.00 N ATOM 792 CA TYR A 53 -7.123 -10.233 -23.956 1.00 0.00 C ATOM 793 C TYR A 53 -7.531 -10.549 -25.380 1.00 0.00 C ATOM 794 O TYR A 53 -8.738 -10.563 -25.699 1.00 0.00 O ATOM 795 CB TYR A 53 -6.492 -8.810 -23.944 1.00 0.00 C ATOM 796 CG TYR A 53 -7.091 -7.771 -22.989 1.00 0.00 C ATOM 797 CD1 TYR A 53 -6.750 -7.796 -21.633 1.00 0.00 C ATOM 798 CD2 TYR A 53 -7.978 -6.797 -23.458 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.213 -6.802 -20.776 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.458 -5.816 -22.593 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.038 -5.792 -21.266 1.00 0.00 C ATOM 802 OH TYR A 53 -8.440 -4.778 -20.444 1.00 0.00 O ATOM 0 H TYR A 53 -5.310 -10.817 -23.111 1.00 0.00 H new ATOM 0 HA TYR A 53 -7.994 -10.261 -23.301 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.434 -8.915 -23.704 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.551 -8.409 -24.956 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.125 -8.589 -21.250 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.291 -6.805 -24.492 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.933 -6.814 -19.733 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.156 -5.074 -22.952 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.955 -4.834 -19.594 1.00 0.00 H new ATOM 812 N LYS A 54 -6.583 -10.772 -26.271 1.00 0.00 N ATOM 813 CA LYS A 54 -6.865 -11.249 -27.627 1.00 0.00 C ATOM 814 C LYS A 54 -8.010 -12.238 -27.656 1.00 0.00 C ATOM 815 O LYS A 54 -8.927 -12.147 -28.480 1.00 0.00 O ATOM 816 CB LYS A 54 -5.583 -11.894 -28.220 1.00 0.00 C ATOM 817 CG LYS A 54 -5.391 -11.635 -29.734 1.00 0.00 C ATOM 818 CD LYS A 54 -4.239 -12.415 -30.377 1.00 0.00 C ATOM 819 CE LYS A 54 -3.169 -12.698 -29.315 1.00 0.00 C ATOM 820 NZ LYS A 54 -1.996 -13.322 -29.953 1.00 0.00 N ATOM 0 H LYS A 54 -5.591 -10.629 -26.082 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.166 -10.393 -28.231 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.715 -11.512 -27.683 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.616 -12.970 -28.047 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.316 -11.888 -30.252 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.220 -10.569 -29.888 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.607 -13.350 -30.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.810 -11.842 -31.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.878 -11.771 -28.821 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.571 -13.357 -28.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.270 -13.514 -29.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.280 -14.215 -30.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.608 -12.678 -30.672 1.00 0.00 H new ATOM 834 N SER A 55 -7.983 -13.187 -26.739 1.00 0.00 N ATOM 835 CA SER A 55 -9.013 -14.219 -26.663 1.00 0.00 C ATOM 836 C SER A 55 -10.144 -13.792 -25.757 1.00 0.00 C ATOM 837 O SER A 55 -11.204 -13.340 -26.206 1.00 0.00 O ATOM 838 CB SER A 55 -8.404 -15.572 -26.217 1.00 0.00 C ATOM 839 OG SER A 55 -9.396 -16.524 -25.816 1.00 0.00 O ATOM 0 H SER A 55 -7.255 -13.269 -26.029 1.00 0.00 H new ATOM 0 HA SER A 55 -9.431 -14.358 -27.660 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.818 -15.989 -27.036 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.717 -15.400 -25.389 1.00 0.00 H new ATOM 0 HG SER A 55 -8.958 -17.358 -25.546 1.00 0.00 H new ATOM 845 N ASN A 56 -9.937 -13.927 -24.461 1.00 0.00 N ATOM 846 CA ASN A 56 -10.988 -13.687 -23.475 1.00 0.00 C ATOM 847 C ASN A 56 -10.730 -12.413 -22.708 1.00 0.00 C ATOM 848 O ASN A 56 -9.592 -12.019 -22.467 1.00 0.00 O ATOM 849 CB ASN A 56 -11.079 -14.903 -22.508 1.00 0.00 C ATOM 850 CG ASN A 56 -11.853 -16.130 -23.004 1.00 0.00 C ATOM 851 OD1 ASN A 56 -11.922 -16.352 -24.288 1.00 0.00 O flip ATOM 852 ND2 ASN A 56 -12.398 -16.911 -22.238 1.00 0.00 N flip ATOM 0 H ASN A 56 -9.042 -14.204 -24.058 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.939 -13.571 -23.995 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.065 -15.218 -22.264 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.540 -14.564 -21.580 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.354 -16.753 -21.231 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.897 -17.721 -22.605 1.00 0.00 H new ATOM 859 N PRO A 57 -11.796 -11.746 -22.306 1.00 0.00 N ATOM 860 CA PRO A 57 -11.801 -10.496 -21.427 1.00 0.00 C ATOM 861 C PRO A 57 -11.552 -10.739 -19.956 1.00 0.00 C ATOM 862 O PRO A 57 -11.083 -9.848 -19.227 1.00 0.00 O ATOM 863 CB PRO A 57 -13.186 -9.887 -21.587 1.00 0.00 C ATOM 864 CG PRO A 57 -14.044 -11.157 -21.711 1.00 0.00 C ATOM 865 CD PRO A 57 -13.209 -12.068 -22.618 1.00 0.00 C ATOM 0 HA PRO A 57 -10.980 -9.856 -21.751 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.471 -9.277 -20.730 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.259 -9.251 -22.469 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -14.224 -11.616 -20.739 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.019 -10.941 -22.148 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.424 -13.119 -22.425 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.431 -11.885 -23.669 1.00 0.00 H new ATOM 873 N GLU A 58 -11.860 -11.928 -19.473 1.00 0.00 N ATOM 874 CA GLU A 58 -11.535 -12.323 -18.104 1.00 0.00 C ATOM 875 C GLU A 58 -10.095 -12.770 -17.976 1.00 0.00 C ATOM 876 O GLU A 58 -9.549 -12.825 -16.856 1.00 0.00 O ATOM 877 CB GLU A 58 -12.512 -13.456 -17.679 1.00 0.00 C ATOM 878 CG GLU A 58 -12.586 -14.725 -18.592 1.00 0.00 C ATOM 879 CD GLU A 58 -13.912 -15.488 -18.666 1.00 0.00 C ATOM 880 OE1 GLU A 58 -14.676 -15.589 -17.715 1.00 0.00 O ATOM 881 OE2 GLU A 58 -14.159 -16.042 -19.885 1.00 0.00 O ATOM 0 H GLU A 58 -12.341 -12.649 -20.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.650 -11.463 -17.444 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.236 -13.779 -16.675 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.513 -13.030 -17.613 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.319 -14.422 -19.605 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.819 -15.422 -18.255 1.00 0.00 H new ATOM 888 N LEU A 59 -9.442 -13.119 -19.068 1.00 0.00 N ATOM 889 CA LEU A 59 -8.060 -13.599 -19.030 1.00 0.00 C ATOM 890 C LEU A 59 -7.133 -12.672 -19.782 1.00 0.00 C ATOM 891 O LEU A 59 -7.515 -12.023 -20.763 1.00 0.00 O ATOM 892 CB LEU A 59 -7.974 -15.045 -19.596 1.00 0.00 C ATOM 893 CG LEU A 59 -9.194 -15.986 -19.397 1.00 0.00 C ATOM 894 CD1 LEU A 59 -9.117 -17.250 -20.270 1.00 0.00 C ATOM 895 CD2 LEU A 59 -9.319 -16.383 -17.920 1.00 0.00 C ATOM 0 H LEU A 59 -9.845 -13.081 -20.004 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.737 -13.613 -17.989 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.781 -14.972 -20.666 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.105 -15.527 -19.147 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.078 -15.430 -19.710 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.995 -17.871 -20.090 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.084 -16.965 -21.321 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.218 -17.812 -20.018 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.177 -17.043 -17.792 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.413 -16.901 -17.605 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.455 -15.488 -17.313 1.00 0.00 H new ATOM 907 N THR A 60 -5.898 -12.574 -19.323 1.00 0.00 N ATOM 908 CA THR A 60 -4.860 -11.832 -20.032 1.00 0.00 C ATOM 909 C THR A 60 -3.489 -12.364 -19.686 1.00 0.00 C ATOM 910 O THR A 60 -3.340 -13.462 -19.138 1.00 0.00 O ATOM 911 CB THR A 60 -4.960 -10.295 -19.721 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.019 -9.878 -18.742 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.319 -9.813 -19.163 1.00 0.00 C ATOM 0 H THR A 60 -5.583 -13.003 -18.453 1.00 0.00 H new ATOM 0 HA THR A 60 -5.016 -11.970 -21.102 1.00 0.00 H new ATOM 0 HB THR A 60 -4.783 -9.864 -20.706 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.029 -8.900 -18.674 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.278 -8.739 -18.984 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.106 -10.031 -19.884 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.532 -10.329 -18.227 1.00 0.00 H new ATOM 921 N PHE A 61 -2.477 -11.592 -20.034 1.00 0.00 N ATOM 922 CA PHE A 61 -1.111 -11.871 -19.608 1.00 0.00 C ATOM 923 C PHE A 61 -1.100 -12.259 -18.147 1.00 0.00 C ATOM 924 O PHE A 61 -1.783 -11.544 -17.351 1.00 0.00 O ATOM 925 CB PHE A 61 -0.231 -10.597 -19.782 1.00 0.00 C ATOM 926 CG PHE A 61 1.011 -10.474 -18.886 1.00 0.00 C ATOM 927 CD1 PHE A 61 2.167 -11.214 -19.147 1.00 0.00 C ATOM 928 CD2 PHE A 61 0.960 -9.653 -17.751 1.00 0.00 C ATOM 929 CE1 PHE A 61 3.279 -11.086 -18.319 1.00 0.00 C ATOM 930 CE2 PHE A 61 2.073 -9.527 -16.926 1.00 0.00 C ATOM 931 CZ PHE A 61 3.249 -10.205 -17.240 1.00 0.00 C ATOM 0 H PHE A 61 -2.573 -10.759 -20.615 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.716 -12.685 -20.216 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.096 -10.552 -20.821 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.861 -9.725 -19.608 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.198 -11.886 -19.992 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.053 -9.116 -17.516 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.166 -11.670 -18.513 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.026 -8.905 -16.044 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.138 -10.048 -16.647 1.00 0.00 H new ATOM 941 N ARG A 62 -0.427 -13.317 -17.738 1.00 0.00 N ATOM 942 CA ARG A 62 -0.506 -13.731 -16.328 1.00 0.00 C ATOM 943 C ARG A 62 -0.266 -12.535 -15.442 1.00 0.00 C ATOM 944 O ARG A 62 0.658 -11.736 -15.646 1.00 0.00 O ATOM 945 CB ARG A 62 0.498 -14.879 -16.048 1.00 0.00 C ATOM 946 CG ARG A 62 0.089 -16.263 -16.623 1.00 0.00 C ATOM 947 CD ARG A 62 1.303 -17.138 -16.959 1.00 0.00 C ATOM 948 NE ARG A 62 0.879 -18.561 -16.962 1.00 0.00 N ATOM 949 CZ ARG A 62 1.695 -19.606 -17.014 1.00 0.00 C ATOM 950 NH1 ARG A 62 2.988 -19.523 -17.130 1.00 0.00 N ATOM 951 NH2 ARG A 62 1.167 -20.776 -16.946 1.00 0.00 N ATOM 0 H ARG A 62 0.166 -13.898 -18.331 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.501 -14.118 -16.108 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.468 -14.603 -16.462 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.627 -14.974 -14.970 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.541 -16.782 -15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.510 -16.117 -17.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.709 -16.863 -17.932 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.096 -16.982 -16.227 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.122 -18.751 -16.921 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.437 -18.609 -17.187 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.553 -20.372 -17.164 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.156 -20.875 -16.856 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.759 -21.606 -16.982 1.00 0.00 H new ATOM 965 N GLY A 63 -1.114 -12.380 -14.451 1.00 0.00 N ATOM 966 CA GLY A 63 -1.206 -11.137 -13.665 1.00 0.00 C ATOM 967 C GLY A 63 -2.303 -10.301 -14.386 1.00 0.00 C ATOM 968 O GLY A 63 -2.266 -9.077 -14.508 1.00 0.00 O ATOM 0 H GLY A 63 -1.768 -13.105 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.479 -11.341 -12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.253 -10.608 -13.645 1.00 0.00 H new ATOM 972 N GLU A 64 -3.273 -11.035 -14.882 1.00 0.00 N ATOM 973 CA GLU A 64 -4.294 -10.568 -15.816 1.00 0.00 C ATOM 974 C GLU A 64 -5.434 -9.771 -15.202 1.00 0.00 C ATOM 975 O GLU A 64 -5.971 -8.856 -15.843 1.00 0.00 O ATOM 976 CB GLU A 64 -4.821 -11.836 -16.577 1.00 0.00 C ATOM 977 CG GLU A 64 -5.482 -12.998 -15.762 1.00 0.00 C ATOM 978 CD GLU A 64 -5.221 -14.439 -16.206 1.00 0.00 C ATOM 979 OE1 GLU A 64 -4.321 -14.747 -16.976 1.00 0.00 O ATOM 980 OE2 GLU A 64 -6.082 -15.345 -15.662 1.00 0.00 O ATOM 0 H GLU A 64 -3.384 -12.020 -14.640 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.830 -9.844 -16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.549 -11.497 -17.314 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.982 -12.259 -17.129 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.154 -12.905 -14.727 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.560 -12.838 -15.771 1.00 0.00 H new ATOM 987 N PRO A 65 -5.842 -10.072 -13.990 1.00 0.00 N ATOM 988 CA PRO A 65 -7.020 -9.519 -13.198 1.00 0.00 C ATOM 989 C PRO A 65 -7.153 -8.006 -13.118 1.00 0.00 C ATOM 990 O PRO A 65 -6.535 -7.202 -13.829 1.00 0.00 O ATOM 991 CB PRO A 65 -6.840 -10.040 -11.777 1.00 0.00 C ATOM 992 CG PRO A 65 -6.170 -11.404 -12.025 1.00 0.00 C ATOM 993 CD PRO A 65 -5.166 -11.110 -13.132 1.00 0.00 C ATOM 0 HA PRO A 65 -7.921 -9.844 -13.719 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.214 -9.380 -11.176 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.791 -10.141 -11.255 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -5.679 -11.779 -11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.895 -12.158 -12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.225 -10.738 -12.726 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.933 -12.008 -13.705 1.00 0.00 H new ATOM 1001 N SER A 66 -8.036 -7.589 -12.210 1.00 0.00 N ATOM 1002 CA SER A 66 -8.439 -6.198 -12.041 1.00 0.00 C ATOM 1003 C SER A 66 -8.766 -5.913 -10.591 1.00 0.00 C ATOM 1004 O SER A 66 -9.215 -6.819 -9.858 1.00 0.00 O ATOM 1005 CB SER A 66 -9.630 -5.855 -12.968 1.00 0.00 C ATOM 1006 OG SER A 66 -9.255 -5.760 -14.347 1.00 0.00 O ATOM 0 H SER A 66 -8.499 -8.224 -11.560 1.00 0.00 H new ATOM 0 HA SER A 66 -7.605 -5.558 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.401 -6.618 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.070 -4.910 -12.651 1.00 0.00 H new ATOM 0 HG SER A 66 -10.044 -5.543 -14.886 1.00 0.00 H new ATOM 1012 N TYR A 67 -8.584 -4.692 -10.125 1.00 0.00 N ATOM 1013 CA TYR A 67 -8.884 -4.337 -8.737 1.00 0.00 C ATOM 1014 C TYR A 67 -10.020 -3.340 -8.650 1.00 0.00 C ATOM 1015 O TYR A 67 -10.557 -2.836 -9.640 1.00 0.00 O ATOM 1016 CB TYR A 67 -7.645 -3.709 -8.032 1.00 0.00 C ATOM 1017 CG TYR A 67 -6.429 -4.626 -7.851 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -6.572 -6.007 -8.029 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -5.181 -4.103 -7.501 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -5.484 -6.855 -7.844 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -4.105 -4.958 -7.274 1.00 0.00 C ATOM 1022 CZ TYR A 67 -4.243 -6.326 -7.496 1.00 0.00 C ATOM 1023 OH TYR A 67 -3.159 -7.147 -7.372 1.00 0.00 O ATOM 0 H TYR A 67 -8.227 -3.919 -10.687 1.00 0.00 H new ATOM 0 HA TYR A 67 -9.167 -5.265 -8.241 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.332 -2.835 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.954 -3.353 -7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.531 -6.416 -8.311 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.051 -3.035 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.602 -7.921 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.163 -4.560 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.373 -6.616 -7.125 1.00 0.00 H new ATOM 1033 N ASP A 68 -10.425 -3.065 -7.423 1.00 0.00 N ATOM 1034 CA ASP A 68 -11.394 -2.023 -7.095 1.00 0.00 C ATOM 1035 C ASP A 68 -10.964 -1.310 -5.831 1.00 0.00 C ATOM 1036 O ASP A 68 -11.515 -1.528 -4.745 1.00 0.00 O ATOM 1037 CB ASP A 68 -12.826 -2.610 -6.980 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.873 -1.737 -6.272 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.667 -0.399 -6.468 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.798 -2.201 -5.622 1.00 0.00 O ATOM 0 H ASP A 68 -10.084 -3.569 -6.605 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.423 -1.291 -7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.187 -2.827 -7.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.763 -3.561 -6.452 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.959 -0.463 -5.946 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.309 0.147 -4.783 1.00 0.00 C ATOM 1047 C LEU A 69 -9.521 1.637 -4.629 1.00 0.00 C ATOM 1048 O LEU A 69 -8.679 2.450 -5.055 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.775 -0.153 -4.840 1.00 0.00 C ATOM 1050 CG LEU A 69 -7.317 -1.604 -4.541 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -5.985 -1.894 -5.244 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -7.193 -1.896 -3.037 1.00 0.00 C ATOM 0 H LEU A 69 -9.565 -0.174 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.784 -0.304 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.417 0.115 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.276 0.510 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.092 -2.264 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.674 -2.916 -5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.108 -1.773 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.226 -1.199 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.869 -2.927 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.461 -1.220 -2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.160 -1.749 -2.557 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.600 2.054 -3.999 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.772 3.440 -3.583 1.00 0.00 C ATOM 1066 C GLN A 70 -10.258 3.631 -2.170 1.00 0.00 C ATOM 1067 O GLN A 70 -10.562 4.588 -1.451 1.00 0.00 O ATOM 1068 CB GLN A 70 -12.265 3.815 -3.668 1.00 0.00 C ATOM 1069 CG GLN A 70 -13.259 2.627 -3.918 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.695 2.925 -4.360 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -15.065 4.070 -4.576 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -15.558 1.950 -4.487 1.00 0.00 N ATOM 0 H GLN A 70 -11.384 1.447 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.200 4.091 -4.245 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.548 4.310 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.391 4.543 -4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.812 1.981 -4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.315 2.048 -2.996 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.270 0.988 -4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.519 2.152 -4.762 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.465 2.671 -1.725 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.962 2.540 -0.363 1.00 0.00 C ATOM 1083 C ASN A 71 -7.531 3.012 -0.267 1.00 0.00 C ATOM 1084 O ASN A 71 -7.102 3.666 0.689 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.069 1.042 0.055 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.398 0.573 0.659 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.669 0.699 1.843 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.274 0.012 -0.132 1.00 0.00 N ATOM 0 H ASN A 71 -9.136 1.922 -2.334 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.556 3.161 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.864 0.431 -0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.279 0.836 0.777 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.166 -0.312 0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.066 -0.102 -1.124 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.753 2.651 -1.279 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.314 2.889 -1.294 1.00 0.00 C ATOM 1097 C ALA A 72 -4.991 4.360 -1.150 1.00 0.00 C ATOM 1098 O ALA A 72 -5.863 5.234 -1.101 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.757 2.288 -2.598 1.00 0.00 C ATOM 0 H ALA A 72 -7.102 2.183 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.840 2.406 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.680 2.449 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.966 1.218 -2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.231 2.771 -3.453 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.701 4.653 -1.105 1.00 0.00 N ATOM 1106 CA ALA A 73 -3.205 6.012 -0.916 1.00 0.00 C ATOM 1107 C ALA A 73 -2.169 6.359 -1.961 1.00 0.00 C ATOM 1108 O ALA A 73 -2.051 5.705 -3.003 1.00 0.00 O ATOM 1109 CB ALA A 73 -2.663 6.115 0.520 1.00 0.00 C ATOM 0 H ALA A 73 -2.964 3.954 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.005 6.741 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.283 7.122 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.464 5.902 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.857 5.394 0.657 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.384 7.384 -1.687 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.393 7.880 -2.640 1.00 0.00 C ATOM 1117 C ILE A 74 0.982 7.930 -2.016 1.00 0.00 C ATOM 1118 O ILE A 74 1.144 7.965 -0.792 1.00 0.00 O ATOM 1119 CB ILE A 74 -0.818 9.282 -3.238 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -1.672 9.203 -4.544 1.00 0.00 C ATOM 1121 CG2 ILE A 74 0.400 10.217 -3.511 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -2.005 10.552 -5.214 1.00 0.00 C ATOM 0 H ILE A 74 -1.410 7.897 -0.806 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.349 7.178 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.444 9.701 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.141 8.582 -5.266 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.607 8.693 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.047 11.164 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.934 10.401 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.072 9.741 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.600 10.376 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.570 11.174 -4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.080 11.061 -5.487 1.00 0.00 H new ATOM 1134 N GLU A 75 2.001 7.926 -2.857 1.00 0.00 N ATOM 1135 CA GLU A 75 3.380 8.056 -2.398 1.00 0.00 C ATOM 1136 C GLU A 75 4.324 8.265 -3.559 1.00 0.00 C ATOM 1137 O GLU A 75 4.006 7.994 -4.722 1.00 0.00 O ATOM 1138 CB GLU A 75 3.754 6.778 -1.594 1.00 0.00 C ATOM 1139 CG GLU A 75 4.728 6.953 -0.382 1.00 0.00 C ATOM 1140 CD GLU A 75 4.329 7.914 0.740 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.432 7.670 1.537 1.00 0.00 O ATOM 1142 OE2 GLU A 75 5.063 9.061 0.768 1.00 0.00 O ATOM 0 H GLU A 75 1.902 7.834 -3.868 1.00 0.00 H new ATOM 0 HA GLU A 75 3.471 8.932 -1.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.832 6.330 -1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.200 6.063 -2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.884 5.970 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.690 7.282 -0.774 1.00 0.00 H new ATOM 1149 N ILE A 76 5.504 8.775 -3.257 1.00 0.00 N ATOM 1150 CA ILE A 76 6.580 8.908 -4.234 1.00 0.00 C ATOM 1151 C ILE A 76 7.735 7.999 -3.887 1.00 0.00 C ATOM 1152 O ILE A 76 7.859 7.508 -2.756 1.00 0.00 O ATOM 1153 CB ILE A 76 7.040 10.416 -4.382 1.00 0.00 C ATOM 1154 CG1 ILE A 76 5.877 11.432 -4.624 1.00 0.00 C ATOM 1155 CG2 ILE A 76 8.100 10.617 -5.508 1.00 0.00 C ATOM 1156 CD1 ILE A 76 5.340 12.151 -3.369 1.00 0.00 C ATOM 0 H ILE A 76 5.748 9.111 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 76 6.197 8.595 -5.205 1.00 0.00 H new ATOM 0 HB ILE A 76 7.481 10.631 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.220 12.186 -5.332 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.050 10.903 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.377 11.670 -5.563 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.984 10.020 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.680 10.302 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.537 12.831 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.957 11.414 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.146 12.717 -2.901 1.00 0.00 H new ATOM 1168 N ALA A 77 8.619 7.770 -4.842 1.00 0.00 N ATOM 1169 CA ALA A 77 9.748 6.864 -4.643 1.00 0.00 C ATOM 1170 C ALA A 77 10.595 7.297 -3.469 1.00 0.00 C ATOM 1171 O ALA A 77 10.792 8.490 -3.211 1.00 0.00 O ATOM 1172 CB ALA A 77 10.540 6.810 -5.961 1.00 0.00 C ATOM 0 H ALA A 77 8.581 8.198 -5.767 1.00 0.00 H new ATOM 0 HA ALA A 77 9.400 5.861 -4.395 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.392 6.140 -5.846 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.894 6.442 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.895 7.809 -6.213 1.00 0.00 H new ATOM 1178 N SER A 78 11.132 6.329 -2.748 1.00 0.00 N ATOM 1179 CA SER A 78 11.947 6.598 -1.567 1.00 0.00 C ATOM 1180 C SER A 78 13.308 5.952 -1.688 1.00 0.00 C ATOM 1181 O SER A 78 14.353 6.595 -1.541 1.00 0.00 O ATOM 1182 CB SER A 78 11.214 6.146 -0.279 1.00 0.00 C ATOM 1183 OG SER A 78 12.083 6.063 0.857 1.00 0.00 O ATOM 0 H SER A 78 11.019 5.338 -2.959 1.00 0.00 H new ATOM 0 HA SER A 78 12.103 7.675 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 78 10.407 6.845 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.755 5.172 -0.451 1.00 0.00 H new ATOM 0 HG SER A 78 11.570 5.776 1.641 1.00 0.00 H new ATOM 1189 N ASP A 79 13.314 4.662 -1.970 1.00 0.00 N ATOM 1190 CA ASP A 79 14.539 3.922 -2.259 1.00 0.00 C ATOM 1191 C ASP A 79 14.737 3.788 -3.752 1.00 0.00 C ATOM 1192 O ASP A 79 14.826 2.693 -4.315 1.00 0.00 O ATOM 1193 CB ASP A 79 14.519 2.545 -1.546 1.00 0.00 C ATOM 1194 CG ASP A 79 15.881 1.934 -1.186 1.00 0.00 C ATOM 1195 OD1 ASP A 79 16.930 2.748 -1.511 1.00 0.00 O ATOM 1196 OD2 ASP A 79 16.001 0.844 -0.646 1.00 0.00 O ATOM 0 H ASP A 79 12.469 4.092 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 79 15.392 4.478 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.938 2.645 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.988 1.839 -2.184 1.00 0.00 H new ATOM 1201 N TYR A 80 14.786 4.928 -4.420 1.00 0.00 N ATOM 1202 CA TYR A 80 14.819 4.989 -5.878 1.00 0.00 C ATOM 1203 C TYR A 80 16.231 4.983 -6.421 1.00 0.00 C ATOM 1204 O TYR A 80 17.159 5.612 -5.900 1.00 0.00 O ATOM 1205 CB TYR A 80 14.128 6.293 -6.384 1.00 0.00 C ATOM 1206 CG TYR A 80 14.858 7.610 -6.102 1.00 0.00 C ATOM 1207 CD1 TYR A 80 16.018 7.951 -6.805 1.00 0.00 C ATOM 1208 CD2 TYR A 80 14.368 8.480 -5.122 1.00 0.00 C ATOM 1209 CE1 TYR A 80 16.706 9.121 -6.494 1.00 0.00 C ATOM 1210 CE2 TYR A 80 15.080 9.627 -4.783 1.00 0.00 C ATOM 1211 CZ TYR A 80 16.240 9.955 -5.481 1.00 0.00 C ATOM 1212 OH TYR A 80 16.925 11.095 -5.170 1.00 0.00 O ATOM 0 H TYR A 80 14.804 5.842 -3.968 1.00 0.00 H new ATOM 0 HA TYR A 80 14.294 4.102 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR A 80 13.985 6.207 -7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 80 13.137 6.350 -5.934 1.00 0.00 H new ATOM 0 HD1 TYR A 80 16.381 7.305 -7.591 1.00 0.00 H new ATOM 0 HD2 TYR A 80 13.434 8.261 -4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 80 17.601 9.382 -7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.734 10.261 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 80 16.466 11.564 -4.442 1.00 0.00 H new ATOM 1222 N THR A 81 16.421 4.225 -7.485 1.00 0.00 N ATOM 1223 CA THR A 81 17.651 4.221 -8.273 1.00 0.00 C ATOM 1224 C THR A 81 17.319 4.726 -9.667 1.00 0.00 C ATOM 1225 O THR A 81 16.929 4.000 -10.588 1.00 0.00 O ATOM 1226 CB THR A 81 18.314 2.795 -8.246 1.00 0.00 C ATOM 1227 OG1 THR A 81 19.709 2.910 -7.995 1.00 0.00 O ATOM 1228 CG2 THR A 81 18.237 1.933 -9.530 1.00 0.00 C ATOM 0 H THR A 81 15.714 3.580 -7.837 1.00 0.00 H new ATOM 0 HA THR A 81 18.400 4.891 -7.850 1.00 0.00 H new ATOM 0 HB THR A 81 17.726 2.298 -7.474 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.113 2.017 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 81 18.737 0.980 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 81 17.193 1.755 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 81 18.727 2.457 -10.350 1.00 0.00 H new ATOM 1236 N LYS A 82 17.444 6.036 -9.830 1.00 0.00 N ATOM 1237 CA LYS A 82 16.967 6.704 -11.037 1.00 0.00 C ATOM 1238 C LYS A 82 15.496 6.393 -11.249 1.00 0.00 C ATOM 1239 O LYS A 82 14.951 6.431 -12.357 1.00 0.00 O ATOM 1240 CB LYS A 82 17.834 6.278 -12.253 1.00 0.00 C ATOM 1241 CG LYS A 82 19.292 6.806 -12.162 1.00 0.00 C ATOM 1242 CD LYS A 82 19.488 8.242 -12.655 1.00 0.00 C ATOM 1243 CE LYS A 82 20.058 8.217 -14.079 1.00 0.00 C ATOM 1244 NZ LYS A 82 20.194 9.597 -14.578 1.00 0.00 N ATOM 0 H LYS A 82 17.871 6.658 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 82 17.064 7.784 -10.927 1.00 0.00 H new ATOM 0 HB2 LYS A 82 17.849 5.190 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.374 6.648 -13.170 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.621 6.745 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 82 19.939 6.147 -12.741 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.538 8.776 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.165 8.778 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 82 21.028 7.719 -14.085 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.402 7.645 -14.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.580 9.581 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.261 10.057 -14.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.837 10.129 -13.957 1.00 0.00 H new ATOM 1258 N LYS A 83 14.814 6.100 -10.158 1.00 0.00 N ATOM 1259 CA LYS A 83 13.366 5.904 -10.097 1.00 0.00 C ATOM 1260 C LYS A 83 12.669 7.017 -9.352 1.00 0.00 C ATOM 1261 O LYS A 83 11.487 6.940 -9.001 1.00 0.00 O ATOM 1262 CB LYS A 83 13.085 4.550 -9.384 1.00 0.00 C ATOM 1263 CG LYS A 83 13.736 3.323 -10.068 1.00 0.00 C ATOM 1264 CD LYS A 83 12.937 2.021 -9.946 1.00 0.00 C ATOM 1265 CE LYS A 83 13.356 1.289 -8.664 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.741 0.806 -8.805 1.00 0.00 N ATOM 0 H LYS A 83 15.266 5.986 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 83 12.977 5.903 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.445 4.612 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.007 4.395 -9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.879 3.547 -11.125 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.726 3.167 -9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.869 2.237 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.116 1.388 -10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.279 1.959 -7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.685 0.451 -8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.856 -0.079 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.948 0.634 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.398 1.522 -8.434 1.00 0.00 H new ATOM 1280 N LYS A 84 13.401 8.082 -9.048 1.00 0.00 N ATOM 1281 CA LYS A 84 12.794 9.291 -8.468 1.00 0.00 C ATOM 1282 C LYS A 84 11.976 10.124 -9.445 1.00 0.00 C ATOM 1283 O LYS A 84 11.480 11.213 -9.146 1.00 0.00 O ATOM 1284 CB LYS A 84 13.919 10.155 -7.835 1.00 0.00 C ATOM 1285 CG LYS A 84 14.017 11.611 -8.362 1.00 0.00 C ATOM 1286 CD LYS A 84 15.333 12.329 -8.052 1.00 0.00 C ATOM 1287 CE LYS A 84 15.042 13.574 -7.202 1.00 0.00 C ATOM 1288 NZ LYS A 84 16.247 14.421 -7.147 1.00 0.00 N ATOM 0 H LYS A 84 14.409 8.141 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 84 12.078 8.954 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.766 10.187 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.874 9.659 -8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.873 11.600 -9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.197 12.190 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.009 11.660 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.832 12.615 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.210 14.133 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.745 13.280 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.052 15.265 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.029 13.884 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.511 14.712 -8.110 1.00 0.00 H new ATOM 1302 N HIS A 85 11.796 9.580 -10.632 1.00 0.00 N ATOM 1303 CA HIS A 85 10.901 10.123 -11.648 1.00 0.00 C ATOM 1304 C HIS A 85 9.688 9.219 -11.770 1.00 0.00 C ATOM 1305 O HIS A 85 9.116 8.968 -12.833 1.00 0.00 O ATOM 1306 CB HIS A 85 11.695 10.173 -12.963 1.00 0.00 C ATOM 1307 CG HIS A 85 12.982 10.933 -12.819 1.00 0.00 C ATOM 1308 ND1 HIS A 85 14.129 10.370 -12.278 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 13.191 12.258 -13.194 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 15.114 11.324 -12.289 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 14.482 12.396 -12.837 1.00 0.00 N flip ATOM 0 H HIS A 85 12.276 8.730 -10.929 1.00 0.00 H new ATOM 0 HA HIS A 85 10.548 11.122 -11.392 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.910 9.157 -13.295 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.085 10.639 -13.737 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.513 12.970 -13.642 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.136 11.244 -11.948 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.972 13.280 -12.974 1.00 0.00 H new ATOM 1319 N VAL A 86 9.295 8.678 -10.625 1.00 0.00 N ATOM 1320 CA VAL A 86 8.252 7.664 -10.522 1.00 0.00 C ATOM 1321 C VAL A 86 7.163 8.112 -9.573 1.00 0.00 C ATOM 1322 O VAL A 86 7.195 9.209 -9.004 1.00 0.00 O ATOM 1323 CB VAL A 86 8.883 6.295 -10.046 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.945 6.071 -8.508 1.00 0.00 C ATOM 1325 CG2 VAL A 86 8.184 5.031 -10.607 1.00 0.00 C ATOM 0 H VAL A 86 9.699 8.936 -9.725 1.00 0.00 H new ATOM 0 HA VAL A 86 7.801 7.520 -11.504 1.00 0.00 H new ATOM 0 HB VAL A 86 9.889 6.411 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.396 5.101 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.546 6.856 -8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.937 6.099 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.684 4.140 -10.227 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.140 5.023 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.235 5.040 -11.696 1.00 0.00 H new ATOM 1335 N LEU A 87 6.189 7.247 -9.373 1.00 0.00 N ATOM 1336 CA LEU A 87 5.022 7.565 -8.554 1.00 0.00 C ATOM 1337 C LEU A 87 4.350 6.297 -8.085 1.00 0.00 C ATOM 1338 O LEU A 87 4.364 5.282 -8.807 1.00 0.00 O ATOM 1339 CB LEU A 87 4.042 8.470 -9.352 1.00 0.00 C ATOM 1340 CG LEU A 87 4.080 8.360 -10.905 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.703 8.592 -11.543 1.00 0.00 C ATOM 1342 CD2 LEU A 87 5.096 9.355 -11.480 1.00 0.00 C ATOM 0 H LEU A 87 6.178 6.307 -9.768 1.00 0.00 H new ATOM 0 HA LEU A 87 5.342 8.116 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.028 8.244 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 87 4.242 9.507 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 87 4.383 7.341 -11.147 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.785 8.504 -12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.999 7.847 -11.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.346 9.589 -11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.114 9.269 -12.566 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.810 10.369 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.086 9.135 -11.082 1.00 0.00 H new ATOM 1354 N ARG A 88 3.732 6.303 -6.922 1.00 0.00 N ATOM 1355 CA ARG A 88 3.224 5.071 -6.321 1.00 0.00 C ATOM 1356 C ARG A 88 1.946 5.268 -5.532 1.00 0.00 C ATOM 1357 O ARG A 88 1.747 6.279 -4.851 1.00 0.00 O ATOM 1358 CB ARG A 88 4.342 4.496 -5.405 1.00 0.00 C ATOM 1359 CG ARG A 88 5.695 4.195 -6.104 1.00 0.00 C ATOM 1360 CD ARG A 88 6.875 4.242 -5.115 1.00 0.00 C ATOM 1361 NE ARG A 88 6.606 3.258 -4.036 1.00 0.00 N ATOM 1362 CZ ARG A 88 7.038 3.344 -2.785 1.00 0.00 C ATOM 1363 NH1 ARG A 88 7.772 4.315 -2.328 1.00 0.00 N ATOM 1364 NH2 ARG A 88 6.704 2.402 -1.976 1.00 0.00 N ATOM 0 H ARG A 88 3.566 7.143 -6.368 1.00 0.00 H new ATOM 0 HA ARG A 88 2.968 4.379 -7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.522 5.203 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.976 3.576 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.651 3.211 -6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.861 4.919 -6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.809 4.004 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.985 5.244 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 88 6.040 2.445 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.052 5.077 -2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.068 4.315 -1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.128 1.627 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.015 2.429 -1.005 1.00 0.00 H new ATOM 1378 N VAL A 89 1.070 4.281 -5.602 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.128 4.240 -4.761 1.00 0.00 C ATOM 1380 C VAL A 89 -0.099 3.009 -3.881 1.00 0.00 C ATOM 1381 O VAL A 89 -0.058 1.870 -4.363 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.457 4.270 -5.618 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.338 3.838 -7.107 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.595 3.400 -5.025 1.00 0.00 C ATOM 0 H VAL A 89 1.162 3.488 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.125 5.134 -4.137 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.684 5.335 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.316 3.902 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.639 4.497 -7.622 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.975 2.812 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.476 3.468 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.267 2.362 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.843 3.758 -4.026 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.096 3.214 -2.578 1.00 0.00 N ATOM 1395 CA LYS A 90 0.074 2.120 -1.624 1.00 0.00 C ATOM 1396 C LYS A 90 -1.256 1.500 -1.264 1.00 0.00 C ATOM 1397 O LYS A 90 -2.306 2.151 -1.279 1.00 0.00 O ATOM 1398 CB LYS A 90 0.799 2.647 -0.356 1.00 0.00 C ATOM 1399 CG LYS A 90 2.239 2.098 -0.197 1.00 0.00 C ATOM 1400 CD LYS A 90 3.160 2.954 0.676 1.00 0.00 C ATOM 1401 CE LYS A 90 2.899 2.633 2.153 1.00 0.00 C ATOM 1402 NZ LYS A 90 1.479 2.877 2.465 1.00 0.00 N ATOM 0 H LYS A 90 -0.210 4.132 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 90 0.682 1.342 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.835 3.736 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.216 2.378 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.186 1.096 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.687 2.000 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.203 2.756 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.982 4.012 0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.155 1.594 2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.533 3.251 2.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.380 3.110 3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.129 3.670 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.925 2.023 2.251 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.224 0.228 -0.911 1.00 0.00 N ATOM 1417 CA LEU A 91 -2.431 -0.505 -0.540 1.00 0.00 C ATOM 1418 C LEU A 91 -2.422 -0.867 0.927 1.00 0.00 C ATOM 1419 O LEU A 91 -1.415 -0.725 1.630 1.00 0.00 O ATOM 1420 CB LEU A 91 -2.587 -1.778 -1.421 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.458 -1.683 -2.705 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -4.004 -3.051 -3.151 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.622 -0.708 -2.481 1.00 0.00 C ATOM 0 H LEU A 91 -0.369 -0.327 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.288 0.145 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.589 -2.100 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.003 -2.567 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.812 -1.315 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.605 -2.927 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.172 -3.724 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.622 -3.472 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.226 -0.649 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.239 -1.062 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.228 0.280 -2.242 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.558 -1.328 1.415 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.664 -1.850 2.775 1.00 0.00 C ATOM 1437 C ALA A 92 -3.075 -3.237 2.873 1.00 0.00 C ATOM 1438 O ALA A 92 -2.538 -3.643 3.913 1.00 0.00 O ATOM 1439 CB ALA A 92 -5.149 -1.804 3.177 1.00 0.00 C ATOM 0 H ALA A 92 -4.431 -1.354 0.888 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.087 -1.240 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -5.264 -2.188 4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.505 -0.775 3.137 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.731 -2.417 2.489 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.181 -4.003 1.803 1.00 0.00 N ATOM 1446 CA ASN A 93 -2.743 -5.398 1.808 1.00 0.00 C ATOM 1447 C ASN A 93 -1.236 -5.493 1.839 1.00 0.00 C ATOM 1448 O ASN A 93 -0.653 -6.404 2.438 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.316 -6.128 0.558 1.00 0.00 C ATOM 1450 CG ASN A 93 -2.380 -6.282 -0.645 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -2.078 -5.339 -1.362 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -1.887 -7.461 -0.912 1.00 0.00 N ATOM 0 H ASN A 93 -3.567 -3.687 0.913 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.121 -5.882 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.640 -7.122 0.865 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.205 -5.590 0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.261 -7.584 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.128 -8.259 -0.325 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.576 -4.548 1.195 1.00 0.00 N ATOM 1460 CA GLY A 94 0.882 -4.466 1.228 1.00 0.00 C ATOM 1461 C GLY A 94 1.428 -3.914 -0.067 1.00 0.00 C ATOM 1462 O GLY A 94 2.204 -2.952 -0.091 1.00 0.00 O ATOM 0 H GLY A 94 -1.025 -3.820 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.194 -3.831 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.300 -5.456 1.409 1.00 0.00 H new ATOM 1466 N ALA A 95 1.048 -4.533 -1.171 1.00 0.00 N ATOM 1467 CA ALA A 95 1.606 -4.195 -2.477 1.00 0.00 C ATOM 1468 C ALA A 95 1.406 -2.731 -2.789 1.00 0.00 C ATOM 1469 O ALA A 95 0.677 -2.008 -2.102 1.00 0.00 O ATOM 1470 CB ALA A 95 0.953 -5.120 -3.519 1.00 0.00 C ATOM 0 H ALA A 95 0.351 -5.278 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 95 2.685 -4.352 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.350 -4.892 -4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.172 -6.159 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.126 -4.966 -3.517 1.00 0.00 H new ATOM 1476 N LEU A 96 2.074 -2.262 -3.828 1.00 0.00 N ATOM 1477 CA LEU A 96 1.868 -0.905 -4.328 1.00 0.00 C ATOM 1478 C LEU A 96 1.724 -0.892 -5.832 1.00 0.00 C ATOM 1479 O LEU A 96 1.756 -1.943 -6.491 1.00 0.00 O ATOM 1480 CB LEU A 96 3.031 0.023 -3.875 1.00 0.00 C ATOM 1481 CG LEU A 96 4.420 -0.623 -3.618 1.00 0.00 C ATOM 1482 CD1 LEU A 96 4.512 -1.307 -2.245 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.743 -1.637 -4.724 1.00 0.00 C ATOM 0 H LEU A 96 2.768 -2.800 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 96 0.938 -0.526 -3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.157 0.795 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.721 0.524 -2.958 1.00 0.00 H new ATOM 0 HG LEU A 96 5.151 0.185 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.504 -1.741 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.336 -0.572 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.761 -2.094 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.719 -2.084 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.982 -2.418 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.757 -1.130 -5.689 1.00 0.00 H new ATOM 1495 N PHE A 97 1.536 0.278 -6.415 1.00 0.00 N ATOM 1496 CA PHE A 97 1.543 0.424 -7.872 1.00 0.00 C ATOM 1497 C PHE A 97 2.452 1.557 -8.286 1.00 0.00 C ATOM 1498 O PHE A 97 2.045 2.721 -8.357 1.00 0.00 O ATOM 1499 CB PHE A 97 0.109 0.707 -8.425 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.031 -0.093 -7.778 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.333 -1.385 -8.219 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -1.734 0.449 -6.696 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.342 -2.116 -7.596 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -2.728 -0.290 -6.064 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.002 -1.589 -6.487 1.00 0.00 C ATOM 0 H PHE A 97 1.376 1.147 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 97 1.906 -0.516 -8.287 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.103 1.769 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.107 0.503 -9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.784 -1.816 -9.043 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.503 1.446 -6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.613 -3.091 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.287 0.142 -5.247 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.726 -2.188 -5.955 1.00 0.00 H new ATOM 1515 N LEU A 98 3.706 1.225 -8.541 1.00 0.00 N ATOM 1516 CA LEU A 98 4.717 2.209 -8.922 1.00 0.00 C ATOM 1517 C LEU A 98 4.604 2.549 -10.391 1.00 0.00 C ATOM 1518 O LEU A 98 4.181 1.684 -11.195 1.00 0.00 O ATOM 1519 CB LEU A 98 6.145 1.696 -8.580 1.00 0.00 C ATOM 1520 CG LEU A 98 6.449 1.318 -7.105 1.00 0.00 C ATOM 1521 CD1 LEU A 98 6.380 -0.205 -6.922 1.00 0.00 C ATOM 1522 CD2 LEU A 98 7.814 1.836 -6.624 1.00 0.00 C ATOM 0 H LEU A 98 4.056 0.268 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 98 4.540 3.119 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.342 0.819 -9.197 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.857 2.464 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 98 5.687 1.803 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.595 -0.457 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.382 -0.558 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.114 -0.683 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.970 1.541 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.603 1.412 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.838 2.923 -6.699 1.00 0.00 H new ATOM 1534 N LEU A 99 4.929 3.761 -10.808 1.00 0.00 N ATOM 1535 CA LEU A 99 4.779 4.152 -12.214 1.00 0.00 C ATOM 1536 C LEU A 99 6.011 4.843 -12.753 1.00 0.00 C ATOM 1537 O LEU A 99 6.331 5.977 -12.363 1.00 0.00 O ATOM 1538 CB LEU A 99 3.531 5.066 -12.409 1.00 0.00 C ATOM 1539 CG LEU A 99 2.409 5.061 -11.331 1.00 0.00 C ATOM 1540 CD1 LEU A 99 1.153 5.825 -11.803 1.00 0.00 C ATOM 1541 CD2 LEU A 99 2.021 3.624 -10.966 1.00 0.00 C ATOM 0 H LEU A 99 5.298 4.494 -10.202 1.00 0.00 H new ATOM 0 HA LEU A 99 4.641 3.231 -12.780 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.888 6.091 -12.506 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.073 4.796 -13.360 1.00 0.00 H new ATOM 0 HG LEU A 99 2.808 5.569 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.395 5.797 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.416 6.861 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.760 5.357 -12.706 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.235 3.640 -10.211 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.659 3.108 -11.855 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.892 3.101 -10.572 1.00 0.00 H new ATOM 1553 N GLN A 100 6.705 4.206 -13.676 1.00 0.00 N ATOM 1554 CA GLN A 100 7.816 4.843 -14.378 1.00 0.00 C ATOM 1555 C GLN A 100 7.493 5.023 -15.843 1.00 0.00 C ATOM 1556 O GLN A 100 7.970 4.284 -16.711 1.00 0.00 O ATOM 1557 CB GLN A 100 9.099 3.995 -14.198 1.00 0.00 C ATOM 1558 CG GLN A 100 10.401 4.713 -14.735 1.00 0.00 C ATOM 1559 CD GLN A 100 11.768 4.421 -14.119 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.266 5.190 -13.185 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 12.438 3.466 -14.506 1.00 0.00 N flip ATOM 0 H GLN A 100 6.523 3.244 -13.962 1.00 0.00 H new ATOM 0 HA GLN A 100 7.983 5.832 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.229 3.765 -13.141 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.975 3.045 -14.718 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.475 4.488 -15.799 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.233 5.786 -14.648 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.075 2.850 -15.233 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.357 3.290 -14.100 1.00 0.00 H new ATOM 1570 N ALA A 101 6.707 6.044 -16.137 1.00 0.00 N ATOM 1571 CA ALA A 101 6.165 6.256 -17.477 1.00 0.00 C ATOM 1572 C ALA A 101 7.172 6.883 -18.419 1.00 0.00 C ATOM 1573 O ALA A 101 8.363 7.041 -18.136 1.00 0.00 O ATOM 1574 CB ALA A 101 4.891 7.109 -17.327 1.00 0.00 C ATOM 0 H ALA A 101 6.424 6.751 -15.458 1.00 0.00 H new ATOM 0 HA ALA A 101 5.922 5.297 -17.935 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.456 7.289 -18.310 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.171 6.580 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.144 8.062 -16.862 1.00 0.00 H new ATOM 1580 N HIS A 102 6.681 7.235 -19.597 1.00 0.00 N ATOM 1581 CA HIS A 102 7.507 7.714 -20.701 1.00 0.00 C ATOM 1582 C HIS A 102 7.915 9.154 -20.510 1.00 0.00 C ATOM 1583 O HIS A 102 9.093 9.467 -20.256 1.00 0.00 O ATOM 1584 CB HIS A 102 6.643 7.572 -21.968 1.00 0.00 C ATOM 1585 CG HIS A 102 7.355 8.009 -23.215 1.00 0.00 C ATOM 1586 ND1 HIS A 102 8.641 7.634 -23.597 1.00 0.00 N ATOM 1587 CD2 HIS A 102 6.777 8.861 -24.147 1.00 0.00 C ATOM 1588 CE1 HIS A 102 8.738 8.300 -24.763 1.00 0.00 C ATOM 1589 NE2 HIS A 102 7.678 9.054 -25.162 1.00 0.00 N ATOM 0 H HIS A 102 5.686 7.197 -19.819 1.00 0.00 H new ATOM 0 HA HIS A 102 8.430 7.138 -20.766 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.336 6.532 -22.077 1.00 0.00 H new ATOM 0 HB3 HIS A 102 5.734 8.162 -21.849 1.00 0.00 H new ATOM 0 HD2 HIS A 102 5.790 9.296 -24.083 1.00 0.00 H new ATOM 0 HE1 HIS A 102 9.632 8.238 -25.365 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.579 9.620 -26.004 1.00 0.00 H new ATOM 1597 N ASP A 103 6.969 10.069 -20.600 1.00 0.00 N ATOM 1598 CA ASP A 103 7.281 11.497 -20.591 1.00 0.00 C ATOM 1599 C ASP A 103 7.276 12.048 -19.186 1.00 0.00 C ATOM 1600 O ASP A 103 6.860 11.374 -18.229 1.00 0.00 O ATOM 1601 CB ASP A 103 6.290 12.260 -21.509 1.00 0.00 C ATOM 1602 CG ASP A 103 6.904 13.216 -22.543 1.00 0.00 C ATOM 1603 OD1 ASP A 103 8.113 12.782 -23.011 1.00 0.00 O ATOM 1604 OD2 ASP A 103 6.351 14.240 -22.916 1.00 0.00 O ATOM 0 H ASP A 103 5.975 9.855 -20.681 1.00 0.00 H new ATOM 0 HA ASP A 103 8.288 11.638 -20.983 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.685 11.526 -22.041 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.612 12.833 -20.876 1.00 0.00 H new ATOM 1609 N ASP A 104 7.757 13.263 -19.015 1.00 0.00 N ATOM 1610 CA ASP A 104 7.635 13.957 -17.736 1.00 0.00 C ATOM 1611 C ASP A 104 6.311 14.677 -17.642 1.00 0.00 C ATOM 1612 O ASP A 104 5.971 15.250 -16.588 1.00 0.00 O ATOM 1613 CB ASP A 104 8.848 14.908 -17.538 1.00 0.00 C ATOM 1614 CG ASP A 104 9.337 15.138 -16.102 1.00 0.00 C ATOM 1615 OD1 ASP A 104 8.658 14.893 -15.116 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.617 15.620 -16.050 1.00 0.00 O ATOM 0 H ASP A 104 8.237 13.795 -19.741 1.00 0.00 H new ATOM 0 HA ASP A 104 7.650 13.231 -16.923 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.682 14.515 -18.119 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.590 15.877 -17.965 1.00 0.00 H new ATOM 1621 N THR A 105 5.520 14.660 -18.699 1.00 0.00 N ATOM 1622 CA THR A 105 4.189 15.258 -18.670 1.00 0.00 C ATOM 1623 C THR A 105 3.160 14.244 -18.221 1.00 0.00 C ATOM 1624 O THR A 105 2.182 14.532 -17.522 1.00 0.00 O ATOM 1625 CB THR A 105 3.814 15.846 -20.072 1.00 0.00 C ATOM 1626 OG1 THR A 105 4.988 16.203 -20.790 1.00 0.00 O ATOM 1627 CG2 THR A 105 2.957 17.130 -20.069 1.00 0.00 C ATOM 0 H THR A 105 5.773 14.238 -19.593 1.00 0.00 H new ATOM 0 HA THR A 105 4.198 16.077 -17.951 1.00 0.00 H new ATOM 0 HB THR A 105 3.233 15.040 -20.519 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.252 15.462 -21.374 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.763 17.440 -21.096 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.011 16.935 -19.564 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.491 17.923 -19.545 1.00 0.00 H new ATOM 1635 N GLU A 106 3.403 13.006 -18.607 1.00 0.00 N ATOM 1636 CA GLU A 106 2.571 11.871 -18.223 1.00 0.00 C ATOM 1637 C GLU A 106 3.112 11.249 -16.953 1.00 0.00 C ATOM 1638 O GLU A 106 2.366 10.499 -16.277 1.00 0.00 O ATOM 1639 CB GLU A 106 2.546 10.886 -19.435 1.00 0.00 C ATOM 1640 CG GLU A 106 2.690 9.365 -19.090 1.00 0.00 C ATOM 1641 CD GLU A 106 1.438 8.491 -19.174 1.00 0.00 C ATOM 1642 OE1 GLU A 106 0.373 8.990 -18.487 1.00 0.00 O ATOM 1643 OE2 GLU A 106 1.398 7.443 -19.806 1.00 0.00 O ATOM 0 H GLU A 106 4.191 12.752 -19.203 1.00 0.00 H new ATOM 0 HA GLU A 106 1.546 12.167 -17.998 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.609 11.028 -19.974 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.351 11.161 -20.117 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.440 8.940 -19.757 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.085 9.288 -18.077 1.00 0.00 H new ATOM 1650 N MET A 107 4.358 11.513 -16.593 1.00 0.00 N ATOM 1651 CA MET A 107 4.865 11.003 -15.308 1.00 0.00 C ATOM 1652 C MET A 107 4.015 11.547 -14.180 1.00 0.00 C ATOM 1653 O MET A 107 3.381 10.840 -13.390 1.00 0.00 O ATOM 1654 CB MET A 107 6.355 11.373 -15.084 1.00 0.00 C ATOM 1655 CG MET A 107 7.283 10.243 -14.590 1.00 0.00 C ATOM 1656 SD MET A 107 7.883 9.288 -15.994 1.00 0.00 S ATOM 1657 CE MET A 107 9.618 9.750 -15.911 1.00 0.00 C ATOM 0 H MET A 107 5.024 12.056 -17.142 1.00 0.00 H new ATOM 0 HA MET A 107 4.802 9.915 -15.328 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.755 11.756 -16.023 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.398 12.189 -14.362 1.00 0.00 H new ATOM 0 HG2 MET A 107 8.124 10.665 -14.040 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.744 9.593 -13.900 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.083 9.595 -16.885 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.702 10.800 -15.632 1.00 0.00 H new ATOM 0 HE3 MET A 107 10.123 9.135 -15.166 1.00 0.00 H new ATOM 1667 N SER A 108 3.976 12.875 -14.118 1.00 0.00 N ATOM 1668 CA SER A 108 3.165 13.596 -13.144 1.00 0.00 C ATOM 1669 C SER A 108 1.697 13.284 -13.326 1.00 0.00 C ATOM 1670 O SER A 108 1.013 12.861 -12.383 1.00 0.00 O ATOM 1671 CB SER A 108 3.433 15.120 -13.215 1.00 0.00 C ATOM 1672 OG SER A 108 4.786 15.464 -12.898 1.00 0.00 O ATOM 0 H SER A 108 4.507 13.482 -14.743 1.00 0.00 H new ATOM 0 HA SER A 108 3.454 13.258 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 108 3.198 15.479 -14.217 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.762 15.634 -12.527 1.00 0.00 H new ATOM 0 HG SER A 108 4.900 16.435 -12.960 1.00 0.00 H new ATOM 1678 N GLN A 109 1.176 13.502 -14.521 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.249 13.303 -14.785 1.00 0.00 C ATOM 1680 C GLN A 109 -0.696 11.943 -14.302 1.00 0.00 C ATOM 1681 O GLN A 109 -1.833 11.819 -13.783 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.503 13.479 -16.298 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.915 14.915 -16.766 1.00 0.00 C ATOM 1684 CD GLN A 109 -0.692 15.322 -18.227 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -0.894 14.536 -19.140 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -0.283 16.532 -18.514 1.00 0.00 N ATOM 0 H GLN A 109 1.714 13.817 -15.328 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.834 14.043 -14.239 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.402 13.190 -16.833 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.286 12.783 -16.597 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.976 15.038 -16.550 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.378 15.629 -16.142 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.109 17.203 -17.765 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.138 16.804 -19.486 1.00 0.00 H new ATOM 1695 N TRP A 110 0.098 10.901 -14.453 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.219 9.611 -13.837 1.00 0.00 C ATOM 1697 C TRP A 110 -0.429 9.790 -12.351 1.00 0.00 C ATOM 1698 O TRP A 110 -1.488 9.461 -11.812 1.00 0.00 O ATOM 1699 CB TRP A 110 0.931 8.593 -14.075 1.00 0.00 C ATOM 1700 CG TRP A 110 0.685 7.591 -15.210 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.407 7.457 -16.411 1.00 0.00 C ATOM 1702 CD2 TRP A 110 -0.238 6.557 -15.208 1.00 0.00 C ATOM 1703 NE1 TRP A 110 0.964 6.350 -17.163 1.00 0.00 N ATOM 1704 CE2 TRP A 110 -0.055 5.809 -16.396 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.232 6.186 -14.261 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.853 4.669 -16.641 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.963 5.023 -14.498 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.804 4.295 -15.685 1.00 0.00 C ATOM 0 H TRP A 110 0.964 10.913 -14.992 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.131 9.227 -14.294 1.00 0.00 H new ATOM 0 HB2 TRP A 110 1.846 9.145 -14.290 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.102 8.039 -13.152 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.202 8.120 -16.718 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.313 6.023 -18.064 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.415 6.788 -13.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.731 4.097 -17.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.665 4.677 -13.753 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.426 3.431 -15.865 1.00 0.00 H new ATOM 1719 N VAL A 111 0.568 10.324 -11.669 1.00 0.00 N ATOM 1720 CA VAL A 111 0.516 10.451 -10.211 1.00 0.00 C ATOM 1721 C VAL A 111 -0.708 11.220 -9.772 1.00 0.00 C ATOM 1722 O VAL A 111 -1.471 10.801 -8.895 1.00 0.00 O ATOM 1723 CB VAL A 111 1.831 11.147 -9.681 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.748 12.674 -9.412 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.374 10.537 -8.365 1.00 0.00 C ATOM 0 H VAL A 111 1.425 10.678 -12.094 1.00 0.00 H new ATOM 0 HA VAL A 111 0.449 9.451 -9.783 1.00 0.00 H new ATOM 0 HB VAL A 111 2.491 10.963 -10.529 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.712 13.033 -9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.489 13.193 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.984 12.870 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.278 11.067 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.621 10.631 -7.583 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.606 9.483 -8.521 1.00 0.00 H new ATOM 1735 N THR A 112 -0.894 12.390 -10.363 1.00 0.00 N ATOM 1736 CA THR A 112 -2.103 13.184 -10.166 1.00 0.00 C ATOM 1737 C THR A 112 -3.333 12.387 -10.530 1.00 0.00 C ATOM 1738 O THR A 112 -4.395 12.512 -9.896 1.00 0.00 O ATOM 1739 CB THR A 112 -2.031 14.516 -10.990 1.00 0.00 C ATOM 1740 OG1 THR A 112 -1.075 14.421 -12.038 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.609 15.779 -10.207 1.00 0.00 C ATOM 0 H THR A 112 -0.214 12.818 -10.992 1.00 0.00 H new ATOM 0 HA THR A 112 -2.173 13.444 -9.110 1.00 0.00 H new ATOM 0 HB THR A 112 -3.061 14.629 -11.328 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.935 15.306 -12.434 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.595 16.636 -10.880 1.00 0.00 H new ATOM 0 HG22 THR A 112 -2.320 15.962 -9.401 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.614 15.631 -9.787 1.00 0.00 H new ATOM 1749 N SER A 113 -3.229 11.534 -11.533 1.00 0.00 N ATOM 1750 CA SER A 113 -4.331 10.656 -11.916 1.00 0.00 C ATOM 1751 C SER A 113 -4.610 9.625 -10.841 1.00 0.00 C ATOM 1752 O SER A 113 -5.760 9.242 -10.581 1.00 0.00 O ATOM 1753 CB SER A 113 -4.058 10.005 -13.297 1.00 0.00 C ATOM 1754 OG SER A 113 -4.596 10.773 -14.380 1.00 0.00 O ATOM 0 H SER A 113 -2.390 11.427 -12.103 1.00 0.00 H new ATOM 0 HA SER A 113 -5.234 11.259 -12.014 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.983 9.891 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.490 9.004 -13.315 1.00 0.00 H new ATOM 0 HG SER A 113 -4.483 10.279 -15.219 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.565 9.174 -10.172 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.666 8.199 -9.088 1.00 0.00 C ATOM 1762 C LEU A 114 -4.349 8.810 -7.887 1.00 0.00 C ATOM 1763 O LEU A 114 -5.141 8.188 -7.173 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.259 7.656 -8.704 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.418 6.918 -9.783 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -0.029 6.506 -9.258 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.169 5.669 -10.268 1.00 0.00 C ATOM 0 H LEU A 114 -2.609 9.474 -10.364 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.270 7.361 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.668 8.498 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.387 6.974 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.270 7.614 -10.609 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.521 5.994 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.522 7.395 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.146 5.838 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.574 5.157 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.341 4.998 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.126 5.964 -10.698 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.018 10.069 -7.635 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.675 10.870 -6.609 1.00 0.00 C ATOM 1781 C LYS A 115 -6.178 10.785 -6.733 1.00 0.00 C ATOM 1782 O LYS A 115 -6.889 10.337 -5.827 1.00 0.00 O ATOM 1783 CB LYS A 115 -4.195 12.344 -6.723 1.00 0.00 C ATOM 1784 CG LYS A 115 -4.090 13.101 -5.377 1.00 0.00 C ATOM 1785 CD LYS A 115 -3.228 14.368 -5.426 1.00 0.00 C ATOM 1786 CE LYS A 115 -3.655 15.318 -4.300 1.00 0.00 C ATOM 1787 NZ LYS A 115 -2.547 15.467 -3.339 1.00 0.00 N ATOM 0 H LYS A 115 -3.283 10.566 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.406 10.479 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.219 12.356 -7.207 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.881 12.885 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.093 13.372 -5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.679 12.426 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.175 14.109 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.338 14.859 -6.393 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.927 16.290 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.539 14.928 -3.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.835 16.111 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.308 14.538 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.715 15.858 -3.826 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.685 11.243 -7.866 1.00 0.00 N ATOM 1802 CA ALA A 116 -8.121 11.226 -8.130 1.00 0.00 C ATOM 1803 C ALA A 116 -8.708 9.855 -7.890 1.00 0.00 C ATOM 1804 O ALA A 116 -9.886 9.712 -7.527 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.334 11.718 -9.573 1.00 0.00 C ATOM 0 H ALA A 116 -6.123 11.633 -8.623 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.646 11.889 -7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.399 11.718 -9.804 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.941 12.730 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.813 11.055 -10.264 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.921 8.817 -8.104 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.425 7.445 -8.045 1.00 0.00 C ATOM 1813 C GLN A 117 -8.194 6.820 -6.688 1.00 0.00 C ATOM 1814 O GLN A 117 -9.146 6.572 -5.925 1.00 0.00 O ATOM 1815 CB GLN A 117 -7.737 6.633 -9.164 1.00 0.00 C ATOM 1816 CG GLN A 117 -8.412 6.728 -10.572 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.514 5.734 -10.952 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -10.037 5.020 -10.110 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -9.932 5.658 -12.190 1.00 0.00 N ATOM 0 H GLN A 117 -6.927 8.891 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.504 7.447 -8.197 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -6.704 6.969 -9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.707 5.586 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.830 7.730 -10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.623 6.641 -11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.509 6.246 -12.908 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.681 5.011 -12.437 1.00 0.00 H new ATOM 1828 N SER A 118 -6.954 6.521 -6.350 1.00 0.00 N ATOM 1829 CA SER A 118 -6.610 6.057 -5.010 1.00 0.00 C ATOM 1830 C SER A 118 -7.086 7.053 -3.974 1.00 0.00 C ATOM 1831 O SER A 118 -6.294 7.979 -3.627 1.00 0.00 O ATOM 1832 CB SER A 118 -5.088 5.818 -4.851 1.00 0.00 C ATOM 1833 OG SER A 118 -4.792 4.692 -4.019 1.00 0.00 O ATOM 0 H SER A 118 -6.160 6.590 -6.986 1.00 0.00 H new ATOM 0 HA SER A 118 -7.113 5.102 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.643 5.665 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.626 6.710 -4.427 1.00 0.00 H new ATOM 0 HG SER A 118 -5.606 4.405 -3.555 1.00 0.00 H new ATOM 1839 N ASP A 119 -8.293 6.991 -3.451 1.00 0.00 N ATOM 1840 CA ASP A 119 -8.808 8.046 -2.570 1.00 0.00 C ATOM 1841 C ASP A 119 -8.630 7.689 -1.113 1.00 0.00 C ATOM 1842 O ASP A 119 -9.074 6.645 -0.622 1.00 0.00 O ATOM 1843 CB ASP A 119 -10.288 8.366 -2.907 1.00 0.00 C ATOM 1844 CG ASP A 119 -11.260 7.179 -2.984 1.00 0.00 C ATOM 1845 OD1 ASP A 119 -11.477 6.569 -4.020 1.00 0.00 O ATOM 1846 OD2 ASP A 119 -11.862 6.910 -1.786 1.00 0.00 O ATOM 0 H ASP A 119 -8.945 6.224 -3.615 1.00 0.00 H new ATOM 0 HA ASP A 119 -8.223 8.948 -2.747 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -10.663 9.062 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -10.312 8.886 -3.865 1.00 0.00 H new ATOM 1851 N SER A 120 -7.983 8.581 -0.380 1.00 0.00 N ATOM 1852 CA SER A 120 -7.847 8.463 1.069 1.00 0.00 C ATOM 1853 C SER A 120 -7.676 9.822 1.706 1.00 0.00 C ATOM 1854 O SER A 120 -7.433 10.831 1.032 1.00 0.00 O ATOM 1855 CB SER A 120 -6.684 7.509 1.440 1.00 0.00 C ATOM 1856 OG SER A 120 -7.032 6.582 2.474 1.00 0.00 O ATOM 0 H SER A 120 -7.535 9.410 -0.771 1.00 0.00 H new ATOM 0 HA SER A 120 -8.765 8.028 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.377 6.957 0.552 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.826 8.099 1.762 1.00 0.00 H new ATOM 0 HG SER A 120 -6.264 6.004 2.667 1.00 0.00 H new ATOM 1862 N THR A 121 -7.809 9.877 3.018 1.00 0.00 N ATOM 1863 CA THR A 121 -7.587 11.109 3.769 1.00 0.00 C ATOM 1864 C THR A 121 -6.913 10.817 5.090 1.00 0.00 C ATOM 1865 O THR A 121 -6.340 9.741 5.304 1.00 0.00 O ATOM 1866 CB THR A 121 -8.940 11.870 3.985 1.00 0.00 C ATOM 1867 OG1 THR A 121 -9.692 11.262 5.028 1.00 0.00 O ATOM 1868 CG2 THR A 121 -9.906 11.905 2.781 1.00 0.00 C ATOM 0 H THR A 121 -8.072 9.078 3.594 1.00 0.00 H new ATOM 0 HA THR A 121 -6.924 11.751 3.190 1.00 0.00 H new ATOM 0 HB THR A 121 -8.608 12.887 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 121 -10.533 11.750 5.152 1.00 0.00 H new ATOM 0 HG21 THR A 121 -10.805 12.458 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 121 -9.419 12.395 1.938 1.00 0.00 H new ATOM 0 HG23 THR A 121 -10.177 10.887 2.502 1.00 0.00 H new ATOM 1876 N ALA A 122 -6.983 11.763 6.007 1.00 0.00 N ATOM 1877 CA ALA A 122 -6.390 11.602 7.332 1.00 0.00 C ATOM 1878 C ALA A 122 -4.936 11.208 7.229 1.00 0.00 C ATOM 1879 O ALA A 122 -4.259 11.402 6.173 1.00 0.00 O ATOM 1880 CB ALA A 122 -7.236 10.570 8.098 1.00 0.00 C ATOM 1881 OXT ALA A 122 -4.429 10.675 8.265 1.00 0.00 O ATOM 0 H ALA A 122 -7.447 12.660 5.862 1.00 0.00 H new ATOM 0 HA ALA A 122 -6.398 12.544 7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -6.819 10.426 9.095 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.261 10.930 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -7.228 9.622 7.561 1.00 0.00 H new TER 1887 ALA A 122