USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 6:sc= 0.0919 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -113:sc= -0.748 (180deg=-4.19!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 51:sc= -0.0891 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=0.92) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.0055) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 51:sc= 0.303 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.927 3.116 -22.602 1.00 0.00 N ATOM 2 CA GLY A 1 -18.843 2.869 -21.666 1.00 0.00 C ATOM 3 C GLY A 1 -17.615 2.307 -22.386 1.00 0.00 C ATOM 4 O GLY A 1 -17.404 1.096 -22.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.748 3.497 -22.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.617 3.803 -23.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.193 2.225 -23.068 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.578 3.796 -21.157 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.172 2.168 -20.899 1.00 0.00 H new ATOM 8 N SER A 2 -16.836 3.215 -22.956 1.00 0.00 N ATOM 9 CA SER A 2 -15.635 2.826 -23.675 1.00 0.00 C ATOM 10 C SER A 2 -14.519 3.839 -23.415 1.00 0.00 C ATOM 11 O SER A 2 -14.771 4.929 -22.903 1.00 0.00 O ATOM 12 CB SER A 2 -15.905 2.706 -25.176 1.00 0.00 C ATOM 13 OG SER A 2 -16.216 1.369 -25.558 1.00 0.00 O ATOM 0 H SER A 2 -17.014 4.219 -22.934 1.00 0.00 H new ATOM 0 HA SER A 2 -15.321 1.848 -23.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.731 3.362 -25.449 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.030 3.047 -25.730 1.00 0.00 H new ATOM 0 HG SER A 2 -16.383 1.335 -26.523 1.00 0.00 H new ATOM 19 N SER A 3 -13.308 3.444 -23.781 1.00 0.00 N ATOM 20 CA SER A 3 -12.152 4.305 -23.594 1.00 0.00 C ATOM 21 C SER A 3 -11.124 4.048 -24.698 1.00 0.00 C ATOM 22 O SER A 3 -10.765 4.959 -25.442 1.00 0.00 O ATOM 23 CB SER A 3 -11.519 4.086 -22.219 1.00 0.00 C ATOM 24 OG SER A 3 -10.457 5.002 -21.968 1.00 0.00 O ATOM 0 H SER A 3 -13.102 2.540 -24.206 1.00 0.00 H new ATOM 0 HA SER A 3 -12.485 5.341 -23.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.281 4.195 -21.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.141 3.066 -22.152 1.00 0.00 H new ATOM 0 HG SER A 3 -10.080 4.831 -21.080 1.00 0.00 H new ATOM 30 N GLY A 4 -10.680 2.801 -24.770 1.00 0.00 N ATOM 31 CA GLY A 4 -9.701 2.413 -25.771 1.00 0.00 C ATOM 32 C GLY A 4 -9.598 0.890 -25.874 1.00 0.00 C ATOM 33 O GLY A 4 -9.794 0.182 -24.888 1.00 0.00 O ATOM 0 H GLY A 4 -10.980 2.047 -24.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.981 2.829 -26.739 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.727 2.831 -25.514 1.00 0.00 H new ATOM 37 N SER A 5 -9.289 0.430 -27.078 1.00 0.00 N ATOM 38 CA SER A 5 -9.158 -0.996 -27.323 1.00 0.00 C ATOM 39 C SER A 5 -8.076 -1.249 -28.376 1.00 0.00 C ATOM 40 O SER A 5 -8.380 -1.400 -29.558 1.00 0.00 O ATOM 41 CB SER A 5 -10.488 -1.603 -27.773 1.00 0.00 C ATOM 42 OG SER A 5 -11.415 -1.715 -26.696 1.00 0.00 O ATOM 0 H SER A 5 -9.126 1.020 -27.894 1.00 0.00 H new ATOM 0 HA SER A 5 -8.868 -1.478 -26.389 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.920 -0.986 -28.561 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.310 -2.589 -28.202 1.00 0.00 H new ATOM 0 HG SER A 5 -11.041 -1.289 -25.897 1.00 0.00 H new ATOM 48 N SER A 6 -6.837 -1.286 -27.908 1.00 0.00 N ATOM 49 CA SER A 6 -5.710 -1.517 -28.795 1.00 0.00 C ATOM 50 C SER A 6 -4.528 -2.081 -28.002 1.00 0.00 C ATOM 51 O SER A 6 -4.048 -3.176 -28.291 1.00 0.00 O ATOM 52 CB SER A 6 -5.301 -0.230 -29.513 1.00 0.00 C ATOM 53 OG SER A 6 -4.580 -0.495 -30.714 1.00 0.00 O ATOM 0 H SER A 6 -6.589 -1.160 -26.927 1.00 0.00 H new ATOM 0 HA SER A 6 -6.012 -2.242 -29.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.191 0.354 -29.746 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.687 0.377 -28.848 1.00 0.00 H new ATOM 0 HG SER A 6 -4.338 0.352 -31.144 1.00 0.00 H new ATOM 59 N GLY A 7 -4.093 -1.307 -27.019 1.00 0.00 N ATOM 60 CA GLY A 7 -2.977 -1.715 -26.183 1.00 0.00 C ATOM 61 C GLY A 7 -1.739 -0.861 -26.466 1.00 0.00 C ATOM 62 O GLY A 7 -1.524 -0.429 -27.597 1.00 0.00 O ATOM 0 H GLY A 7 -4.493 -0.399 -26.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.253 -1.625 -25.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.748 -2.765 -26.363 1.00 0.00 H new ATOM 66 N THR A 8 -0.958 -0.644 -25.418 1.00 0.00 N ATOM 67 CA THR A 8 0.253 0.151 -25.539 1.00 0.00 C ATOM 68 C THR A 8 1.339 -0.387 -24.606 1.00 0.00 C ATOM 69 O THR A 8 2.405 -0.799 -25.061 1.00 0.00 O ATOM 70 CB THR A 8 -0.111 1.612 -25.270 1.00 0.00 C ATOM 71 OG1 THR A 8 -0.925 1.978 -26.381 1.00 0.00 O ATOM 72 CG2 THR A 8 1.097 2.545 -25.370 1.00 0.00 C ATOM 0 H THR A 8 -1.140 -1.005 -24.481 1.00 0.00 H new ATOM 0 HA THR A 8 0.670 0.086 -26.544 1.00 0.00 H new ATOM 0 HB THR A 8 -0.555 1.698 -24.278 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.207 2.912 -26.286 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.783 3.570 -25.170 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.849 2.247 -24.639 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.522 2.484 -26.372 1.00 0.00 H new ATOM 80 N SER A 9 1.031 -0.365 -23.317 1.00 0.00 N ATOM 81 CA SER A 9 1.968 -0.845 -22.316 1.00 0.00 C ATOM 82 C SER A 9 3.281 -0.066 -22.412 1.00 0.00 C ATOM 83 O SER A 9 4.252 -0.548 -22.994 1.00 0.00 O ATOM 84 CB SER A 9 2.227 -2.344 -22.478 1.00 0.00 C ATOM 85 OG SER A 9 2.518 -2.974 -21.233 1.00 0.00 O ATOM 0 H SER A 9 0.146 -0.022 -22.943 1.00 0.00 H new ATOM 0 HA SER A 9 1.529 -0.684 -21.331 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.353 -2.816 -22.928 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.060 -2.496 -23.164 1.00 0.00 H new ATOM 0 HG SER A 9 2.675 -3.930 -21.379 1.00 0.00 H new ATOM 91 N SER A 10 3.269 1.125 -21.831 1.00 0.00 N ATOM 92 CA SER A 10 4.447 1.976 -21.844 1.00 0.00 C ATOM 93 C SER A 10 4.256 3.148 -20.879 1.00 0.00 C ATOM 94 O SER A 10 3.133 3.454 -20.483 1.00 0.00 O ATOM 95 CB SER A 10 4.739 2.491 -23.254 1.00 0.00 C ATOM 96 OG SER A 10 6.108 2.853 -23.418 1.00 0.00 O ATOM 0 H SER A 10 2.462 1.521 -21.348 1.00 0.00 H new ATOM 0 HA SER A 10 5.302 1.382 -21.520 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.478 1.723 -23.982 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.108 3.355 -23.462 1.00 0.00 H new ATOM 0 HG SER A 10 6.254 3.175 -24.332 1.00 0.00 H new ATOM 102 N ASN A 11 5.372 3.771 -20.528 1.00 0.00 N ATOM 103 CA ASN A 11 5.342 4.903 -19.617 1.00 0.00 C ATOM 104 C ASN A 11 4.190 5.833 -20.004 1.00 0.00 C ATOM 105 O ASN A 11 4.047 6.198 -21.170 1.00 0.00 O ATOM 106 CB ASN A 11 6.642 5.705 -19.692 1.00 0.00 C ATOM 107 CG ASN A 11 7.636 5.238 -18.626 1.00 0.00 C ATOM 108 OD1 ASN A 11 7.473 5.478 -17.441 1.00 0.00 O ATOM 109 ND2 ASN A 11 8.671 4.559 -19.112 1.00 0.00 N ATOM 0 H ASN A 11 6.302 3.513 -20.858 1.00 0.00 H new ATOM 0 HA ASN A 11 5.214 4.518 -18.605 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.085 5.594 -20.682 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.428 6.765 -19.556 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.390 4.204 -18.481 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.746 4.393 -20.116 1.00 0.00 H new ATOM 116 N PRO A 12 3.377 6.199 -18.977 1.00 0.00 N ATOM 117 CA PRO A 12 2.243 7.080 -19.198 1.00 0.00 C ATOM 118 C PRO A 12 2.702 8.526 -19.397 1.00 0.00 C ATOM 119 O PRO A 12 2.164 9.242 -20.240 1.00 0.00 O ATOM 120 CB PRO A 12 1.361 6.900 -17.973 1.00 0.00 C ATOM 121 CG PRO A 12 2.251 6.285 -16.905 1.00 0.00 C ATOM 122 CD PRO A 12 3.517 5.787 -17.583 1.00 0.00 C ATOM 0 HA PRO A 12 1.693 6.838 -20.108 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.955 7.855 -17.640 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.512 6.253 -18.194 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.493 7.022 -16.139 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.737 5.464 -16.406 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.407 6.222 -17.129 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.613 4.705 -17.498 1.00 0.00 H new ATOM 130 N VAL A 13 3.692 8.913 -18.606 1.00 0.00 N ATOM 131 CA VAL A 13 4.229 10.261 -18.684 1.00 0.00 C ATOM 132 C VAL A 13 3.078 11.256 -18.846 1.00 0.00 C ATOM 133 O VAL A 13 3.172 12.197 -19.632 1.00 0.00 O ATOM 134 CB VAL A 13 5.258 10.349 -19.813 1.00 0.00 C ATOM 135 CG1 VAL A 13 4.595 10.142 -21.177 1.00 0.00 C ATOM 136 CG2 VAL A 13 6.012 11.680 -19.766 1.00 0.00 C ATOM 0 H VAL A 13 4.136 8.317 -17.908 1.00 0.00 H new ATOM 0 HA VAL A 13 4.753 10.517 -17.763 1.00 0.00 H new ATOM 0 HB VAL A 13 5.983 9.548 -19.668 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.348 10.209 -21.962 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.126 9.159 -21.208 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.838 10.910 -21.334 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.737 11.716 -20.579 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.305 12.503 -19.873 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.532 11.770 -18.812 1.00 0.00 H new ATOM 146 N LEU A 14 2.019 11.014 -18.088 1.00 0.00 N ATOM 147 CA LEU A 14 0.851 11.877 -18.137 1.00 0.00 C ATOM 148 C LEU A 14 0.017 11.672 -16.870 1.00 0.00 C ATOM 149 O LEU A 14 -0.358 10.547 -16.545 1.00 0.00 O ATOM 150 CB LEU A 14 0.069 11.646 -19.432 1.00 0.00 C ATOM 151 CG LEU A 14 -0.389 12.905 -20.171 1.00 0.00 C ATOM 152 CD1 LEU A 14 -1.214 13.811 -19.254 1.00 0.00 C ATOM 153 CD2 LEU A 14 0.802 13.643 -20.786 1.00 0.00 C ATOM 0 H LEU A 14 1.945 10.233 -17.436 1.00 0.00 H new ATOM 0 HA LEU A 14 1.151 12.925 -18.155 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.689 11.057 -20.108 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.810 11.044 -19.200 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.039 12.602 -20.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.527 14.698 -19.805 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.095 13.271 -18.906 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.609 14.110 -18.398 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.449 14.534 -21.305 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.496 13.934 -19.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.310 12.988 -21.494 1.00 0.00 H new ATOM 165 N GLU A 15 -0.248 12.778 -16.190 1.00 0.00 N ATOM 166 CA GLU A 15 -1.030 12.734 -14.966 1.00 0.00 C ATOM 167 C GLU A 15 -0.192 12.162 -13.821 1.00 0.00 C ATOM 168 O GLU A 15 0.799 11.473 -14.056 1.00 0.00 O ATOM 169 CB GLU A 15 -2.313 11.923 -15.164 1.00 0.00 C ATOM 170 CG GLU A 15 -3.470 12.524 -14.363 1.00 0.00 C ATOM 171 CD GLU A 15 -4.437 13.277 -15.278 1.00 0.00 C ATOM 172 OE1 GLU A 15 -4.196 14.485 -15.488 1.00 0.00 O ATOM 173 OE2 GLU A 15 -5.397 12.627 -15.747 1.00 0.00 O ATOM 0 H GLU A 15 0.065 13.710 -16.463 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.319 13.752 -14.706 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.573 11.899 -16.222 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.147 10.892 -14.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.003 11.732 -13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.079 13.202 -13.605 1.00 0.00 H new ATOM 180 N LEU A 16 -0.620 12.471 -12.605 1.00 0.00 N ATOM 181 CA LEU A 16 0.078 11.997 -11.423 1.00 0.00 C ATOM 182 C LEU A 16 -0.937 11.721 -10.312 1.00 0.00 C ATOM 183 O LEU A 16 -1.464 12.651 -9.703 1.00 0.00 O ATOM 184 CB LEU A 16 1.178 12.981 -11.020 1.00 0.00 C ATOM 185 CG LEU A 16 2.541 12.772 -11.684 1.00 0.00 C ATOM 186 CD1 LEU A 16 3.372 14.056 -11.644 1.00 0.00 C ATOM 187 CD2 LEU A 16 3.282 11.590 -11.055 1.00 0.00 C ATOM 0 H LEU A 16 -1.442 13.044 -12.414 1.00 0.00 H new ATOM 0 HA LEU A 16 0.585 11.055 -11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.836 13.991 -11.248 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.310 12.925 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 16 2.376 12.527 -12.733 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.336 13.881 -12.122 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.843 14.848 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.530 14.355 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.247 11.463 -11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.436 11.781 -9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.691 10.683 -11.178 1.00 0.00 H new ATOM 199 N GLU A 17 -1.182 10.439 -10.082 1.00 0.00 N ATOM 200 CA GLU A 17 -2.125 10.029 -9.056 1.00 0.00 C ATOM 201 C GLU A 17 -3.531 10.526 -9.398 1.00 0.00 C ATOM 202 O GLU A 17 -3.729 11.712 -9.657 1.00 0.00 O ATOM 203 CB GLU A 17 -1.687 10.530 -7.678 1.00 0.00 C ATOM 204 CG GLU A 17 -0.336 9.931 -7.280 1.00 0.00 C ATOM 205 CD GLU A 17 0.710 11.027 -7.073 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.972 11.755 -8.055 1.00 0.00 O ATOM 207 OE2 GLU A 17 1.225 11.113 -5.937 1.00 0.00 O ATOM 0 H GLU A 17 -0.743 9.671 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.144 8.940 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.618 11.618 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.439 10.265 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.447 9.352 -6.363 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.002 9.242 -8.054 1.00 0.00 H new ATOM 214 N LEU A 18 -4.472 9.593 -9.388 1.00 0.00 N ATOM 215 CA LEU A 18 -5.854 9.920 -9.694 1.00 0.00 C ATOM 216 C LEU A 18 -6.710 8.658 -9.578 1.00 0.00 C ATOM 217 O LEU A 18 -6.300 7.680 -8.955 1.00 0.00 O ATOM 218 CB LEU A 18 -5.952 10.607 -11.058 1.00 0.00 C ATOM 219 CG LEU A 18 -6.489 12.040 -11.050 1.00 0.00 C ATOM 220 CD1 LEU A 18 -6.229 12.730 -12.390 1.00 0.00 C ATOM 221 CD2 LEU A 18 -7.971 12.068 -10.669 1.00 0.00 C ATOM 0 H LEU A 18 -4.304 8.610 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.245 10.637 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.961 10.614 -11.511 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.592 10.004 -11.701 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.950 12.603 -10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.620 13.747 -12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.156 12.760 -12.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.725 12.176 -13.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.328 13.098 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.543 11.485 -11.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.099 11.641 -9.674 1.00 0.00 H new ATOM 233 N ALA A 19 -7.885 8.720 -10.187 1.00 0.00 N ATOM 234 CA ALA A 19 -8.803 7.595 -10.160 1.00 0.00 C ATOM 235 C ALA A 19 -8.607 6.752 -11.422 1.00 0.00 C ATOM 236 O ALA A 19 -9.577 6.378 -12.080 1.00 0.00 O ATOM 237 CB ALA A 19 -10.237 8.108 -10.019 1.00 0.00 C ATOM 0 H ALA A 19 -8.222 9.533 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.600 6.955 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.925 7.263 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.331 8.675 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.478 8.752 -10.865 1.00 0.00 H new ATOM 243 N GLU A 20 -7.346 6.477 -11.721 1.00 0.00 N ATOM 244 CA GLU A 20 -7.011 5.685 -12.893 1.00 0.00 C ATOM 245 C GLU A 20 -5.954 4.636 -12.540 1.00 0.00 C ATOM 246 O GLU A 20 -4.761 4.935 -12.517 1.00 0.00 O ATOM 247 CB GLU A 20 -6.535 6.578 -14.040 1.00 0.00 C ATOM 248 CG GLU A 20 -7.326 6.295 -15.319 1.00 0.00 C ATOM 249 CD GLU A 20 -8.185 7.499 -15.710 1.00 0.00 C ATOM 250 OE1 GLU A 20 -7.640 8.384 -16.404 1.00 0.00 O ATOM 251 OE2 GLU A 20 -9.368 7.507 -15.306 1.00 0.00 O ATOM 0 H GLU A 20 -6.544 6.788 -11.173 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.910 5.168 -13.228 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.649 7.626 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.473 6.410 -14.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.639 6.055 -16.130 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.962 5.422 -15.172 1.00 0.00 H new ATOM 258 N GLU A 21 -6.430 3.429 -12.273 1.00 0.00 N ATOM 259 CA GLU A 21 -5.541 2.334 -11.922 1.00 0.00 C ATOM 260 C GLU A 21 -5.530 1.283 -13.033 1.00 0.00 C ATOM 261 O GLU A 21 -4.946 0.212 -12.874 1.00 0.00 O ATOM 262 CB GLU A 21 -5.940 1.712 -10.583 1.00 0.00 C ATOM 263 CG GLU A 21 -7.435 1.391 -10.551 1.00 0.00 C ATOM 264 CD GLU A 21 -7.728 0.240 -9.586 1.00 0.00 C ATOM 265 OE1 GLU A 21 -7.168 -0.853 -9.820 1.00 0.00 O ATOM 266 OE2 GLU A 21 -8.505 0.479 -8.636 1.00 0.00 O ATOM 0 H GLU A 21 -7.420 3.185 -12.293 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.532 2.731 -11.814 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.365 0.801 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.694 2.398 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.994 2.276 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.775 1.127 -11.552 1.00 0.00 H new ATOM 273 N LYS A 22 -6.182 1.625 -14.135 1.00 0.00 N ATOM 274 CA LYS A 22 -6.254 0.724 -15.272 1.00 0.00 C ATOM 275 C LYS A 22 -4.837 0.366 -15.725 1.00 0.00 C ATOM 276 O LYS A 22 -3.873 0.595 -14.997 1.00 0.00 O ATOM 277 CB LYS A 22 -7.120 1.327 -16.380 1.00 0.00 C ATOM 278 CG LYS A 22 -7.930 0.244 -17.095 1.00 0.00 C ATOM 279 CD LYS A 22 -9.394 0.664 -17.245 1.00 0.00 C ATOM 280 CE LYS A 22 -10.122 -0.233 -18.248 1.00 0.00 C ATOM 281 NZ LYS A 22 -9.901 0.250 -19.630 1.00 0.00 N ATOM 0 H LYS A 22 -6.665 2.514 -14.264 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.743 -0.208 -14.989 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.795 2.070 -15.955 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.487 1.846 -17.099 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.500 0.053 -18.078 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.871 -0.689 -16.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.892 0.612 -16.277 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.446 1.702 -17.575 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.765 -1.259 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.189 -0.245 -18.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.402 -0.370 -20.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.263 1.221 -19.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.883 0.238 -19.843 1.00 0.00 H new ATOM 295 N LEU A 23 -4.756 -0.191 -16.924 1.00 0.00 N ATOM 296 CA LEU A 23 -3.473 -0.583 -17.482 1.00 0.00 C ATOM 297 C LEU A 23 -2.785 -1.562 -16.529 1.00 0.00 C ATOM 298 O LEU A 23 -3.159 -1.663 -15.362 1.00 0.00 O ATOM 299 CB LEU A 23 -2.632 0.652 -17.809 1.00 0.00 C ATOM 300 CG LEU A 23 -2.565 1.047 -19.286 1.00 0.00 C ATOM 301 CD1 LEU A 23 -3.047 2.484 -19.491 1.00 0.00 C ATOM 302 CD2 LEU A 23 -1.159 0.828 -19.849 1.00 0.00 C ATOM 0 H LEU A 23 -5.558 -0.380 -17.525 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.612 -1.105 -18.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.028 1.497 -17.245 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.616 0.480 -17.453 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.240 0.398 -19.844 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.989 2.740 -20.549 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.079 2.573 -19.152 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.417 3.164 -18.918 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.139 1.116 -20.900 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.445 1.435 -19.292 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.890 -0.224 -19.756 1.00 0.00 H new ATOM 314 N PRO A 24 -1.765 -2.276 -17.076 1.00 0.00 N ATOM 315 CA PRO A 24 -1.021 -3.243 -16.288 1.00 0.00 C ATOM 316 C PRO A 24 -0.060 -2.543 -15.325 1.00 0.00 C ATOM 317 O PRO A 24 -0.154 -1.333 -15.119 1.00 0.00 O ATOM 318 CB PRO A 24 -0.309 -4.117 -17.307 1.00 0.00 C ATOM 319 CG PRO A 24 -0.306 -3.327 -18.605 1.00 0.00 C ATOM 320 CD PRO A 24 -1.295 -2.182 -18.455 1.00 0.00 C ATOM 0 HA PRO A 24 -1.664 -3.846 -15.646 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.708 -4.343 -16.985 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.823 -5.070 -17.431 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.692 -2.944 -18.817 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.586 -3.967 -19.442 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.819 -1.220 -18.646 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.120 -2.276 -19.162 1.00 0.00 H new ATOM 328 N MET A 25 0.842 -3.332 -14.761 1.00 0.00 N ATOM 329 CA MET A 25 1.819 -2.803 -13.825 1.00 0.00 C ATOM 330 C MET A 25 2.476 -1.535 -14.376 1.00 0.00 C ATOM 331 O MET A 25 3.346 -1.609 -15.242 1.00 0.00 O ATOM 332 CB MET A 25 2.894 -3.859 -13.557 1.00 0.00 C ATOM 333 CG MET A 25 3.244 -3.919 -12.069 1.00 0.00 C ATOM 334 SD MET A 25 4.788 -4.784 -11.840 1.00 0.00 S ATOM 335 CE MET A 25 4.571 -5.367 -10.166 1.00 0.00 C ATOM 0 H MET A 25 0.917 -4.334 -14.934 1.00 0.00 H new ATOM 0 HA MET A 25 1.305 -2.550 -12.897 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.542 -4.835 -13.891 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.788 -3.628 -14.136 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.319 -2.910 -11.664 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.449 -4.425 -11.520 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.284 -4.866 -9.511 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.557 -5.148 -9.833 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.740 -6.443 -10.131 1.00 0.00 H new ATOM 345 N THR A 26 2.033 -0.402 -13.851 1.00 0.00 N ATOM 346 CA THR A 26 2.566 0.880 -14.280 1.00 0.00 C ATOM 347 C THR A 26 3.722 1.306 -13.373 1.00 0.00 C ATOM 348 O THR A 26 4.683 1.920 -13.834 1.00 0.00 O ATOM 349 CB THR A 26 1.414 1.885 -14.309 1.00 0.00 C ATOM 350 OG1 THR A 26 0.654 1.576 -13.143 1.00 0.00 O ATOM 351 CG2 THR A 26 0.443 1.632 -15.464 1.00 0.00 C ATOM 0 H THR A 26 1.311 -0.345 -13.133 1.00 0.00 H new ATOM 0 HA THR A 26 2.987 0.818 -15.284 1.00 0.00 H new ATOM 0 HB THR A 26 1.817 2.895 -14.389 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.113 2.183 -13.082 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.355 2.374 -15.437 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.977 1.707 -16.411 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.015 0.634 -15.367 1.00 0.00 H new ATOM 359 N LEU A 27 3.591 0.964 -12.100 1.00 0.00 N ATOM 360 CA LEU A 27 4.613 1.304 -11.124 1.00 0.00 C ATOM 361 C LEU A 27 5.371 0.037 -10.724 1.00 0.00 C ATOM 362 O LEU A 27 4.783 -0.898 -10.183 1.00 0.00 O ATOM 363 CB LEU A 27 3.996 2.051 -9.940 1.00 0.00 C ATOM 364 CG LEU A 27 2.813 2.965 -10.267 1.00 0.00 C ATOM 365 CD1 LEU A 27 2.015 3.300 -9.005 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.279 4.224 -11.002 1.00 0.00 C ATOM 0 H LEU A 27 2.792 0.455 -11.721 1.00 0.00 H new ATOM 0 HA LEU A 27 5.342 1.989 -11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.670 1.317 -9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.774 2.651 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 27 2.143 2.430 -10.940 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.180 3.951 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.634 2.380 -8.561 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.662 3.808 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.419 4.856 -11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.981 4.773 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.769 3.941 -11.933 1.00 0.00 H new ATOM 378 N SER A 28 6.666 0.047 -11.006 1.00 0.00 N ATOM 379 CA SER A 28 7.511 -1.090 -10.682 1.00 0.00 C ATOM 380 C SER A 28 7.756 -1.147 -9.173 1.00 0.00 C ATOM 381 O SER A 28 7.460 -0.192 -8.456 1.00 0.00 O ATOM 382 CB SER A 28 8.841 -1.019 -11.434 1.00 0.00 C ATOM 383 OG SER A 28 8.662 -1.090 -12.845 1.00 0.00 O ATOM 0 H SER A 28 7.150 0.824 -11.455 1.00 0.00 H new ATOM 0 HA SER A 28 6.996 -1.999 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.352 -0.090 -11.180 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.485 -1.836 -11.109 1.00 0.00 H new ATOM 0 HG SER A 28 9.535 -1.040 -13.288 1.00 0.00 H new ATOM 389 N ARG A 29 8.294 -2.276 -8.735 1.00 0.00 N ATOM 390 CA ARG A 29 8.582 -2.469 -7.324 1.00 0.00 C ATOM 391 C ARG A 29 9.134 -1.180 -6.713 1.00 0.00 C ATOM 392 O ARG A 29 8.597 -0.675 -5.729 1.00 0.00 O ATOM 393 CB ARG A 29 9.595 -3.598 -7.119 1.00 0.00 C ATOM 394 CG ARG A 29 10.748 -3.488 -8.118 1.00 0.00 C ATOM 395 CD ARG A 29 12.008 -2.941 -7.443 1.00 0.00 C ATOM 396 NE ARG A 29 12.856 -2.250 -8.440 1.00 0.00 N ATOM 397 CZ ARG A 29 14.151 -1.960 -8.252 1.00 0.00 C ATOM 398 NH1 ARG A 29 14.755 -2.301 -7.105 1.00 0.00 N ATOM 399 NH2 ARG A 29 14.843 -1.330 -9.211 1.00 0.00 N ATOM 0 H ARG A 29 8.538 -3.066 -9.332 1.00 0.00 H new ATOM 0 HA ARG A 29 7.649 -2.738 -6.829 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.985 -3.561 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.099 -4.562 -7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.957 -4.468 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.459 -2.835 -8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.733 -2.250 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.566 -3.755 -6.981 1.00 0.00 H new ATOM 0 HE ARG A 29 12.428 -1.978 -9.325 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.229 -2.781 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.741 -2.080 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.384 -1.071 -10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.828 -1.109 -9.068 1.00 0.00 H new ATOM 413 N GLN A 30 10.201 -0.684 -7.323 1.00 0.00 N ATOM 414 CA GLN A 30 10.832 0.537 -6.851 1.00 0.00 C ATOM 415 C GLN A 30 9.825 1.689 -6.850 1.00 0.00 C ATOM 416 O GLN A 30 9.740 2.443 -5.882 1.00 0.00 O ATOM 417 CB GLN A 30 12.059 0.882 -7.697 1.00 0.00 C ATOM 418 CG GLN A 30 12.965 1.877 -6.969 1.00 0.00 C ATOM 419 CD GLN A 30 14.367 1.892 -7.582 1.00 0.00 C ATOM 420 OE1 GLN A 30 15.297 1.279 -7.085 1.00 0.00 O ATOM 421 NE2 GLN A 30 14.466 2.626 -8.687 1.00 0.00 N ATOM 0 H GLN A 30 10.644 -1.105 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 30 11.171 0.376 -5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.617 -0.027 -7.922 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.741 1.304 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.531 2.875 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.028 1.612 -5.914 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.647 3.114 -9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.361 2.701 -9.171 1.00 0.00 H new ATOM 430 N GLU A 31 9.087 1.789 -7.946 1.00 0.00 N ATOM 431 CA GLU A 31 8.089 2.836 -8.083 1.00 0.00 C ATOM 432 C GLU A 31 7.014 2.690 -7.004 1.00 0.00 C ATOM 433 O GLU A 31 6.355 3.664 -6.644 1.00 0.00 O ATOM 434 CB GLU A 31 7.468 2.821 -9.481 1.00 0.00 C ATOM 435 CG GLU A 31 6.739 4.134 -9.771 1.00 0.00 C ATOM 436 CD GLU A 31 7.713 5.314 -9.769 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.879 5.087 -10.156 1.00 0.00 O ATOM 438 OE2 GLU A 31 7.268 6.416 -9.380 1.00 0.00 O ATOM 0 H GLU A 31 9.160 1.162 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 31 8.581 3.800 -7.950 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.246 2.661 -10.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.770 1.988 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.240 4.071 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.964 4.297 -9.022 1.00 0.00 H new ATOM 445 N VAL A 32 6.871 1.465 -6.518 1.00 0.00 N ATOM 446 CA VAL A 32 5.888 1.180 -5.487 1.00 0.00 C ATOM 447 C VAL A 32 6.540 1.328 -4.111 1.00 0.00 C ATOM 448 O VAL A 32 5.880 1.707 -3.145 1.00 0.00 O ATOM 449 CB VAL A 32 5.280 -0.206 -5.714 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.723 -0.781 -4.410 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.201 -0.161 -6.798 1.00 0.00 C ATOM 0 H VAL A 32 7.419 0.659 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 32 5.066 1.894 -5.535 1.00 0.00 H new ATOM 0 HB VAL A 32 6.075 -0.867 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.297 -1.766 -4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.526 -0.868 -3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.949 -0.119 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.785 -1.159 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.408 0.523 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.640 0.185 -7.734 1.00 0.00 H new ATOM 461 N ILE A 33 7.829 1.023 -4.066 1.00 0.00 N ATOM 462 CA ILE A 33 8.577 1.118 -2.824 1.00 0.00 C ATOM 463 C ILE A 33 8.746 2.591 -2.447 1.00 0.00 C ATOM 464 O ILE A 33 8.559 2.965 -1.291 1.00 0.00 O ATOM 465 CB ILE A 33 9.899 0.356 -2.936 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.666 -1.156 -2.898 1.00 0.00 C ATOM 467 CG2 ILE A 33 10.887 0.811 -1.860 1.00 0.00 C ATOM 468 CD1 ILE A 33 10.847 -1.909 -3.512 1.00 0.00 C ATOM 0 H ILE A 33 8.374 0.710 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 33 8.029 0.642 -2.011 1.00 0.00 H new ATOM 0 HB ILE A 33 10.346 0.588 -3.903 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.521 -1.479 -1.867 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.753 -1.400 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.818 0.254 -1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.087 1.876 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.461 0.628 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.655 -2.981 -3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 33 10.975 -1.602 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.754 -1.682 -2.952 1.00 0.00 H new ATOM 480 N ARG A 34 9.099 3.388 -3.446 1.00 0.00 N ATOM 481 CA ARG A 34 9.296 4.812 -3.233 1.00 0.00 C ATOM 482 C ARG A 34 8.156 5.385 -2.389 1.00 0.00 C ATOM 483 O ARG A 34 8.382 5.873 -1.283 1.00 0.00 O ATOM 484 CB ARG A 34 9.363 5.563 -4.565 1.00 0.00 C ATOM 485 CG ARG A 34 10.339 6.738 -4.483 1.00 0.00 C ATOM 486 CD ARG A 34 11.739 6.321 -4.940 1.00 0.00 C ATOM 487 NE ARG A 34 12.494 7.506 -5.403 1.00 0.00 N ATOM 488 CZ ARG A 34 13.828 7.550 -5.515 1.00 0.00 C ATOM 489 NH1 ARG A 34 14.563 6.475 -5.197 1.00 0.00 N ATOM 490 NH2 ARG A 34 14.428 8.669 -5.944 1.00 0.00 N ATOM 0 H ARG A 34 9.253 3.074 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 34 10.242 4.942 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.675 4.881 -5.356 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.371 5.928 -4.831 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.979 7.558 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.382 7.109 -3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.270 5.839 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.665 5.589 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 34 11.966 8.342 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.106 5.624 -4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.579 6.508 -5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.869 9.487 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.444 8.702 -6.029 1.00 0.00 H new ATOM 504 N ARG A 35 6.954 5.306 -2.943 1.00 0.00 N ATOM 505 CA ARG A 35 5.779 5.811 -2.255 1.00 0.00 C ATOM 506 C ARG A 35 5.614 5.113 -0.903 1.00 0.00 C ATOM 507 O ARG A 35 5.672 5.757 0.143 1.00 0.00 O ATOM 508 CB ARG A 35 4.515 5.593 -3.090 1.00 0.00 C ATOM 509 CG ARG A 35 4.471 6.556 -4.278 1.00 0.00 C ATOM 510 CD ARG A 35 4.175 5.808 -5.579 1.00 0.00 C ATOM 511 NE ARG A 35 3.694 6.756 -6.610 1.00 0.00 N ATOM 512 CZ ARG A 35 4.466 7.677 -7.202 1.00 0.00 C ATOM 513 NH1 ARG A 35 5.760 7.781 -6.869 1.00 0.00 N ATOM 514 NH2 ARG A 35 3.944 8.495 -8.126 1.00 0.00 N ATOM 0 H ARG A 35 6.770 4.900 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 35 5.920 6.881 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.485 4.564 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.633 5.738 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.706 7.314 -4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.424 7.078 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.074 5.302 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.424 5.038 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 35 2.714 6.705 -6.887 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.157 7.159 -6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.348 8.482 -7.320 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.959 8.416 -8.379 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.532 9.196 -8.577 1.00 0.00 H new ATOM 528 N LEU A 36 5.413 3.805 -0.969 1.00 0.00 N ATOM 529 CA LEU A 36 5.240 3.013 0.237 1.00 0.00 C ATOM 530 C LEU A 36 6.221 3.498 1.306 1.00 0.00 C ATOM 531 O LEU A 36 5.839 3.702 2.458 1.00 0.00 O ATOM 532 CB LEU A 36 5.364 1.521 -0.080 1.00 0.00 C ATOM 533 CG LEU A 36 4.229 0.914 -0.907 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.565 -0.517 -1.331 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.900 0.991 -0.154 1.00 0.00 C ATOM 0 H LEU A 36 5.366 3.274 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 36 4.236 3.148 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.301 1.360 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.434 0.975 0.861 1.00 0.00 H new ATOM 0 HG LEU A 36 4.117 1.502 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.742 -0.925 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.473 -0.514 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.719 -1.132 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.110 0.553 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.981 0.442 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.660 2.033 0.056 1.00 0.00 H new ATOM 547 N ARG A 37 7.466 3.670 0.887 1.00 0.00 N ATOM 548 CA ARG A 37 8.504 4.128 1.795 1.00 0.00 C ATOM 549 C ARG A 37 8.102 5.460 2.432 1.00 0.00 C ATOM 550 O ARG A 37 7.952 5.549 3.650 1.00 0.00 O ATOM 551 CB ARG A 37 9.837 4.302 1.064 1.00 0.00 C ATOM 552 CG ARG A 37 10.780 3.133 1.358 1.00 0.00 C ATOM 553 CD ARG A 37 11.933 3.093 0.353 1.00 0.00 C ATOM 554 NE ARG A 37 13.219 3.317 1.049 1.00 0.00 N ATOM 555 CZ ARG A 37 13.697 4.526 1.374 1.00 0.00 C ATOM 556 NH1 ARG A 37 12.997 5.627 1.068 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.874 4.634 2.004 1.00 0.00 N ATOM 0 H ARG A 37 7.779 3.501 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 37 8.624 3.372 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.661 4.371 -0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.305 5.237 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.177 3.227 2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.226 2.195 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.949 2.130 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.786 3.856 -0.412 1.00 0.00 H new ATOM 0 HE ARG A 37 13.777 2.500 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.101 5.545 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.360 6.547 1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.407 3.796 2.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.238 5.554 2.251 1.00 0.00 H new ATOM 571 N GLU A 38 7.940 6.462 1.581 1.00 0.00 N ATOM 572 CA GLU A 38 7.559 7.785 2.046 1.00 0.00 C ATOM 573 C GLU A 38 6.247 7.714 2.830 1.00 0.00 C ATOM 574 O GLU A 38 5.912 8.637 3.571 1.00 0.00 O ATOM 575 CB GLU A 38 7.446 8.765 0.877 1.00 0.00 C ATOM 576 CG GLU A 38 8.816 9.343 0.512 1.00 0.00 C ATOM 577 CD GLU A 38 8.786 10.872 0.523 1.00 0.00 C ATOM 578 OE1 GLU A 38 8.412 11.441 -0.525 1.00 0.00 O ATOM 579 OE2 GLU A 38 9.139 11.439 1.580 1.00 0.00 O ATOM 0 H GLU A 38 8.066 6.385 0.572 1.00 0.00 H new ATOM 0 HA GLU A 38 8.339 8.153 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.019 8.257 0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.764 9.574 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.565 8.985 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.113 8.989 -0.475 1.00 0.00 H new ATOM 586 N ARG A 39 5.540 6.610 2.641 1.00 0.00 N ATOM 587 CA ARG A 39 4.273 6.407 3.321 1.00 0.00 C ATOM 588 C ARG A 39 4.491 5.660 4.639 1.00 0.00 C ATOM 589 O ARG A 39 3.605 5.626 5.491 1.00 0.00 O ATOM 590 CB ARG A 39 3.300 5.611 2.448 1.00 0.00 C ATOM 591 CG ARG A 39 3.099 6.291 1.092 1.00 0.00 C ATOM 592 CD ARG A 39 1.647 6.738 0.912 1.00 0.00 C ATOM 593 NE ARG A 39 1.605 8.127 0.404 1.00 0.00 N ATOM 594 CZ ARG A 39 1.656 9.215 1.185 1.00 0.00 C ATOM 595 NH1 ARG A 39 1.752 9.081 2.515 1.00 0.00 N ATOM 596 NH2 ARG A 39 1.612 10.437 0.636 1.00 0.00 N ATOM 0 H ARG A 39 5.821 5.846 2.026 1.00 0.00 H new ATOM 0 HA ARG A 39 3.844 7.389 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.682 4.601 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.341 5.518 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.761 7.153 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.373 5.603 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.136 6.072 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.117 6.673 1.862 1.00 0.00 H new ATOM 0 HE ARG A 39 1.533 8.265 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.786 8.151 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.791 9.909 3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.540 10.539 -0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.651 11.265 1.231 1.00 0.00 H new ATOM 610 N GLY A 40 5.676 5.081 4.765 1.00 0.00 N ATOM 611 CA GLY A 40 6.023 4.338 5.964 1.00 0.00 C ATOM 612 C GLY A 40 5.509 2.899 5.885 1.00 0.00 C ATOM 613 O GLY A 40 5.545 2.168 6.873 1.00 0.00 O ATOM 0 H GLY A 40 6.408 5.112 4.056 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.105 4.335 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.599 4.832 6.838 1.00 0.00 H new ATOM 617 N GLU A 41 5.043 2.535 4.699 1.00 0.00 N ATOM 618 CA GLU A 41 4.523 1.197 4.477 1.00 0.00 C ATOM 619 C GLU A 41 5.672 0.209 4.265 1.00 0.00 C ATOM 620 O GLU A 41 6.769 0.603 3.872 1.00 0.00 O ATOM 621 CB GLU A 41 3.554 1.174 3.293 1.00 0.00 C ATOM 622 CG GLU A 41 2.475 2.248 3.447 1.00 0.00 C ATOM 623 CD GLU A 41 1.141 1.628 3.868 1.00 0.00 C ATOM 624 OE1 GLU A 41 1.183 0.500 4.403 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.109 2.298 3.645 1.00 0.00 O ATOM 0 H GLU A 41 5.015 3.144 3.881 1.00 0.00 H new ATOM 0 HA GLU A 41 3.967 0.893 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.103 1.336 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.087 0.192 3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.790 2.981 4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.351 2.782 2.505 1.00 0.00 H new ATOM 632 N PRO A 42 5.373 -1.089 4.540 1.00 0.00 N ATOM 633 CA PRO A 42 6.368 -2.136 4.383 1.00 0.00 C ATOM 634 C PRO A 42 6.590 -2.464 2.905 1.00 0.00 C ATOM 635 O PRO A 42 5.669 -2.908 2.220 1.00 0.00 O ATOM 636 CB PRO A 42 5.829 -3.313 5.179 1.00 0.00 C ATOM 637 CG PRO A 42 4.345 -3.045 5.366 1.00 0.00 C ATOM 638 CD PRO A 42 4.084 -1.592 5.007 1.00 0.00 C ATOM 0 HA PRO A 42 7.351 -1.841 4.750 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.993 -4.251 4.648 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.335 -3.398 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.755 -3.707 4.732 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.048 -3.243 6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.321 -1.506 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.728 -1.029 5.869 1.00 0.00 H new ATOM 646 N ILE A 43 7.815 -2.234 2.458 1.00 0.00 N ATOM 647 CA ILE A 43 8.169 -2.500 1.075 1.00 0.00 C ATOM 648 C ILE A 43 7.912 -3.976 0.762 1.00 0.00 C ATOM 649 O ILE A 43 7.725 -4.345 -0.397 1.00 0.00 O ATOM 650 CB ILE A 43 9.605 -2.053 0.793 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.569 -2.613 1.842 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.695 -0.530 0.688 1.00 0.00 C ATOM 653 CD1 ILE A 43 12.014 -2.566 1.339 1.00 0.00 C ATOM 0 H ILE A 43 8.575 -1.866 3.030 1.00 0.00 H new ATOM 0 HA ILE A 43 7.540 -1.916 0.402 1.00 0.00 H new ATOM 0 HB ILE A 43 9.906 -2.460 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.482 -2.039 2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.296 -3.641 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.726 -0.239 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.056 -0.183 -0.124 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.367 -0.081 1.625 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.679 -2.969 2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.102 -3.161 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.291 -1.534 1.125 1.00 0.00 H new ATOM 665 N ARG A 44 7.911 -4.780 1.815 1.00 0.00 N ATOM 666 CA ARG A 44 7.680 -6.207 1.667 1.00 0.00 C ATOM 667 C ARG A 44 7.079 -6.783 2.950 1.00 0.00 C ATOM 668 O ARG A 44 7.744 -6.831 3.984 1.00 0.00 O ATOM 669 CB ARG A 44 8.981 -6.945 1.345 1.00 0.00 C ATOM 670 CG ARG A 44 8.736 -8.448 1.196 1.00 0.00 C ATOM 671 CD ARG A 44 7.821 -8.739 0.005 1.00 0.00 C ATOM 672 NE ARG A 44 8.223 -10.007 -0.643 1.00 0.00 N ATOM 673 CZ ARG A 44 9.267 -10.128 -1.475 1.00 0.00 C ATOM 674 NH1 ARG A 44 10.020 -9.058 -1.764 1.00 0.00 N ATOM 675 NH2 ARG A 44 9.558 -11.318 -2.017 1.00 0.00 N ATOM 0 H ARG A 44 8.067 -4.470 2.774 1.00 0.00 H new ATOM 0 HA ARG A 44 6.983 -6.346 0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.409 -6.550 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.709 -6.768 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.687 -8.964 1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.286 -8.839 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.785 -8.804 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.874 -7.921 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 44 7.671 -10.841 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.799 -8.152 -1.351 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.815 -9.149 -2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.985 -12.133 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.353 -11.409 -2.650 1.00 0.00 H new ATOM 689 N LEU A 45 5.828 -7.206 2.842 1.00 0.00 N ATOM 690 CA LEU A 45 5.130 -7.777 3.982 1.00 0.00 C ATOM 691 C LEU A 45 5.661 -9.187 4.245 1.00 0.00 C ATOM 692 O LEU A 45 6.648 -9.605 3.642 1.00 0.00 O ATOM 693 CB LEU A 45 3.616 -7.720 3.766 1.00 0.00 C ATOM 694 CG LEU A 45 2.919 -6.442 4.239 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.745 -6.088 3.323 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.489 -6.561 5.702 1.00 0.00 C ATOM 0 H LEU A 45 5.280 -7.165 1.983 1.00 0.00 H new ATOM 0 HA LEU A 45 5.323 -7.191 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.416 -7.847 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.163 -8.568 4.279 1.00 0.00 H new ATOM 0 HG LEU A 45 3.633 -5.621 4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.267 -5.176 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.110 -5.932 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.021 -6.903 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.996 -5.640 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.798 -7.397 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.366 -6.732 6.326 1.00 0.00 H new ATOM 708 N PHE A 46 4.982 -9.882 5.146 1.00 0.00 N ATOM 709 CA PHE A 46 5.373 -11.237 5.496 1.00 0.00 C ATOM 710 C PHE A 46 4.734 -12.254 4.549 1.00 0.00 C ATOM 711 O PHE A 46 3.880 -13.039 4.960 1.00 0.00 O ATOM 712 CB PHE A 46 4.870 -11.494 6.918 1.00 0.00 C ATOM 713 CG PHE A 46 5.294 -12.847 7.493 1.00 0.00 C ATOM 714 CD1 PHE A 46 6.614 -13.157 7.599 1.00 0.00 C ATOM 715 CD2 PHE A 46 4.351 -13.740 7.898 1.00 0.00 C ATOM 716 CE1 PHE A 46 7.008 -14.413 8.132 1.00 0.00 C ATOM 717 CE2 PHE A 46 4.745 -14.995 8.432 1.00 0.00 C ATOM 718 CZ PHE A 46 6.065 -15.305 8.538 1.00 0.00 C ATOM 0 H PHE A 46 4.164 -9.532 5.644 1.00 0.00 H new ATOM 0 HA PHE A 46 6.455 -11.343 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.237 -10.702 7.571 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.782 -11.433 6.924 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.363 -12.448 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.303 -13.494 7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.056 -14.660 8.215 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.996 -15.704 8.754 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.364 -16.260 8.945 1.00 0.00 H new ATOM 728 N GLY A 47 5.172 -12.208 3.300 1.00 0.00 N ATOM 729 CA GLY A 47 4.653 -13.117 2.291 1.00 0.00 C ATOM 730 C GLY A 47 3.950 -12.348 1.171 1.00 0.00 C ATOM 731 O GLY A 47 2.810 -12.654 0.823 1.00 0.00 O ATOM 0 H GLY A 47 5.880 -11.556 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.469 -13.708 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.955 -13.816 2.751 1.00 0.00 H new ATOM 735 N GLU A 48 4.658 -11.363 0.637 1.00 0.00 N ATOM 736 CA GLU A 48 4.116 -10.548 -0.437 1.00 0.00 C ATOM 737 C GLU A 48 5.017 -10.630 -1.671 1.00 0.00 C ATOM 738 O GLU A 48 6.163 -11.067 -1.580 1.00 0.00 O ATOM 739 CB GLU A 48 3.934 -9.098 0.014 1.00 0.00 C ATOM 740 CG GLU A 48 2.471 -8.809 0.356 1.00 0.00 C ATOM 741 CD GLU A 48 2.239 -7.309 0.548 1.00 0.00 C ATOM 742 OE1 GLU A 48 3.225 -6.621 0.887 1.00 0.00 O ATOM 743 OE2 GLU A 48 1.079 -6.885 0.351 1.00 0.00 O ATOM 0 H GLU A 48 5.602 -11.111 0.928 1.00 0.00 H new ATOM 0 HA GLU A 48 3.133 -10.937 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.560 -8.903 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.267 -8.424 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.827 -9.181 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.194 -9.343 1.265 1.00 0.00 H new ATOM 750 N THR A 49 4.464 -10.202 -2.797 1.00 0.00 N ATOM 751 CA THR A 49 5.203 -10.221 -4.048 1.00 0.00 C ATOM 752 C THR A 49 5.112 -8.860 -4.742 1.00 0.00 C ATOM 753 O THR A 49 4.432 -7.957 -4.258 1.00 0.00 O ATOM 754 CB THR A 49 4.664 -11.374 -4.897 1.00 0.00 C ATOM 755 OG1 THR A 49 5.496 -11.370 -6.055 1.00 0.00 O ATOM 756 CG2 THR A 49 3.263 -11.093 -5.444 1.00 0.00 C ATOM 0 H THR A 49 3.513 -9.840 -2.869 1.00 0.00 H new ATOM 0 HA THR A 49 6.266 -10.393 -3.878 1.00 0.00 H new ATOM 0 HB THR A 49 4.644 -12.286 -4.301 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.437 -11.367 -5.782 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.928 -11.942 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.573 -10.936 -4.615 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.289 -10.200 -6.068 1.00 0.00 H new ATOM 764 N ASP A 50 5.807 -8.757 -5.865 1.00 0.00 N ATOM 765 CA ASP A 50 5.813 -7.522 -6.631 1.00 0.00 C ATOM 766 C ASP A 50 4.372 -7.059 -6.854 1.00 0.00 C ATOM 767 O ASP A 50 4.057 -5.886 -6.659 1.00 0.00 O ATOM 768 CB ASP A 50 6.461 -7.727 -8.001 1.00 0.00 C ATOM 769 CG ASP A 50 7.977 -7.936 -7.975 1.00 0.00 C ATOM 770 OD1 ASP A 50 8.573 -7.631 -6.920 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.505 -8.395 -9.011 1.00 0.00 O ATOM 0 H ASP A 50 6.370 -9.509 -6.263 1.00 0.00 H new ATOM 0 HA ASP A 50 6.382 -6.780 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.999 -8.590 -8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.239 -6.861 -8.624 1.00 0.00 H new ATOM 776 N TYR A 51 3.536 -8.003 -7.259 1.00 0.00 N ATOM 777 CA TYR A 51 2.136 -7.706 -7.511 1.00 0.00 C ATOM 778 C TYR A 51 1.441 -7.222 -6.237 1.00 0.00 C ATOM 779 O TYR A 51 0.960 -6.092 -6.179 1.00 0.00 O ATOM 780 CB TYR A 51 1.499 -9.024 -7.956 1.00 0.00 C ATOM 781 CG TYR A 51 0.268 -8.850 -8.848 1.00 0.00 C ATOM 782 CD1 TYR A 51 0.358 -8.113 -10.011 1.00 0.00 C ATOM 783 CD2 TYR A 51 -0.932 -9.430 -8.489 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.801 -7.949 -10.851 1.00 0.00 C ATOM 785 CE2 TYR A 51 -2.090 -9.266 -9.328 1.00 0.00 C ATOM 786 CZ TYR A 51 -1.967 -8.533 -10.468 1.00 0.00 C ATOM 787 OH TYR A 51 -3.062 -8.379 -11.261 1.00 0.00 O ATOM 0 H TYR A 51 3.801 -8.975 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 51 2.039 -6.921 -8.261 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.243 -9.613 -8.492 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.217 -9.596 -7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.297 -7.659 -10.292 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.002 -10.007 -7.579 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.745 -7.375 -11.764 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.035 -9.714 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.823 -8.852 -10.863 1.00 0.00 H new ATOM 797 N ASP A 52 1.410 -8.102 -5.247 1.00 0.00 N ATOM 798 CA ASP A 52 0.781 -7.779 -3.978 1.00 0.00 C ATOM 799 C ASP A 52 1.237 -6.390 -3.527 1.00 0.00 C ATOM 800 O ASP A 52 0.412 -5.516 -3.265 1.00 0.00 O ATOM 801 CB ASP A 52 1.180 -8.783 -2.894 1.00 0.00 C ATOM 802 CG ASP A 52 0.027 -9.292 -2.028 1.00 0.00 C ATOM 803 OD1 ASP A 52 -0.374 -8.537 -1.116 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.428 -10.425 -2.297 1.00 0.00 O ATOM 0 H ASP A 52 1.810 -9.039 -5.298 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.299 -7.811 -4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.661 -9.637 -3.371 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.924 -8.319 -2.246 1.00 0.00 H new ATOM 809 N ALA A 53 2.550 -6.229 -3.449 1.00 0.00 N ATOM 810 CA ALA A 53 3.126 -4.962 -3.035 1.00 0.00 C ATOM 811 C ALA A 53 2.656 -3.858 -3.985 1.00 0.00 C ATOM 812 O ALA A 53 2.213 -2.800 -3.542 1.00 0.00 O ATOM 813 CB ALA A 53 4.651 -5.083 -2.990 1.00 0.00 C ATOM 0 H ALA A 53 3.231 -6.956 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 53 2.791 -4.698 -2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.082 -4.132 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.934 -5.859 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.025 -5.345 -3.980 1.00 0.00 H new ATOM 819 N PHE A 54 2.770 -4.143 -5.274 1.00 0.00 N ATOM 820 CA PHE A 54 2.363 -3.188 -6.290 1.00 0.00 C ATOM 821 C PHE A 54 0.899 -2.783 -6.107 1.00 0.00 C ATOM 822 O PHE A 54 0.597 -1.610 -5.892 1.00 0.00 O ATOM 823 CB PHE A 54 2.522 -3.881 -7.645 1.00 0.00 C ATOM 824 CG PHE A 54 1.707 -3.242 -8.771 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.934 -1.948 -9.125 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.755 -3.967 -9.417 1.00 0.00 C ATOM 827 CE1 PHE A 54 1.177 -1.355 -10.169 1.00 0.00 C ATOM 828 CE2 PHE A 54 -0.001 -3.373 -10.462 1.00 0.00 C ATOM 829 CZ PHE A 54 0.226 -2.080 -10.816 1.00 0.00 C ATOM 0 H PHE A 54 3.138 -5.022 -5.638 1.00 0.00 H new ATOM 0 HA PHE A 54 2.973 -2.287 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.576 -3.873 -7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.226 -4.925 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.690 -1.372 -8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.574 -4.994 -9.135 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.356 -0.328 -10.450 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.757 -3.949 -10.976 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.349 -1.629 -11.611 1.00 0.00 H new ATOM 839 N GLN A 55 0.027 -3.777 -6.198 1.00 0.00 N ATOM 840 CA GLN A 55 -1.398 -3.539 -6.044 1.00 0.00 C ATOM 841 C GLN A 55 -1.669 -2.750 -4.762 1.00 0.00 C ATOM 842 O GLN A 55 -2.404 -1.763 -4.780 1.00 0.00 O ATOM 843 CB GLN A 55 -2.177 -4.856 -6.053 1.00 0.00 C ATOM 844 CG GLN A 55 -2.055 -5.557 -7.408 1.00 0.00 C ATOM 845 CD GLN A 55 -3.100 -5.031 -8.394 1.00 0.00 C ATOM 846 OE1 GLN A 55 -2.827 -4.196 -9.241 1.00 0.00 O ATOM 847 NE2 GLN A 55 -4.308 -5.563 -8.237 1.00 0.00 N ATOM 0 H GLN A 55 0.280 -4.749 -6.376 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.742 -2.946 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.801 -5.510 -5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.227 -4.663 -5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.056 -5.400 -7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.181 -6.632 -7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.468 -6.258 -7.508 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.074 -5.277 -8.846 1.00 0.00 H new ATOM 856 N ARG A 56 -1.062 -3.213 -3.680 1.00 0.00 N ATOM 857 CA ARG A 56 -1.229 -2.562 -2.392 1.00 0.00 C ATOM 858 C ARG A 56 -1.029 -1.052 -2.530 1.00 0.00 C ATOM 859 O ARG A 56 -1.932 -0.273 -2.229 1.00 0.00 O ATOM 860 CB ARG A 56 -0.235 -3.110 -1.365 1.00 0.00 C ATOM 861 CG ARG A 56 -0.742 -2.888 0.061 1.00 0.00 C ATOM 862 CD ARG A 56 0.036 -3.747 1.060 1.00 0.00 C ATOM 863 NE ARG A 56 -0.699 -5.004 1.326 1.00 0.00 N ATOM 864 CZ ARG A 56 -1.850 -5.070 2.009 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.404 -3.953 2.499 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.447 -6.254 2.202 1.00 0.00 N ATOM 0 H ARG A 56 -0.453 -4.032 -3.668 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.242 -2.767 -2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.078 -4.175 -1.537 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.731 -2.621 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.643 -1.835 0.326 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.803 -3.132 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.027 -3.972 0.665 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.181 -3.197 1.990 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.305 -5.874 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.950 -3.052 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.280 -4.004 3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.025 -7.105 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.323 -6.305 2.722 1.00 0.00 H new ATOM 880 N LEU A 57 0.160 -0.684 -2.985 1.00 0.00 N ATOM 881 CA LEU A 57 0.490 0.720 -3.166 1.00 0.00 C ATOM 882 C LEU A 57 -0.445 1.327 -4.214 1.00 0.00 C ATOM 883 O LEU A 57 -1.052 2.371 -3.979 1.00 0.00 O ATOM 884 CB LEU A 57 1.974 0.882 -3.499 1.00 0.00 C ATOM 885 CG LEU A 57 2.424 2.292 -3.886 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.150 2.569 -5.365 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.781 3.342 -2.978 1.00 0.00 C ATOM 0 H LEU A 57 0.906 -1.333 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 57 0.333 1.272 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.557 0.560 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.218 0.206 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 57 3.502 2.357 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.479 3.578 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.693 1.849 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.082 2.478 -5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.118 4.335 -3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.696 3.285 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.070 3.155 -1.944 1.00 0.00 H new ATOM 899 N ARG A 58 -0.532 0.648 -5.348 1.00 0.00 N ATOM 900 CA ARG A 58 -1.383 1.108 -6.433 1.00 0.00 C ATOM 901 C ARG A 58 -2.752 1.525 -5.893 1.00 0.00 C ATOM 902 O ARG A 58 -3.441 2.342 -6.502 1.00 0.00 O ATOM 903 CB ARG A 58 -1.570 0.015 -7.487 1.00 0.00 C ATOM 904 CG ARG A 58 -1.071 0.483 -8.856 1.00 0.00 C ATOM 905 CD ARG A 58 -2.113 1.366 -9.547 1.00 0.00 C ATOM 906 NE ARG A 58 -2.134 1.081 -10.999 1.00 0.00 N ATOM 907 CZ ARG A 58 -2.468 -0.104 -11.527 1.00 0.00 C ATOM 908 NH1 ARG A 58 -2.809 -1.122 -10.726 1.00 0.00 N ATOM 909 NH2 ARG A 58 -2.459 -0.272 -12.857 1.00 0.00 N ATOM 0 H ARG A 58 -0.027 -0.217 -5.540 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.895 1.965 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.029 -0.882 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.624 -0.255 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.140 1.038 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.850 -0.382 -9.481 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.098 1.184 -9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.881 2.417 -9.378 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.878 1.834 -11.638 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.814 -0.995 -9.714 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.063 -2.024 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.198 0.503 -13.467 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.713 -1.174 -13.259 1.00 0.00 H new ATOM 923 N LYS A 59 -3.106 0.946 -4.755 1.00 0.00 N ATOM 924 CA LYS A 59 -4.380 1.248 -4.126 1.00 0.00 C ATOM 925 C LYS A 59 -4.193 2.393 -3.128 1.00 0.00 C ATOM 926 O LYS A 59 -5.076 3.235 -2.971 1.00 0.00 O ATOM 927 CB LYS A 59 -4.985 -0.014 -3.508 1.00 0.00 C ATOM 928 CG LYS A 59 -6.478 -0.120 -3.827 1.00 0.00 C ATOM 929 CD LYS A 59 -7.090 -1.364 -3.180 1.00 0.00 C ATOM 930 CE LYS A 59 -8.610 -1.380 -3.353 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.239 -2.237 -2.323 1.00 0.00 N ATOM 0 H LYS A 59 -2.532 0.269 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.101 1.588 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.465 -0.894 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.841 0.001 -2.428 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.994 0.771 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.621 -0.160 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.660 -2.260 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.841 -1.387 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.001 -0.365 -3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.865 -1.748 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.271 -2.237 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.878 -3.208 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.010 -1.868 -1.378 1.00 0.00 H new ATOM 945 N ILE A 60 -3.038 2.386 -2.479 1.00 0.00 N ATOM 946 CA ILE A 60 -2.724 3.413 -1.500 1.00 0.00 C ATOM 947 C ILE A 60 -2.721 4.781 -2.186 1.00 0.00 C ATOM 948 O ILE A 60 -3.289 5.741 -1.666 1.00 0.00 O ATOM 949 CB ILE A 60 -1.415 3.084 -0.779 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.588 1.879 0.148 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.877 4.308 -0.034 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.301 1.597 0.925 1.00 0.00 C ATOM 0 H ILE A 60 -2.308 1.686 -2.612 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.489 3.446 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.672 2.810 -1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.405 2.066 0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.863 1.002 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.054 4.047 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.692 5.114 -0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.609 4.636 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.451 0.736 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.508 1.386 0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.042 2.467 1.528 1.00 0.00 H new ATOM 964 N GLU A 61 -2.076 4.826 -3.342 1.00 0.00 N ATOM 965 CA GLU A 61 -1.992 6.061 -4.104 1.00 0.00 C ATOM 966 C GLU A 61 -3.391 6.631 -4.346 1.00 0.00 C ATOM 967 O GLU A 61 -3.554 7.841 -4.502 1.00 0.00 O ATOM 968 CB GLU A 61 -1.254 5.840 -5.426 1.00 0.00 C ATOM 969 CG GLU A 61 0.210 5.469 -5.181 1.00 0.00 C ATOM 970 CD GLU A 61 1.018 6.691 -4.738 1.00 0.00 C ATOM 971 OE1 GLU A 61 1.488 7.418 -5.639 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.146 6.870 -3.507 1.00 0.00 O ATOM 0 H GLU A 61 -1.607 4.028 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.421 6.786 -3.523 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.744 5.048 -5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.307 6.744 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.270 4.693 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.641 5.054 -6.092 1.00 0.00 H new ATOM 979 N ILE A 62 -4.366 5.734 -4.370 1.00 0.00 N ATOM 980 CA ILE A 62 -5.745 6.133 -4.590 1.00 0.00 C ATOM 981 C ILE A 62 -6.306 6.747 -3.305 1.00 0.00 C ATOM 982 O ILE A 62 -6.741 7.897 -3.301 1.00 0.00 O ATOM 983 CB ILE A 62 -6.567 4.955 -5.117 1.00 0.00 C ATOM 984 CG1 ILE A 62 -5.957 4.395 -6.405 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.034 5.348 -5.301 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.698 3.135 -6.859 1.00 0.00 C ATOM 0 H ILE A 62 -4.228 4.732 -4.241 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.800 6.901 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.539 4.158 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.000 5.150 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.904 4.164 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.596 4.493 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.449 5.663 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.104 6.169 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.245 2.757 -7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.632 2.374 -6.081 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.745 3.375 -7.044 1.00 0.00 H new ATOM 998 N LEU A 63 -6.276 5.952 -2.246 1.00 0.00 N ATOM 999 CA LEU A 63 -6.775 6.402 -0.958 1.00 0.00 C ATOM 1000 C LEU A 63 -6.087 7.715 -0.579 1.00 0.00 C ATOM 1001 O LEU A 63 -6.734 8.758 -0.497 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.619 5.301 0.093 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.252 3.951 -0.251 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -6.400 2.795 0.276 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.694 3.878 0.256 1.00 0.00 C ATOM 0 H LEU A 63 -5.914 4.999 -2.254 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.844 6.606 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.555 5.146 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.052 5.655 1.029 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.286 3.856 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.873 1.847 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.408 2.840 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.311 2.873 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.121 2.909 -0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.706 4.004 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.283 4.669 -0.208 1.00 0.00 H new ATOM 1017 N THR A 64 -4.784 7.621 -0.359 1.00 0.00 N ATOM 1018 CA THR A 64 -4.001 8.788 0.008 1.00 0.00 C ATOM 1019 C THR A 64 -2.955 9.090 -1.068 1.00 0.00 C ATOM 1020 O THR A 64 -1.850 8.552 -1.032 1.00 0.00 O ATOM 1021 CB THR A 64 -3.395 8.535 1.390 1.00 0.00 C ATOM 1022 OG1 THR A 64 -4.406 7.810 2.085 1.00 0.00 O ATOM 1023 CG2 THR A 64 -3.233 9.821 2.203 1.00 0.00 C ATOM 0 H THR A 64 -4.251 6.754 -0.428 1.00 0.00 H new ATOM 0 HA THR A 64 -4.625 9.679 0.069 1.00 0.00 H new ATOM 0 HB THR A 64 -2.424 8.052 1.277 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.096 7.603 2.991 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.799 9.585 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.576 10.508 1.670 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.208 10.287 2.345 1.00 0.00 H new ATOM 1031 N PRO A 65 -3.353 9.971 -2.024 1.00 0.00 N ATOM 1032 CA PRO A 65 -2.463 10.350 -3.109 1.00 0.00 C ATOM 1033 C PRO A 65 -1.382 11.316 -2.619 1.00 0.00 C ATOM 1034 O PRO A 65 -0.201 11.130 -2.906 1.00 0.00 O ATOM 1035 CB PRO A 65 -3.369 10.959 -4.166 1.00 0.00 C ATOM 1036 CG PRO A 65 -4.660 11.323 -3.450 1.00 0.00 C ATOM 1037 CD PRO A 65 -4.655 10.627 -2.099 1.00 0.00 C ATOM 0 HA PRO A 65 -1.911 9.503 -3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.909 11.840 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -3.557 10.252 -4.974 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -4.735 12.403 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -5.524 11.011 -4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.786 11.341 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.467 9.904 -2.023 1.00 0.00 H new ATOM 1045 N GLU A 66 -1.826 12.328 -1.887 1.00 0.00 N ATOM 1046 CA GLU A 66 -0.911 13.323 -1.354 1.00 0.00 C ATOM 1047 C GLU A 66 -1.589 14.126 -0.242 1.00 0.00 C ATOM 1048 O GLU A 66 -2.054 15.242 -0.471 1.00 0.00 O ATOM 1049 CB GLU A 66 -0.399 14.246 -2.462 1.00 0.00 C ATOM 1050 CG GLU A 66 1.074 13.971 -2.767 1.00 0.00 C ATOM 1051 CD GLU A 66 1.583 14.885 -3.884 1.00 0.00 C ATOM 1052 OE1 GLU A 66 1.303 16.100 -3.795 1.00 0.00 O ATOM 1053 OE2 GLU A 66 2.240 14.348 -4.802 1.00 0.00 O ATOM 0 H GLU A 66 -2.807 12.480 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.050 12.806 -0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.994 14.102 -3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.524 15.286 -2.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.670 14.124 -1.867 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.200 12.929 -3.059 1.00 0.00 H new ATOM 1060 N VAL A 67 -1.625 13.526 0.939 1.00 0.00 N ATOM 1061 CA VAL A 67 -2.239 14.171 2.088 1.00 0.00 C ATOM 1062 C VAL A 67 -3.525 14.872 1.646 1.00 0.00 C ATOM 1063 O VAL A 67 -3.509 16.056 1.312 1.00 0.00 O ATOM 1064 CB VAL A 67 -1.239 15.120 2.751 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -1.862 15.811 3.966 1.00 0.00 C ATOM 1066 CG2 VAL A 67 0.044 14.381 3.138 1.00 0.00 C ATOM 0 H VAL A 67 -1.239 12.600 1.125 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.513 13.432 2.840 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.976 15.890 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.130 16.480 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.733 16.386 3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.167 15.060 4.695 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.738 15.078 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.194 13.580 3.838 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.503 13.958 2.245 1.00 0.00 H new ATOM 1076 N ASN A 68 -4.610 14.111 1.660 1.00 0.00 N ATOM 1077 CA ASN A 68 -5.903 14.644 1.265 1.00 0.00 C ATOM 1078 C ASN A 68 -7.009 13.725 1.786 1.00 0.00 C ATOM 1079 O ASN A 68 -7.421 12.791 1.098 1.00 0.00 O ATOM 1080 CB ASN A 68 -6.027 14.717 -0.258 1.00 0.00 C ATOM 1081 CG ASN A 68 -6.804 15.964 -0.686 1.00 0.00 C ATOM 1082 OD1 ASN A 68 -6.358 17.089 -0.531 1.00 0.00 O ATOM 1083 ND2 ASN A 68 -7.988 15.703 -1.231 1.00 0.00 N ATOM 0 H ASN A 68 -4.620 13.130 1.939 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.996 15.647 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.034 14.731 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.532 13.825 -0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.583 16.468 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.302 14.738 -1.331 1.00 0.00 H new ATOM 1090 N LYS A 69 -7.460 14.021 2.996 1.00 0.00 N ATOM 1091 CA LYS A 69 -8.511 13.233 3.617 1.00 0.00 C ATOM 1092 C LYS A 69 -9.632 12.996 2.603 1.00 0.00 C ATOM 1093 O LYS A 69 -9.959 13.883 1.816 1.00 0.00 O ATOM 1094 CB LYS A 69 -8.983 13.895 4.913 1.00 0.00 C ATOM 1095 CG LYS A 69 -9.726 15.201 4.622 1.00 0.00 C ATOM 1096 CD LYS A 69 -8.916 16.409 5.098 1.00 0.00 C ATOM 1097 CE LYS A 69 -9.331 17.677 4.347 1.00 0.00 C ATOM 1098 NZ LYS A 69 -10.209 18.516 5.194 1.00 0.00 N ATOM 0 H LYS A 69 -7.117 14.796 3.563 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.131 12.253 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.637 13.213 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.126 14.095 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.916 15.285 3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.696 15.190 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.063 16.551 6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.853 16.222 4.944 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.445 18.243 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.851 17.409 3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.482 19.372 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.063 17.979 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.700 18.787 6.060 1.00 0.00 H new ATOM 1112 N GLY A 70 -10.190 11.796 2.654 1.00 0.00 N ATOM 1113 CA GLY A 70 -11.267 11.431 1.750 1.00 0.00 C ATOM 1114 C GLY A 70 -11.209 9.943 1.399 1.00 0.00 C ATOM 1115 O GLY A 70 -10.126 9.374 1.271 1.00 0.00 O ATOM 0 H GLY A 70 -9.916 11.063 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.227 11.662 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.199 12.026 0.839 1.00 0.00 H new ATOM 1119 N SER A 71 -12.387 9.356 1.253 1.00 0.00 N ATOM 1120 CA SER A 71 -12.484 7.945 0.919 1.00 0.00 C ATOM 1121 C SER A 71 -12.709 7.778 -0.585 1.00 0.00 C ATOM 1122 O SER A 71 -13.728 8.217 -1.117 1.00 0.00 O ATOM 1123 CB SER A 71 -13.611 7.269 1.702 1.00 0.00 C ATOM 1124 OG SER A 71 -13.133 6.641 2.889 1.00 0.00 O ATOM 0 H SER A 71 -13.283 9.832 1.360 1.00 0.00 H new ATOM 0 HA SER A 71 -11.546 7.463 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.367 8.010 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.098 6.527 1.069 1.00 0.00 H new ATOM 0 HG SER A 71 -13.882 6.222 3.362 1.00 0.00 H new ATOM 1130 N GLY A 72 -11.742 7.142 -1.229 1.00 0.00 N ATOM 1131 CA GLY A 72 -11.822 6.911 -2.662 1.00 0.00 C ATOM 1132 C GLY A 72 -13.138 6.225 -3.034 1.00 0.00 C ATOM 1133 O GLY A 72 -13.760 5.572 -2.197 1.00 0.00 O ATOM 0 H GLY A 72 -10.898 6.779 -0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.740 7.860 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.983 6.293 -2.982 1.00 0.00 H new ATOM 1137 N PRO A 73 -13.533 6.402 -4.323 1.00 0.00 N ATOM 1138 CA PRO A 73 -14.764 5.807 -4.816 1.00 0.00 C ATOM 1139 C PRO A 73 -14.596 4.303 -5.037 1.00 0.00 C ATOM 1140 O PRO A 73 -13.486 3.780 -4.956 1.00 0.00 O ATOM 1141 CB PRO A 73 -15.081 6.564 -6.096 1.00 0.00 C ATOM 1142 CG PRO A 73 -13.782 7.231 -6.518 1.00 0.00 C ATOM 1143 CD PRO A 73 -12.822 7.169 -5.342 1.00 0.00 C ATOM 0 HA PRO A 73 -15.586 5.891 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.442 5.888 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.864 7.304 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.357 6.725 -7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.962 8.266 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.886 6.685 -5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.571 8.167 -4.983 1.00 0.00 H new ATOM 1151 N SER A 74 -15.715 3.649 -5.312 1.00 0.00 N ATOM 1152 CA SER A 74 -15.706 2.215 -5.546 1.00 0.00 C ATOM 1153 C SER A 74 -15.530 1.929 -7.038 1.00 0.00 C ATOM 1154 O SER A 74 -16.508 1.698 -7.749 1.00 0.00 O ATOM 1155 CB SER A 74 -16.990 1.564 -5.028 1.00 0.00 C ATOM 1156 OG SER A 74 -18.157 2.209 -5.533 1.00 0.00 O ATOM 0 H SER A 74 -16.634 4.086 -5.378 1.00 0.00 H new ATOM 0 HA SER A 74 -14.867 1.785 -4.999 1.00 0.00 H new ATOM 0 HB2 SER A 74 -17.004 0.512 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 74 -17.000 1.598 -3.939 1.00 0.00 H new ATOM 0 HG SER A 74 -18.089 2.292 -6.507 1.00 0.00 H new ATOM 1162 N SER A 75 -14.278 1.952 -7.470 1.00 0.00 N ATOM 1163 CA SER A 75 -13.962 1.698 -8.865 1.00 0.00 C ATOM 1164 C SER A 75 -14.530 2.815 -9.742 1.00 0.00 C ATOM 1165 O SER A 75 -15.531 3.437 -9.390 1.00 0.00 O ATOM 1166 CB SER A 75 -14.507 0.341 -9.315 1.00 0.00 C ATOM 1167 OG SER A 75 -14.130 0.032 -10.654 1.00 0.00 O ATOM 0 H SER A 75 -13.470 2.143 -6.878 1.00 0.00 H new ATOM 0 HA SER A 75 -12.877 1.677 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 75 -14.140 -0.437 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 75 -15.594 0.342 -9.236 1.00 0.00 H new ATOM 0 HG SER A 75 -14.496 -0.842 -10.903 1.00 0.00 H new ATOM 1173 N GLY A 76 -13.866 3.037 -10.867 1.00 0.00 N ATOM 1174 CA GLY A 76 -14.292 4.068 -11.797 1.00 0.00 C ATOM 1175 C GLY A 76 -15.450 3.576 -12.669 1.00 0.00 C ATOM 1176 O GLY A 76 -15.866 2.424 -12.561 1.00 0.00 O ATOM 0 H GLY A 76 -13.035 2.520 -11.155 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.600 4.956 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.454 4.360 -12.430 1.00 0.00 H new TER 1180 GLY A 76