USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 919 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 67 TYR OH : rot 30:sc= 1.82 USER MOD Set 1.2: A 103 CYS SG : rot -48:sc= -1.08! USER MOD Set 2.1: A 43 SER OG : rot -114:sc= 1.53 USER MOD Set 2.2: A 45 SER OG : rot -78:sc= 0.338 USER MOD Set 2.3: A 46 ASN : amide:sc= -12.3! C(o=-10!,f=-11!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -157:sc= 1.01 (180deg=-0.000784) USER MOD Set 3.2: A 107 THR OG1 : rot -130:sc= 0.841 USER MOD Set 4.1: A 13 LYS NZ :NH3+ 153:sc= -2.22! (180deg=-1.11) USER MOD Set 4.2: A 27 GLN : amide:sc= -0.76 K(o=-3.5,f=-5.7) USER MOD Set 4.3: A 32 MET CE :methyl 163:sc= -0.116 (180deg=-0.815) USER MOD Set 4.4: A 110 CYS SG : rot -65:sc= -0.372 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0749 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.366 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -46:sc= 0.834 USER MOD Single : A 20 SER OG : rot 160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc=-0.00479 (180deg=-0.0752) USER MOD Single : A 33 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.1) USER MOD Single : A 37 SER OG : rot -64:sc= 1.17 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 71:sc= 0.0395 USER MOD Single : A 53 SER OG : rot -149:sc= 0.238 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= -3.39 (180deg=-6.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 59 THR OG1 : rot -28:sc= 0.792 USER MOD Single : A 60 GLN : amide:sc= 0.389 X(o=0.39,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -1.67 (180deg=-4.51!) USER MOD Single : A 66 HIS : no HD1:sc= 0.03 K(o=0.03,f=-1.8) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= -0.204 (180deg=-0.7) USER MOD Single : A 71 SER OG : rot 130:sc= -0.611 USER MOD Single : A 74 ASN : amide:sc= -0.284 X(o=-0.28,f=-0.26) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 170:sc= -0.0017 USER MOD Single : A 84 THR OG1 : rot -45:sc= 0.00332 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.51 F(o=-3.6,f=-2.5) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.92 F(o=-1.4,f=-0.92) USER MOD Single : A 94 HIS : no HE2:sc= 0.769 K(o=0.77,f=-2.7!) USER MOD Single : A 95 TYR OH : rot 130:sc= 0 USER MOD Single : A 96 SER OG : rot 75:sc= 1.33 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -159:sc= 0.417 (180deg=-0.442) USER MOD Single : A 104 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.94) USER MOD Single : A 105 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.21) USER MOD Single : A 112 ASN : amide:sc= -0.0532 K(o=-0.053,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.213 17.291 -17.946 1.00 0.00 N ATOM 2 CA GLY A 1 -18.300 16.600 -18.630 1.00 0.00 C ATOM 3 C GLY A 1 -18.589 15.228 -18.021 1.00 0.00 C ATOM 4 O GLY A 1 -17.937 14.804 -17.076 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.550 18.212 -17.601 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.889 16.717 -17.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.424 17.437 -18.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.201 17.212 -18.586 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.046 16.481 -19.683 1.00 0.00 H new ATOM 10 N SER A 2 -19.603 14.574 -18.624 1.00 0.00 N ATOM 11 CA SER A 2 -20.022 13.247 -18.180 1.00 0.00 C ATOM 12 C SER A 2 -20.752 12.565 -19.355 1.00 0.00 C ATOM 13 O SER A 2 -20.236 12.549 -20.465 1.00 0.00 O ATOM 14 CB SER A 2 -20.892 13.394 -16.889 1.00 0.00 C ATOM 15 OG SER A 2 -21.561 12.220 -16.272 1.00 0.00 O ATOM 0 H SER A 2 -20.136 14.946 -19.410 1.00 0.00 H new ATOM 0 HA SER A 2 -19.179 12.611 -17.908 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.253 13.834 -16.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.671 14.123 -17.112 1.00 0.00 H new ATOM 0 HG SER A 2 -22.056 12.506 -15.476 1.00 0.00 H new ATOM 21 N VAL A 3 -21.956 12.016 -19.058 1.00 0.00 N ATOM 22 CA VAL A 3 -22.827 11.330 -20.020 1.00 0.00 C ATOM 23 C VAL A 3 -22.044 10.397 -20.970 1.00 0.00 C ATOM 24 O VAL A 3 -22.141 10.460 -22.189 1.00 0.00 O ATOM 25 CB VAL A 3 -23.752 12.344 -20.720 1.00 0.00 C ATOM 26 CG1 VAL A 3 -24.640 13.051 -19.685 1.00 0.00 C ATOM 27 CG2 VAL A 3 -22.999 13.391 -21.560 1.00 0.00 C ATOM 0 H VAL A 3 -22.350 12.044 -18.117 1.00 0.00 H new ATOM 0 HA VAL A 3 -23.481 10.647 -19.478 1.00 0.00 H new ATOM 0 HB VAL A 3 -24.363 11.768 -21.415 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -25.290 13.765 -20.190 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.249 12.313 -19.163 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.012 13.577 -18.966 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -23.715 14.070 -22.022 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -22.325 13.957 -20.917 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -22.423 12.888 -22.337 1.00 0.00 H new ATOM 37 N ALA A 4 -21.271 9.524 -20.293 1.00 0.00 N ATOM 38 CA ALA A 4 -20.428 8.547 -20.966 1.00 0.00 C ATOM 39 C ALA A 4 -20.093 7.392 -19.993 1.00 0.00 C ATOM 40 O ALA A 4 -20.469 6.257 -20.256 1.00 0.00 O ATOM 41 CB ALA A 4 -19.203 9.223 -21.605 1.00 0.00 C ATOM 0 H ALA A 4 -21.222 9.485 -19.275 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.964 8.097 -21.802 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -18.590 8.471 -22.101 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.534 9.961 -22.336 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -18.615 9.717 -20.831 1.00 0.00 H new ATOM 47 N PRO A 5 -19.383 7.677 -18.853 1.00 0.00 N ATOM 48 CA PRO A 5 -19.059 6.616 -17.891 1.00 0.00 C ATOM 49 C PRO A 5 -20.307 6.040 -17.190 1.00 0.00 C ATOM 50 O PRO A 5 -21.022 6.726 -16.470 1.00 0.00 O ATOM 51 CB PRO A 5 -18.147 7.299 -16.858 1.00 0.00 C ATOM 52 CG PRO A 5 -18.435 8.793 -17.006 1.00 0.00 C ATOM 53 CD PRO A 5 -18.808 8.971 -18.474 1.00 0.00 C ATOM 0 HA PRO A 5 -18.593 5.769 -18.394 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.366 6.953 -15.848 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.097 7.078 -17.051 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -19.247 9.107 -16.350 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.563 9.392 -16.743 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -19.525 9.781 -18.608 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.936 9.213 -19.081 1.00 0.00 H new ATOM 61 N VAL A 6 -20.498 4.734 -17.460 1.00 0.00 N ATOM 62 CA VAL A 6 -21.606 3.964 -16.906 1.00 0.00 C ATOM 63 C VAL A 6 -21.096 3.177 -15.684 1.00 0.00 C ATOM 64 O VAL A 6 -20.142 2.416 -15.776 1.00 0.00 O ATOM 65 CB VAL A 6 -22.163 3.028 -17.995 1.00 0.00 C ATOM 66 CG1 VAL A 6 -21.123 2.041 -18.551 1.00 0.00 C ATOM 67 CG2 VAL A 6 -23.414 2.283 -17.505 1.00 0.00 C ATOM 0 H VAL A 6 -19.884 4.193 -18.069 1.00 0.00 H new ATOM 0 HA VAL A 6 -22.414 4.619 -16.581 1.00 0.00 H new ATOM 0 HB VAL A 6 -22.442 3.677 -18.825 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -21.587 1.415 -19.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -20.295 2.595 -18.992 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -20.749 1.412 -17.743 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -23.783 1.631 -18.297 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -23.161 1.684 -16.630 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -24.187 3.005 -17.240 1.00 0.00 H new ATOM 77 N GLU A 7 -21.776 3.433 -14.542 1.00 0.00 N ATOM 78 CA GLU A 7 -21.482 2.805 -13.245 1.00 0.00 C ATOM 79 C GLU A 7 -19.985 2.838 -12.842 1.00 0.00 C ATOM 80 O GLU A 7 -19.499 2.009 -12.081 1.00 0.00 O ATOM 81 CB GLU A 7 -22.072 1.383 -13.174 1.00 0.00 C ATOM 82 CG GLU A 7 -21.438 0.367 -14.144 1.00 0.00 C ATOM 83 CD GLU A 7 -21.958 -1.050 -13.871 1.00 0.00 C ATOM 84 OE1 GLU A 7 -23.003 -1.407 -14.415 1.00 0.00 O ATOM 85 OE2 GLU A 7 -21.314 -1.782 -13.119 1.00 0.00 O ATOM 0 H GLU A 7 -22.554 4.092 -14.502 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.979 3.422 -12.496 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -21.960 1.010 -12.156 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.141 1.439 -13.377 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.664 0.650 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.353 0.387 -14.040 1.00 0.00 H new ATOM 92 N THR A 8 -19.304 3.859 -13.398 1.00 0.00 N ATOM 93 CA THR A 8 -17.880 4.072 -13.180 1.00 0.00 C ATOM 94 C THR A 8 -17.632 5.087 -12.051 1.00 0.00 C ATOM 95 O THR A 8 -18.266 6.133 -11.976 1.00 0.00 O ATOM 96 CB THR A 8 -17.280 4.539 -14.545 1.00 0.00 C ATOM 97 OG1 THR A 8 -18.079 4.346 -15.761 1.00 0.00 O ATOM 98 CG2 THR A 8 -15.843 3.982 -14.690 1.00 0.00 C ATOM 0 H THR A 8 -19.735 4.553 -14.009 1.00 0.00 H new ATOM 0 HA THR A 8 -17.391 3.154 -12.853 1.00 0.00 H new ATOM 0 HB THR A 8 -17.280 5.627 -14.478 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.583 4.684 -16.536 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.421 4.306 -15.642 1.00 0.00 H new ATOM 0 HG22 THR A 8 -15.224 4.354 -13.873 1.00 0.00 H new ATOM 0 HG23 THR A 8 -15.870 2.893 -14.657 1.00 0.00 H new ATOM 106 N LEU A 9 -16.678 4.694 -11.185 1.00 0.00 N ATOM 107 CA LEU A 9 -16.303 5.515 -10.040 1.00 0.00 C ATOM 108 C LEU A 9 -14.784 5.336 -9.850 1.00 0.00 C ATOM 109 O LEU A 9 -14.047 5.210 -10.819 1.00 0.00 O ATOM 110 CB LEU A 9 -17.170 5.071 -8.834 1.00 0.00 C ATOM 111 CG LEU A 9 -17.673 6.208 -7.926 1.00 0.00 C ATOM 112 CD1 LEU A 9 -18.658 5.665 -6.885 1.00 0.00 C ATOM 113 CD2 LEU A 9 -16.550 6.981 -7.220 1.00 0.00 C ATOM 0 H LEU A 9 -16.162 3.818 -11.264 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.490 6.581 -10.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -18.033 4.522 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.590 4.375 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 9 -18.173 6.917 -8.587 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -19.004 6.481 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.510 5.213 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -18.161 4.914 -6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.983 7.765 -6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.976 6.298 -6.594 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.893 7.429 -7.965 1.00 0.00 H new ATOM 125 N GLU A 10 -14.374 5.319 -8.568 1.00 0.00 N ATOM 126 CA GLU A 10 -12.982 5.129 -8.187 1.00 0.00 C ATOM 127 C GLU A 10 -12.985 4.146 -7.009 1.00 0.00 C ATOM 128 O GLU A 10 -12.651 4.445 -5.869 1.00 0.00 O ATOM 129 CB GLU A 10 -12.297 6.473 -7.877 1.00 0.00 C ATOM 130 CG GLU A 10 -10.777 6.451 -8.129 1.00 0.00 C ATOM 131 CD GLU A 10 -10.041 5.397 -7.282 1.00 0.00 C ATOM 132 OE1 GLU A 10 -9.977 4.241 -7.706 1.00 0.00 O ATOM 133 OE2 GLU A 10 -9.537 5.746 -6.214 1.00 0.00 O ATOM 0 H GLU A 10 -15.006 5.437 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.391 4.711 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.749 7.254 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.483 6.737 -6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.592 6.254 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.364 7.436 -7.912 1.00 0.00 H new ATOM 140 N VAL A 11 -13.438 2.947 -7.414 1.00 0.00 N ATOM 141 CA VAL A 11 -13.555 1.785 -6.547 1.00 0.00 C ATOM 142 C VAL A 11 -12.779 0.616 -7.184 1.00 0.00 C ATOM 143 O VAL A 11 -13.059 -0.549 -6.934 1.00 0.00 O ATOM 144 CB VAL A 11 -15.050 1.448 -6.351 1.00 0.00 C ATOM 145 CG1 VAL A 11 -15.792 2.591 -5.644 1.00 0.00 C ATOM 146 CG2 VAL A 11 -15.760 1.098 -7.672 1.00 0.00 C ATOM 0 H VAL A 11 -13.736 2.766 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.128 1.983 -5.564 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.078 0.561 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.841 2.323 -5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.345 2.764 -4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.717 3.499 -6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.807 0.870 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.696 1.945 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.280 0.230 -8.124 1.00 0.00 H new ATOM 156 N GLU A 12 -11.799 1.035 -8.025 1.00 0.00 N ATOM 157 CA GLU A 12 -10.929 0.150 -8.786 1.00 0.00 C ATOM 158 C GLU A 12 -9.961 -0.587 -7.837 1.00 0.00 C ATOM 159 O GLU A 12 -10.106 -0.560 -6.621 1.00 0.00 O ATOM 160 CB GLU A 12 -10.212 0.992 -9.869 1.00 0.00 C ATOM 161 CG GLU A 12 -11.198 1.736 -10.800 1.00 0.00 C ATOM 162 CD GLU A 12 -10.522 2.493 -11.971 1.00 0.00 C ATOM 163 OE1 GLU A 12 -9.294 2.482 -12.077 1.00 0.00 O ATOM 164 OE2 GLU A 12 -11.243 3.087 -12.777 1.00 0.00 O ATOM 0 H GLU A 12 -11.601 2.023 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.499 -0.629 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.559 1.718 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.576 0.340 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.907 1.016 -11.209 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.773 2.447 -10.207 1.00 0.00 H new ATOM 171 N LYS A 13 -8.965 -1.245 -8.468 1.00 0.00 N ATOM 172 CA LYS A 13 -7.981 -2.002 -7.704 1.00 0.00 C ATOM 173 C LYS A 13 -6.621 -1.312 -7.704 1.00 0.00 C ATOM 174 O LYS A 13 -5.828 -1.590 -6.810 1.00 0.00 O ATOM 175 CB LYS A 13 -7.828 -3.410 -8.286 1.00 0.00 C ATOM 176 CG LYS A 13 -8.969 -4.341 -7.865 1.00 0.00 C ATOM 177 CD LYS A 13 -8.968 -4.598 -6.357 1.00 0.00 C ATOM 178 CE LYS A 13 -9.191 -6.066 -6.005 1.00 0.00 C ATOM 179 NZ LYS A 13 -9.011 -6.306 -4.586 1.00 0.00 N ATOM 0 H LYS A 13 -8.832 -1.262 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.341 -2.061 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.794 -3.349 -9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.878 -3.834 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.923 -3.902 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.878 -5.289 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.017 -4.270 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.747 -3.995 -5.890 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.197 -6.363 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.496 -6.686 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.580 -7.128 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.007 -6.494 -4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.317 -5.468 -4.051 1.00 0.00 H new ATOM 193 N TRP A 14 -6.348 -0.417 -8.696 1.00 0.00 N ATOM 194 CA TRP A 14 -5.015 0.192 -8.643 1.00 0.00 C ATOM 195 C TRP A 14 -4.843 1.063 -7.387 1.00 0.00 C ATOM 196 O TRP A 14 -3.765 1.091 -6.814 1.00 0.00 O ATOM 197 CB TRP A 14 -4.428 0.734 -9.969 1.00 0.00 C ATOM 198 CG TRP A 14 -4.668 2.172 -10.414 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.285 2.514 -11.622 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.179 3.418 -9.855 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.189 3.850 -11.829 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.519 4.448 -10.774 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.505 3.748 -8.707 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.170 5.749 -10.512 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.168 5.073 -8.442 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.503 6.072 -9.346 1.00 0.00 C ATOM 0 H TRP A 14 -6.964 -0.133 -9.457 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.322 -0.639 -8.517 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.348 0.593 -9.919 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.797 0.089 -10.767 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.767 1.816 -12.291 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.556 4.343 -12.643 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.234 2.975 -8.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.418 6.525 -11.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.645 5.324 -7.531 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.243 7.099 -9.138 1.00 0.00 H new ATOM 217 N PHE A 15 -5.951 1.721 -6.960 1.00 0.00 N ATOM 218 CA PHE A 15 -5.891 2.580 -5.775 1.00 0.00 C ATOM 219 C PHE A 15 -6.731 2.018 -4.610 1.00 0.00 C ATOM 220 O PHE A 15 -7.898 1.689 -4.761 1.00 0.00 O ATOM 221 CB PHE A 15 -6.324 4.005 -6.151 1.00 0.00 C ATOM 222 CG PHE A 15 -5.869 5.015 -5.129 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.523 5.355 -5.040 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.777 5.625 -4.271 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.089 6.301 -4.120 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.348 6.572 -3.349 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.004 6.914 -3.276 1.00 0.00 C ATOM 0 H PHE A 15 -6.865 1.670 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.861 2.607 -5.421 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.913 4.264 -7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.410 4.043 -6.242 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.807 4.878 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.823 5.361 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.042 6.559 -4.062 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.061 7.043 -2.688 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.672 7.655 -2.564 1.00 0.00 H new ATOM 237 N PHE A 16 -6.042 1.949 -3.446 1.00 0.00 N ATOM 238 CA PHE A 16 -6.603 1.472 -2.179 1.00 0.00 C ATOM 239 C PHE A 16 -6.033 2.340 -1.049 1.00 0.00 C ATOM 240 O PHE A 16 -5.037 3.031 -1.219 1.00 0.00 O ATOM 241 CB PHE A 16 -6.190 -0.003 -1.904 1.00 0.00 C ATOM 242 CG PHE A 16 -7.097 -1.077 -2.455 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.378 -0.823 -2.945 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.644 -2.393 -2.430 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.188 -1.857 -3.385 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.452 -3.433 -2.869 1.00 0.00 C ATOM 247 CZ PHE A 16 -8.729 -3.161 -3.337 1.00 0.00 C ATOM 0 H PHE A 16 -5.065 2.230 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.690 1.532 -2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.192 -0.158 -2.313 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -6.117 -0.140 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.743 0.193 -2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.651 -2.608 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.177 -1.645 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.088 -4.449 -2.846 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.366 -3.969 -3.665 1.00 0.00 H new ATOM 257 N ARG A 17 -6.734 2.251 0.110 1.00 0.00 N ATOM 258 CA ARG A 17 -6.306 2.970 1.311 1.00 0.00 C ATOM 259 C ARG A 17 -4.930 2.456 1.752 1.00 0.00 C ATOM 260 O ARG A 17 -3.911 3.075 1.497 1.00 0.00 O ATOM 261 CB ARG A 17 -7.321 2.761 2.452 1.00 0.00 C ATOM 262 CG ARG A 17 -8.427 3.811 2.478 1.00 0.00 C ATOM 263 CD ARG A 17 -9.448 3.486 3.571 1.00 0.00 C ATOM 264 NE ARG A 17 -10.496 4.498 3.601 1.00 0.00 N ATOM 265 CZ ARG A 17 -11.547 4.407 4.443 1.00 0.00 C ATOM 266 NH1 ARG A 17 -11.666 3.383 5.279 1.00 0.00 N ATOM 267 NH2 ARG A 17 -12.476 5.353 4.438 1.00 0.00 N ATOM 0 H ARG A 17 -7.582 1.696 0.226 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.247 4.034 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.770 1.773 2.352 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.793 2.776 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.997 4.797 2.655 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.923 3.849 1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.886 2.505 3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.951 3.439 4.540 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.434 5.296 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.957 2.650 5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.466 3.329 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.394 6.145 3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.272 5.289 5.072 1.00 0.00 H new ATOM 281 N THR A 18 -4.995 1.295 2.428 1.00 0.00 N ATOM 282 CA THR A 18 -3.818 0.617 2.943 1.00 0.00 C ATOM 283 C THR A 18 -4.207 -0.795 3.376 1.00 0.00 C ATOM 284 O THR A 18 -4.350 -1.108 4.553 1.00 0.00 O ATOM 285 CB THR A 18 -3.116 1.324 4.150 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.282 0.482 5.016 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.098 2.241 4.933 1.00 0.00 C ATOM 0 H THR A 18 -5.870 0.810 2.626 1.00 0.00 H new ATOM 0 HA THR A 18 -3.098 0.624 2.125 1.00 0.00 H new ATOM 0 HB THR A 18 -2.368 1.961 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.766 -0.342 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.572 2.713 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.488 3.010 4.266 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.924 1.644 5.320 1.00 0.00 H new ATOM 295 N ILE A 19 -4.383 -1.630 2.335 1.00 0.00 N ATOM 296 CA ILE A 19 -4.680 -3.034 2.588 1.00 0.00 C ATOM 297 C ILE A 19 -3.335 -3.618 3.022 1.00 0.00 C ATOM 298 O ILE A 19 -2.300 -3.083 2.651 1.00 0.00 O ATOM 299 CB ILE A 19 -5.152 -3.682 1.284 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.038 -4.900 1.504 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.016 -3.980 0.310 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.368 -5.586 0.167 1.00 0.00 C ATOM 0 H ILE A 19 -4.326 -1.363 1.352 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.459 -3.193 3.334 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.776 -2.924 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.536 -5.606 2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.960 -4.599 2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.421 -4.438 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.508 -3.052 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.306 -4.663 0.777 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.002 -6.454 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.891 -4.884 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.445 -5.907 -0.315 1.00 0.00 H new ATOM 314 N SER A 20 -3.355 -4.714 3.792 1.00 0.00 N ATOM 315 CA SER A 20 -2.026 -5.197 4.192 1.00 0.00 C ATOM 316 C SER A 20 -1.319 -5.830 2.983 1.00 0.00 C ATOM 317 O SER A 20 -1.912 -6.176 1.973 1.00 0.00 O ATOM 318 CB SER A 20 -2.080 -6.191 5.390 1.00 0.00 C ATOM 319 OG SER A 20 -0.843 -6.799 5.963 1.00 0.00 O ATOM 0 H SER A 20 -4.170 -5.232 4.120 1.00 0.00 H new ATOM 0 HA SER A 20 -1.454 -4.336 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.585 -5.674 6.206 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.726 -7.015 5.087 1.00 0.00 H new ATOM 0 HG SER A 20 -1.027 -7.122 6.870 1.00 0.00 H new ATOM 325 N ARG A 21 0.001 -5.944 3.177 1.00 0.00 N ATOM 326 CA ARG A 21 0.903 -6.513 2.187 1.00 0.00 C ATOM 327 C ARG A 21 0.384 -7.868 1.663 1.00 0.00 C ATOM 328 O ARG A 21 0.244 -8.066 0.467 1.00 0.00 O ATOM 329 CB ARG A 21 2.310 -6.651 2.802 1.00 0.00 C ATOM 330 CG ARG A 21 3.411 -6.861 1.755 1.00 0.00 C ATOM 331 CD ARG A 21 4.807 -6.951 2.378 1.00 0.00 C ATOM 332 NE ARG A 21 4.902 -8.143 3.219 1.00 0.00 N ATOM 333 CZ ARG A 21 5.238 -8.153 4.528 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.529 -7.036 5.184 1.00 0.00 N ATOM 335 NH2 ARG A 21 5.270 -9.312 5.173 1.00 0.00 N ATOM 0 H ARG A 21 0.468 -5.641 4.031 1.00 0.00 H new ATOM 0 HA ARG A 21 0.954 -5.843 1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.535 -5.756 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.314 -7.490 3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.207 -7.775 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.389 -6.039 1.040 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.563 -6.988 1.594 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.008 -6.059 2.972 1.00 0.00 H new ATOM 0 HE ARG A 21 4.698 -9.042 2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.502 -6.139 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.779 -7.075 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.043 -10.176 4.681 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.521 -9.339 6.161 1.00 0.00 H new ATOM 349 N LYS A 22 0.058 -8.778 2.609 1.00 0.00 N ATOM 350 CA LYS A 22 -0.402 -10.094 2.153 1.00 0.00 C ATOM 351 C LYS A 22 -1.736 -10.071 1.401 1.00 0.00 C ATOM 352 O LYS A 22 -2.046 -10.977 0.641 1.00 0.00 O ATOM 353 CB LYS A 22 -0.509 -11.135 3.277 1.00 0.00 C ATOM 354 CG LYS A 22 -1.697 -10.992 4.240 1.00 0.00 C ATOM 355 CD LYS A 22 -1.600 -9.731 5.074 1.00 0.00 C ATOM 356 CE LYS A 22 -2.691 -9.593 6.143 1.00 0.00 C ATOM 357 NZ LYS A 22 -2.706 -10.688 7.109 1.00 0.00 N ATOM 0 H LYS A 22 0.101 -8.637 3.618 1.00 0.00 H new ATOM 0 HA LYS A 22 0.386 -10.388 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.558 -12.124 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.410 -11.099 3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.626 -10.980 3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.737 -11.860 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.625 -9.707 5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.647 -8.867 4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.549 -8.652 6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.663 -9.539 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.385 -10.473 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.987 -11.568 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.757 -10.804 7.517 1.00 0.00 H new ATOM 371 N ASP A 23 -2.502 -8.996 1.673 1.00 0.00 N ATOM 372 CA ASP A 23 -3.821 -8.868 1.088 1.00 0.00 C ATOM 373 C ASP A 23 -3.760 -8.416 -0.367 1.00 0.00 C ATOM 374 O ASP A 23 -4.425 -8.937 -1.249 1.00 0.00 O ATOM 375 CB ASP A 23 -4.652 -7.864 1.898 1.00 0.00 C ATOM 376 CG ASP A 23 -4.969 -8.339 3.323 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.080 -9.545 3.545 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.109 -7.489 4.199 1.00 0.00 O ATOM 0 H ASP A 23 -2.225 -8.227 2.283 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.288 -9.853 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.114 -6.918 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.587 -7.670 1.372 1.00 0.00 H new ATOM 383 N ALA A 24 -2.916 -7.409 -0.548 1.00 0.00 N ATOM 384 CA ALA A 24 -2.707 -6.830 -1.868 1.00 0.00 C ATOM 385 C ALA A 24 -2.084 -7.858 -2.817 1.00 0.00 C ATOM 386 O ALA A 24 -2.359 -7.908 -4.009 1.00 0.00 O ATOM 387 CB ALA A 24 -1.804 -5.624 -1.684 1.00 0.00 C ATOM 0 H ALA A 24 -2.368 -6.979 0.197 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.653 -6.528 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.620 -5.157 -2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.286 -4.906 -1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.857 -5.942 -1.248 1.00 0.00 H new ATOM 393 N GLU A 25 -1.255 -8.694 -2.169 1.00 0.00 N ATOM 394 CA GLU A 25 -0.558 -9.762 -2.841 1.00 0.00 C ATOM 395 C GLU A 25 -1.542 -10.899 -3.113 1.00 0.00 C ATOM 396 O GLU A 25 -1.388 -11.617 -4.086 1.00 0.00 O ATOM 397 CB GLU A 25 0.607 -10.205 -1.947 1.00 0.00 C ATOM 398 CG GLU A 25 1.870 -9.320 -2.023 1.00 0.00 C ATOM 399 CD GLU A 25 1.672 -7.790 -1.959 1.00 0.00 C ATOM 400 OE1 GLU A 25 0.932 -7.246 -2.770 1.00 0.00 O ATOM 401 OE2 GLU A 25 2.273 -7.151 -1.101 1.00 0.00 O ATOM 0 H GLU A 25 -1.061 -8.635 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.153 -9.440 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.262 -10.229 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.882 -11.225 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.532 -9.608 -1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.389 -9.554 -2.952 1.00 0.00 H new ATOM 408 N ARG A 26 -2.582 -11.021 -2.246 1.00 0.00 N ATOM 409 CA ARG A 26 -3.554 -12.094 -2.484 1.00 0.00 C ATOM 410 C ARG A 26 -4.329 -11.782 -3.776 1.00 0.00 C ATOM 411 O ARG A 26 -4.761 -12.659 -4.512 1.00 0.00 O ATOM 412 CB ARG A 26 -4.547 -12.263 -1.297 1.00 0.00 C ATOM 413 CG ARG A 26 -5.886 -11.468 -1.300 1.00 0.00 C ATOM 414 CD ARG A 26 -6.358 -10.920 0.058 1.00 0.00 C ATOM 415 NE ARG A 26 -7.814 -10.975 0.158 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.466 -10.580 1.274 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.805 -10.142 2.339 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.789 -10.624 1.313 1.00 0.00 N ATOM 0 H ARG A 26 -2.755 -10.430 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.009 -13.033 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.796 -13.322 -1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.013 -12.000 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.785 -10.630 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.667 -12.116 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.911 -11.500 0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.019 -9.891 0.179 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.353 -11.321 -0.636 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.786 -10.099 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.316 -9.849 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.312 -10.955 0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.285 -10.327 2.153 1.00 0.00 H new ATOM 432 N GLN A 27 -4.444 -10.450 -3.981 1.00 0.00 N ATOM 433 CA GLN A 27 -5.165 -9.924 -5.130 1.00 0.00 C ATOM 434 C GLN A 27 -4.403 -10.083 -6.446 1.00 0.00 C ATOM 435 O GLN A 27 -4.955 -10.558 -7.431 1.00 0.00 O ATOM 436 CB GLN A 27 -5.570 -8.463 -4.920 1.00 0.00 C ATOM 437 CG GLN A 27 -6.532 -8.344 -3.740 1.00 0.00 C ATOM 438 CD GLN A 27 -7.853 -9.082 -3.971 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.394 -9.103 -5.066 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.338 -9.676 -2.874 1.00 0.00 N ATOM 0 H GLN A 27 -4.047 -9.739 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.068 -10.529 -5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.684 -7.855 -4.738 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.042 -8.076 -5.823 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.052 -8.740 -2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.738 -7.291 -3.551 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.828 -9.614 -1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.218 -10.190 -2.919 1.00 0.00 H new ATOM 449 N LEU A 28 -3.110 -9.677 -6.419 1.00 0.00 N ATOM 450 CA LEU A 28 -2.357 -9.766 -7.665 1.00 0.00 C ATOM 451 C LEU A 28 -1.936 -11.205 -7.983 1.00 0.00 C ATOM 452 O LEU A 28 -1.968 -11.594 -9.142 1.00 0.00 O ATOM 453 CB LEU A 28 -1.270 -8.688 -7.711 1.00 0.00 C ATOM 454 CG LEU A 28 -1.897 -7.305 -7.523 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.793 -6.288 -7.282 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.748 -6.912 -8.737 1.00 0.00 C ATOM 0 H LEU A 28 -2.609 -9.313 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.000 -9.527 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.532 -8.871 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.743 -8.731 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.561 -7.329 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.232 -5.299 -7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.235 -6.562 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.120 -6.272 -8.139 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.180 -5.925 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.122 -6.891 -9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.548 -7.640 -8.872 1.00 0.00 H new ATOM 468 N LEU A 29 -1.609 -11.999 -6.932 1.00 0.00 N ATOM 469 CA LEU A 29 -1.228 -13.390 -7.168 1.00 0.00 C ATOM 470 C LEU A 29 -2.433 -14.228 -7.650 1.00 0.00 C ATOM 471 O LEU A 29 -2.267 -15.356 -8.097 1.00 0.00 O ATOM 472 CB LEU A 29 -0.642 -13.998 -5.892 1.00 0.00 C ATOM 473 CG LEU A 29 0.691 -13.357 -5.479 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.965 -13.658 -4.009 1.00 0.00 C ATOM 475 CD2 LEU A 29 1.845 -13.847 -6.370 1.00 0.00 C ATOM 0 H LEU A 29 -1.604 -11.704 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.472 -13.404 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.360 -13.886 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.494 -15.068 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 29 0.619 -12.278 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.911 -13.203 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.160 -13.249 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.020 -14.737 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.775 -13.375 -6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.938 -14.929 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.640 -13.584 -7.408 1.00 0.00 H new ATOM 487 N ALA A 30 -3.642 -13.631 -7.541 1.00 0.00 N ATOM 488 CA ALA A 30 -4.854 -14.302 -7.991 1.00 0.00 C ATOM 489 C ALA A 30 -4.773 -14.549 -9.515 1.00 0.00 C ATOM 490 O ALA A 30 -4.137 -13.801 -10.249 1.00 0.00 O ATOM 491 CB ALA A 30 -6.060 -13.402 -7.697 1.00 0.00 C ATOM 0 H ALA A 30 -3.790 -12.701 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.959 -15.254 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.973 -13.896 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.120 -13.213 -6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.945 -12.456 -8.226 1.00 0.00 H new ATOM 497 N PRO A 31 -5.465 -15.632 -9.967 1.00 0.00 N ATOM 498 CA PRO A 31 -5.505 -16.008 -11.382 1.00 0.00 C ATOM 499 C PRO A 31 -6.317 -15.049 -12.282 1.00 0.00 C ATOM 500 O PRO A 31 -6.498 -15.287 -13.470 1.00 0.00 O ATOM 501 CB PRO A 31 -6.141 -17.406 -11.371 1.00 0.00 C ATOM 502 CG PRO A 31 -6.954 -17.441 -10.077 1.00 0.00 C ATOM 503 CD PRO A 31 -6.179 -16.569 -9.108 1.00 0.00 C ATOM 0 HA PRO A 31 -4.504 -15.972 -11.811 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.775 -17.561 -12.244 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.382 -18.188 -11.385 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.963 -17.059 -10.233 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.054 -18.459 -9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.845 -16.050 -8.418 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.491 -17.159 -8.503 1.00 0.00 H new ATOM 511 N MET A 32 -6.792 -13.961 -11.643 1.00 0.00 N ATOM 512 CA MET A 32 -7.581 -12.934 -12.271 1.00 0.00 C ATOM 513 C MET A 32 -6.780 -12.104 -13.299 1.00 0.00 C ATOM 514 O MET A 32 -7.298 -11.745 -14.350 1.00 0.00 O ATOM 515 CB MET A 32 -8.093 -12.078 -11.113 1.00 0.00 C ATOM 516 CG MET A 32 -9.015 -12.847 -10.152 1.00 0.00 C ATOM 517 SD MET A 32 -9.959 -11.754 -9.071 1.00 0.00 S ATOM 518 CE MET A 32 -8.701 -11.341 -7.851 1.00 0.00 C ATOM 0 H MET A 32 -6.622 -13.787 -10.652 1.00 0.00 H new ATOM 0 HA MET A 32 -8.394 -13.360 -12.859 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.242 -11.687 -10.555 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.632 -11.220 -11.515 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.704 -13.463 -10.730 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.416 -13.524 -9.544 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.011 -10.457 -7.293 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.572 -12.177 -7.164 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.757 -11.138 -8.356 1.00 0.00 H new ATOM 528 N ASN A 33 -5.501 -11.825 -12.937 1.00 0.00 N ATOM 529 CA ASN A 33 -4.616 -11.021 -13.792 1.00 0.00 C ATOM 530 C ASN A 33 -3.167 -11.591 -13.794 1.00 0.00 C ATOM 531 O ASN A 33 -2.945 -12.766 -13.533 1.00 0.00 O ATOM 532 CB ASN A 33 -4.672 -9.539 -13.357 1.00 0.00 C ATOM 533 CG ASN A 33 -6.084 -8.938 -13.380 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.942 -9.277 -12.576 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.258 -7.995 -14.319 1.00 0.00 N ATOM 0 H ASN A 33 -5.072 -12.144 -12.068 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.966 -11.076 -14.823 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.266 -9.451 -12.349 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.028 -8.953 -14.013 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.152 -7.510 -14.395 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.496 -7.764 -14.957 1.00 0.00 H new ATOM 542 N LYS A 34 -2.207 -10.688 -14.116 1.00 0.00 N ATOM 543 CA LYS A 34 -0.782 -11.016 -14.206 1.00 0.00 C ATOM 544 C LYS A 34 0.045 -9.714 -14.231 1.00 0.00 C ATOM 545 O LYS A 34 -0.515 -8.630 -14.132 1.00 0.00 O ATOM 546 CB LYS A 34 -0.523 -11.871 -15.466 1.00 0.00 C ATOM 547 CG LYS A 34 -1.259 -11.397 -16.736 1.00 0.00 C ATOM 548 CD LYS A 34 -0.813 -10.029 -17.274 1.00 0.00 C ATOM 549 CE LYS A 34 -1.640 -9.578 -18.480 1.00 0.00 C ATOM 550 NZ LYS A 34 -2.966 -9.111 -18.090 1.00 0.00 N ATOM 0 H LYS A 34 -2.412 -9.710 -14.320 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.478 -11.597 -13.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.548 -11.880 -15.667 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.817 -12.899 -15.256 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.117 -12.142 -17.519 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.327 -11.356 -16.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.896 -9.285 -16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.239 -10.078 -17.556 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.113 -8.779 -19.002 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.739 -10.406 -19.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.613 -9.186 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.323 -9.695 -17.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.908 -8.119 -17.783 1.00 0.00 H new ATOM 564 N ALA A 35 1.384 -9.873 -14.402 1.00 0.00 N ATOM 565 CA ALA A 35 2.347 -8.768 -14.460 1.00 0.00 C ATOM 566 C ALA A 35 1.759 -7.534 -15.163 1.00 0.00 C ATOM 567 O ALA A 35 1.409 -7.564 -16.335 1.00 0.00 O ATOM 568 CB ALA A 35 3.630 -9.238 -15.144 1.00 0.00 C ATOM 0 H ALA A 35 1.819 -10.790 -14.504 1.00 0.00 H new ATOM 0 HA ALA A 35 2.582 -8.464 -13.440 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.343 -8.415 -15.185 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.062 -10.064 -14.579 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.402 -9.571 -16.156 1.00 0.00 H new ATOM 574 N GLY A 36 1.647 -6.475 -14.334 1.00 0.00 N ATOM 575 CA GLY A 36 1.084 -5.204 -14.747 1.00 0.00 C ATOM 576 C GLY A 36 -0.070 -4.834 -13.816 1.00 0.00 C ATOM 577 O GLY A 36 -0.156 -3.719 -13.339 1.00 0.00 O ATOM 0 H GLY A 36 1.950 -6.493 -13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.850 -4.429 -14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.730 -5.268 -15.776 1.00 0.00 H new ATOM 581 N SER A 37 -0.960 -5.809 -13.543 1.00 0.00 N ATOM 582 CA SER A 37 -2.045 -5.536 -12.599 1.00 0.00 C ATOM 583 C SER A 37 -1.413 -5.067 -11.265 1.00 0.00 C ATOM 584 O SER A 37 -0.482 -5.686 -10.752 1.00 0.00 O ATOM 585 CB SER A 37 -2.889 -6.827 -12.348 1.00 0.00 C ATOM 586 OG SER A 37 -2.185 -8.117 -12.166 1.00 0.00 O ATOM 0 H SER A 37 -0.949 -6.747 -13.944 1.00 0.00 H new ATOM 0 HA SER A 37 -2.703 -4.769 -13.007 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.498 -6.656 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.575 -6.941 -13.188 1.00 0.00 H new ATOM 0 HG SER A 37 -1.714 -8.352 -12.992 1.00 0.00 H new ATOM 592 N PHE A 38 -1.969 -3.927 -10.775 1.00 0.00 N ATOM 593 CA PHE A 38 -1.486 -3.329 -9.536 1.00 0.00 C ATOM 594 C PHE A 38 -2.633 -3.231 -8.480 1.00 0.00 C ATOM 595 O PHE A 38 -3.811 -3.502 -8.680 1.00 0.00 O ATOM 596 CB PHE A 38 -1.068 -1.822 -9.696 1.00 0.00 C ATOM 597 CG PHE A 38 0.071 -1.343 -10.539 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.029 -2.173 -11.078 1.00 0.00 C ATOM 599 CD2 PHE A 38 0.228 0.038 -10.654 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.166 -1.624 -11.668 1.00 0.00 C ATOM 601 CE2 PHE A 38 1.356 0.589 -11.240 1.00 0.00 C ATOM 602 CZ PHE A 38 2.334 -0.250 -11.745 1.00 0.00 C ATOM 0 H PHE A 38 -2.736 -3.424 -11.221 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.651 -3.967 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.953 -1.300 -10.060 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.873 -1.454 -8.689 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.900 -3.245 -11.044 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.546 0.691 -10.279 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.926 -2.277 -12.070 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.471 1.661 -11.302 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.224 0.164 -12.197 1.00 0.00 H new ATOM 612 N LEU A 39 -2.054 -2.727 -7.370 1.00 0.00 N ATOM 613 CA LEU A 39 -2.402 -2.286 -6.037 1.00 0.00 C ATOM 614 C LEU A 39 -1.494 -1.106 -5.712 1.00 0.00 C ATOM 615 O LEU A 39 -0.351 -1.100 -6.146 1.00 0.00 O ATOM 616 CB LEU A 39 -1.957 -3.328 -5.004 1.00 0.00 C ATOM 617 CG LEU A 39 -2.961 -4.396 -4.626 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.676 -3.783 -3.427 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.968 -4.809 -5.684 1.00 0.00 C ATOM 0 H LEU A 39 -1.045 -2.596 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.473 -2.086 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.064 -3.823 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.666 -2.801 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.435 -5.333 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.435 -4.475 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.954 -3.587 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.151 -2.848 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.625 -5.579 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.562 -3.944 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.441 -5.201 -6.554 1.00 0.00 H new ATOM 631 N ILE A 40 -2.011 -0.137 -4.918 1.00 0.00 N ATOM 632 CA ILE A 40 -1.057 0.910 -4.550 1.00 0.00 C ATOM 633 C ILE A 40 -1.618 1.230 -3.125 1.00 0.00 C ATOM 634 O ILE A 40 -2.513 2.043 -2.932 1.00 0.00 O ATOM 635 CB ILE A 40 -1.070 2.019 -5.649 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.274 2.703 -5.874 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.907 3.237 -5.260 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.356 3.108 -7.366 1.00 0.00 C ATOM 0 H ILE A 40 -2.964 -0.063 -4.562 1.00 0.00 H new ATOM 0 HA ILE A 40 0.012 0.701 -4.503 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.432 1.453 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.368 3.581 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.092 2.031 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.876 3.972 -6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.939 2.930 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.504 3.679 -4.349 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.309 3.601 -7.557 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.276 2.218 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.460 3.791 -7.603 1.00 0.00 H new ATOM 650 N ARG A 41 -1.109 0.436 -2.152 1.00 0.00 N ATOM 651 CA ARG A 41 -1.563 0.509 -0.766 1.00 0.00 C ATOM 652 C ARG A 41 -0.699 1.507 0.012 1.00 0.00 C ATOM 653 O ARG A 41 0.498 1.586 -0.218 1.00 0.00 O ATOM 654 CB ARG A 41 -1.589 -0.936 -0.245 1.00 0.00 C ATOM 655 CG ARG A 41 -0.297 -1.484 0.380 1.00 0.00 C ATOM 656 CD ARG A 41 -0.199 -1.127 1.867 1.00 0.00 C ATOM 657 NE ARG A 41 0.644 -2.081 2.574 1.00 0.00 N ATOM 658 CZ ARG A 41 0.671 -2.138 3.922 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.027 -1.242 4.662 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.359 -3.104 4.516 1.00 0.00 N ATOM 0 H ARG A 41 -0.382 -0.260 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.570 0.907 -0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.382 -1.012 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.866 -1.588 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.265 -2.567 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.565 -1.080 -0.150 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.209 -0.122 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.195 -1.117 2.310 1.00 0.00 H new ATOM 0 HE ARG A 41 1.228 -2.722 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.500 -0.494 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.060 -1.303 5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.860 -3.793 3.955 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.387 -3.158 5.534 1.00 0.00 H new ATOM 674 N GLU A 42 -1.348 2.263 0.939 1.00 0.00 N ATOM 675 CA GLU A 42 -0.576 3.288 1.643 1.00 0.00 C ATOM 676 C GLU A 42 0.306 2.739 2.771 1.00 0.00 C ATOM 677 O GLU A 42 0.050 1.700 3.368 1.00 0.00 O ATOM 678 CB GLU A 42 -1.351 4.533 2.146 1.00 0.00 C ATOM 679 CG GLU A 42 -1.954 4.517 3.563 1.00 0.00 C ATOM 680 CD GLU A 42 -2.099 5.912 4.211 1.00 0.00 C ATOM 681 OE1 GLU A 42 -1.558 6.899 3.706 1.00 0.00 O ATOM 682 OE2 GLU A 42 -2.762 5.984 5.243 1.00 0.00 O ATOM 0 H GLU A 42 -2.332 2.184 1.194 1.00 0.00 H new ATOM 0 HA GLU A 42 0.058 3.646 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.676 5.387 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.164 4.719 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.936 4.045 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.329 3.895 4.204 1.00 0.00 H new ATOM 689 N SER A 43 1.364 3.541 3.013 1.00 0.00 N ATOM 690 CA SER A 43 2.286 3.264 4.105 1.00 0.00 C ATOM 691 C SER A 43 1.571 3.881 5.315 1.00 0.00 C ATOM 692 O SER A 43 1.716 5.055 5.596 1.00 0.00 O ATOM 693 CB SER A 43 3.639 3.994 3.828 1.00 0.00 C ATOM 694 OG SER A 43 4.711 3.957 4.852 1.00 0.00 O ATOM 0 H SER A 43 1.589 4.373 2.467 1.00 0.00 H new ATOM 0 HA SER A 43 2.518 2.208 4.244 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.051 3.580 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.411 5.042 3.632 1.00 0.00 H new ATOM 0 HG SER A 43 4.857 4.859 5.206 1.00 0.00 H new ATOM 700 N GLU A 44 0.774 3.041 5.999 1.00 0.00 N ATOM 701 CA GLU A 44 -0.065 3.465 7.125 1.00 0.00 C ATOM 702 C GLU A 44 0.622 4.333 8.220 1.00 0.00 C ATOM 703 O GLU A 44 -0.061 4.893 9.066 1.00 0.00 O ATOM 704 CB GLU A 44 -0.876 2.279 7.695 1.00 0.00 C ATOM 705 CG GLU A 44 -0.139 0.924 7.682 1.00 0.00 C ATOM 706 CD GLU A 44 -1.040 -0.234 8.153 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.566 -0.160 9.262 1.00 0.00 O ATOM 708 OE2 GLU A 44 -1.195 -1.203 7.407 1.00 0.00 O ATOM 0 H GLU A 44 0.696 2.047 5.783 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.764 4.179 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.160 2.512 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.799 2.180 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.219 0.717 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.739 0.984 8.325 1.00 0.00 H new ATOM 715 N SER A 45 1.965 4.443 8.174 1.00 0.00 N ATOM 716 CA SER A 45 2.750 5.247 9.105 1.00 0.00 C ATOM 717 C SER A 45 2.631 6.766 8.828 1.00 0.00 C ATOM 718 O SER A 45 2.615 7.590 9.735 1.00 0.00 O ATOM 719 CB SER A 45 4.229 4.880 8.821 1.00 0.00 C ATOM 720 OG SER A 45 4.722 5.026 7.424 1.00 0.00 O ATOM 0 H SER A 45 2.534 3.965 7.475 1.00 0.00 H new ATOM 0 HA SER A 45 2.405 5.051 10.120 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.857 5.496 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.382 3.844 9.124 1.00 0.00 H new ATOM 0 HG SER A 45 4.413 4.266 6.887 1.00 0.00 H new ATOM 726 N ASN A 46 2.583 7.070 7.518 1.00 0.00 N ATOM 727 CA ASN A 46 2.522 8.429 6.976 1.00 0.00 C ATOM 728 C ASN A 46 1.130 8.739 6.401 1.00 0.00 C ATOM 729 O ASN A 46 0.348 7.853 6.088 1.00 0.00 O ATOM 730 CB ASN A 46 3.539 8.573 5.824 1.00 0.00 C ATOM 731 CG ASN A 46 3.564 7.317 4.984 1.00 0.00 C ATOM 732 OD1 ASN A 46 4.533 6.574 4.982 1.00 0.00 O ATOM 733 ND2 ASN A 46 2.448 7.147 4.275 1.00 0.00 N ATOM 0 H ASN A 46 2.586 6.353 6.792 1.00 0.00 H new ATOM 0 HA ASN A 46 2.744 9.117 7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.275 9.429 5.202 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.532 8.767 6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.351 6.337 3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.691 7.827 4.345 1.00 0.00 H new ATOM 740 N LYS A 47 0.889 10.057 6.299 1.00 0.00 N ATOM 741 CA LYS A 47 -0.335 10.591 5.722 1.00 0.00 C ATOM 742 C LYS A 47 -0.130 11.057 4.269 1.00 0.00 C ATOM 743 O LYS A 47 -0.289 12.233 3.963 1.00 0.00 O ATOM 744 CB LYS A 47 -0.938 11.653 6.645 1.00 0.00 C ATOM 745 CG LYS A 47 0.118 12.624 7.131 1.00 0.00 C ATOM 746 CD LYS A 47 0.686 12.187 8.491 1.00 0.00 C ATOM 747 CE LYS A 47 2.149 12.573 8.626 1.00 0.00 C ATOM 748 NZ LYS A 47 2.765 12.000 9.820 1.00 0.00 N ATOM 0 H LYS A 47 1.542 10.773 6.617 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.073 9.792 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.719 12.198 6.115 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.411 11.169 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.924 12.686 6.400 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.312 13.622 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.110 12.648 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.580 11.108 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.694 12.239 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.234 13.659 8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.762 12.291 9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.263 12.338 10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.709 10.962 9.776 1.00 0.00 H new ATOM 762 N GLY A 48 0.245 10.081 3.408 1.00 0.00 N ATOM 763 CA GLY A 48 0.444 10.440 2.003 1.00 0.00 C ATOM 764 C GLY A 48 1.359 9.516 1.204 1.00 0.00 C ATOM 765 O GLY A 48 1.273 9.472 -0.014 1.00 0.00 O ATOM 0 H GLY A 48 0.405 9.103 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.529 10.468 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.852 11.450 1.960 1.00 0.00 H new ATOM 769 N ALA A 49 2.229 8.793 1.935 1.00 0.00 N ATOM 770 CA ALA A 49 3.179 7.864 1.291 1.00 0.00 C ATOM 771 C ALA A 49 2.472 6.529 1.015 1.00 0.00 C ATOM 772 O ALA A 49 1.574 6.140 1.748 1.00 0.00 O ATOM 773 CB ALA A 49 4.472 7.657 2.120 1.00 0.00 C ATOM 0 H ALA A 49 2.295 8.832 2.952 1.00 0.00 H new ATOM 0 HA ALA A 49 3.500 8.309 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.132 6.965 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.978 8.614 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.216 7.247 3.097 1.00 0.00 H new ATOM 779 N PHE A 50 2.911 5.873 -0.082 1.00 0.00 N ATOM 780 CA PHE A 50 2.324 4.606 -0.505 1.00 0.00 C ATOM 781 C PHE A 50 3.421 3.532 -0.714 1.00 0.00 C ATOM 782 O PHE A 50 4.588 3.701 -0.381 1.00 0.00 O ATOM 783 CB PHE A 50 1.415 4.845 -1.757 1.00 0.00 C ATOM 784 CG PHE A 50 0.059 5.425 -1.424 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.078 6.724 -0.953 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.089 4.659 -1.583 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.322 7.236 -0.608 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.340 5.171 -1.266 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.459 6.462 -0.774 1.00 0.00 C ATOM 0 H PHE A 50 3.666 6.207 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 50 1.680 4.207 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.929 5.517 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.277 3.899 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.798 7.347 -0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.007 3.650 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.403 8.237 -0.211 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.222 4.563 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.430 6.861 -0.522 1.00 0.00 H new ATOM 799 N SER A 51 2.919 2.422 -1.300 1.00 0.00 N ATOM 800 CA SER A 51 3.628 1.211 -1.715 1.00 0.00 C ATOM 801 C SER A 51 2.960 0.768 -3.032 1.00 0.00 C ATOM 802 O SER A 51 1.855 1.209 -3.313 1.00 0.00 O ATOM 803 CB SER A 51 3.446 0.085 -0.649 1.00 0.00 C ATOM 804 OG SER A 51 3.264 0.474 0.768 1.00 0.00 O ATOM 0 H SER A 51 1.923 2.354 -1.508 1.00 0.00 H new ATOM 0 HA SER A 51 4.696 1.398 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.582 -0.512 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.318 -0.567 -0.704 1.00 0.00 H new ATOM 0 HG SER A 51 2.382 0.886 0.884 1.00 0.00 H new ATOM 810 N LEU A 52 3.623 -0.109 -3.812 1.00 0.00 N ATOM 811 CA LEU A 52 3.005 -0.528 -5.076 1.00 0.00 C ATOM 812 C LEU A 52 3.352 -1.987 -5.375 1.00 0.00 C ATOM 813 O LEU A 52 4.485 -2.355 -5.666 1.00 0.00 O ATOM 814 CB LEU A 52 3.585 0.393 -6.185 1.00 0.00 C ATOM 815 CG LEU A 52 3.201 0.037 -7.637 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.698 0.147 -7.827 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.901 0.902 -8.707 1.00 0.00 C ATOM 0 H LEU A 52 4.534 -0.519 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 52 1.919 -0.447 -5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.261 1.415 -5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.672 0.382 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 52 3.542 -0.988 -7.782 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.442 -0.107 -8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.194 -0.540 -7.147 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.378 1.167 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.576 0.587 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.641 1.950 -8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.981 0.781 -8.623 1.00 0.00 H new ATOM 829 N SER A 53 2.257 -2.766 -5.302 1.00 0.00 N ATOM 830 CA SER A 53 2.307 -4.184 -5.554 1.00 0.00 C ATOM 831 C SER A 53 1.900 -4.413 -7.002 1.00 0.00 C ATOM 832 O SER A 53 0.885 -3.915 -7.466 1.00 0.00 O ATOM 833 CB SER A 53 1.397 -4.930 -4.544 1.00 0.00 C ATOM 834 OG SER A 53 1.208 -4.387 -3.175 1.00 0.00 O ATOM 0 H SER A 53 1.328 -2.416 -5.067 1.00 0.00 H new ATOM 0 HA SER A 53 3.312 -4.582 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.410 -5.015 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.789 -5.942 -4.440 1.00 0.00 H new ATOM 0 HG SER A 53 1.064 -5.126 -2.547 1.00 0.00 H new ATOM 840 N VAL A 54 2.783 -5.173 -7.678 1.00 0.00 N ATOM 841 CA VAL A 54 2.598 -5.544 -9.088 1.00 0.00 C ATOM 842 C VAL A 54 2.952 -7.031 -9.163 1.00 0.00 C ATOM 843 O VAL A 54 3.728 -7.464 -8.335 1.00 0.00 O ATOM 844 CB VAL A 54 3.548 -4.734 -9.983 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.262 -4.928 -11.485 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.557 -3.262 -9.559 1.00 0.00 C ATOM 0 H VAL A 54 3.638 -5.543 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 54 1.582 -5.344 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 54 4.556 -5.123 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.963 -4.332 -12.069 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.377 -5.981 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.243 -4.609 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.235 -2.702 -10.203 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.551 -2.852 -9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.891 -3.183 -8.525 1.00 0.00 H new ATOM 856 N LYS A 55 2.424 -7.802 -10.133 1.00 0.00 N ATOM 857 CA LYS A 55 2.778 -9.236 -10.139 1.00 0.00 C ATOM 858 C LYS A 55 4.133 -9.555 -10.835 1.00 0.00 C ATOM 859 O LYS A 55 4.195 -9.444 -12.051 1.00 0.00 O ATOM 860 CB LYS A 55 1.631 -9.908 -10.866 1.00 0.00 C ATOM 861 CG LYS A 55 1.697 -11.429 -11.005 1.00 0.00 C ATOM 862 CD LYS A 55 0.450 -12.074 -10.421 1.00 0.00 C ATOM 863 CE LYS A 55 0.395 -13.585 -10.612 1.00 0.00 C ATOM 864 NZ LYS A 55 1.299 -14.278 -9.705 1.00 0.00 N ATOM 0 H LYS A 55 1.796 -7.488 -10.873 1.00 0.00 H new ATOM 0 HA LYS A 55 2.917 -9.592 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.706 -9.654 -10.348 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.565 -9.478 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.795 -11.700 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.582 -11.808 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.401 -11.849 -9.356 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.430 -11.626 -10.882 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.624 -13.935 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.654 -13.831 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.562 -15.198 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.155 -13.705 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.827 -14.427 -8.790 1.00 0.00 H new ATOM 878 N ASP A 56 5.222 -9.938 -10.090 1.00 0.00 N ATOM 879 CA ASP A 56 6.453 -10.265 -10.835 1.00 0.00 C ATOM 880 C ASP A 56 6.425 -11.757 -11.214 1.00 0.00 C ATOM 881 O ASP A 56 6.340 -12.639 -10.374 1.00 0.00 O ATOM 882 CB ASP A 56 7.754 -9.809 -10.134 1.00 0.00 C ATOM 883 CG ASP A 56 9.030 -10.461 -10.701 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.219 -10.429 -11.916 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.813 -10.999 -9.923 1.00 0.00 O ATOM 0 H ASP A 56 5.264 -10.019 -9.074 1.00 0.00 H new ATOM 0 HA ASP A 56 6.468 -9.680 -11.755 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.842 -8.726 -10.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.682 -10.039 -9.071 1.00 0.00 H new ATOM 890 N ILE A 57 6.477 -11.964 -12.546 1.00 0.00 N ATOM 891 CA ILE A 57 6.474 -13.322 -13.081 1.00 0.00 C ATOM 892 C ILE A 57 7.927 -13.842 -13.056 1.00 0.00 C ATOM 893 O ILE A 57 8.832 -13.238 -13.621 1.00 0.00 O ATOM 894 CB ILE A 57 5.913 -13.336 -14.520 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.476 -12.812 -14.676 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.991 -14.723 -15.167 1.00 0.00 C ATOM 897 CD1 ILE A 57 3.672 -12.754 -13.413 1.00 0.00 C ATOM 0 H ILE A 57 6.520 -11.224 -13.247 1.00 0.00 H new ATOM 0 HA ILE A 57 5.835 -13.966 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 57 6.570 -12.635 -15.035 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.517 -11.812 -15.107 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.952 -13.446 -15.391 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.584 -14.677 -16.177 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.031 -15.047 -15.209 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.414 -15.433 -14.575 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.676 -12.371 -13.633 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.591 -13.754 -12.987 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.164 -12.094 -12.698 1.00 0.00 H new ATOM 909 N THR A 58 8.079 -14.998 -12.374 1.00 0.00 N ATOM 910 CA THR A 58 9.383 -15.644 -12.213 1.00 0.00 C ATOM 911 C THR A 58 9.272 -17.156 -12.452 1.00 0.00 C ATOM 912 O THR A 58 8.191 -17.720 -12.566 1.00 0.00 O ATOM 913 CB THR A 58 9.918 -15.401 -10.770 1.00 0.00 C ATOM 914 OG1 THR A 58 11.200 -16.014 -10.418 1.00 0.00 O ATOM 915 CG2 THR A 58 8.796 -15.619 -9.713 1.00 0.00 C ATOM 0 H THR A 58 7.309 -15.497 -11.929 1.00 0.00 H new ATOM 0 HA THR A 58 10.068 -15.215 -12.944 1.00 0.00 H new ATOM 0 HB THR A 58 10.196 -14.347 -10.760 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.427 -15.788 -9.492 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.197 -15.443 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.977 -14.925 -9.903 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.427 -16.642 -9.780 1.00 0.00 H new ATOM 923 N THR A 59 10.480 -17.765 -12.507 1.00 0.00 N ATOM 924 CA THR A 59 10.618 -19.204 -12.730 1.00 0.00 C ATOM 925 C THR A 59 10.696 -20.001 -11.416 1.00 0.00 C ATOM 926 O THR A 59 10.850 -21.216 -11.455 1.00 0.00 O ATOM 927 CB THR A 59 11.872 -19.546 -13.594 1.00 0.00 C ATOM 928 OG1 THR A 59 12.160 -20.968 -13.819 1.00 0.00 O ATOM 929 CG2 THR A 59 13.132 -18.729 -13.170 1.00 0.00 C ATOM 0 H THR A 59 11.367 -17.273 -12.399 1.00 0.00 H new ATOM 0 HA THR A 59 9.716 -19.497 -13.267 1.00 0.00 H new ATOM 0 HB THR A 59 11.576 -19.212 -14.588 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.815 -21.495 -13.068 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.975 -19.006 -13.803 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.929 -17.664 -13.281 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.373 -18.946 -12.129 1.00 0.00 H new ATOM 937 N GLN A 60 10.595 -19.295 -10.263 1.00 0.00 N ATOM 938 CA GLN A 60 10.660 -19.992 -8.974 1.00 0.00 C ATOM 939 C GLN A 60 9.474 -19.581 -8.086 1.00 0.00 C ATOM 940 O GLN A 60 9.633 -19.056 -6.991 1.00 0.00 O ATOM 941 CB GLN A 60 12.000 -19.757 -8.267 1.00 0.00 C ATOM 942 CG GLN A 60 13.217 -20.263 -9.059 1.00 0.00 C ATOM 943 CD GLN A 60 13.435 -21.776 -8.870 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.974 -22.225 -7.868 1.00 0.00 O ATOM 945 NE2 GLN A 60 12.994 -22.529 -9.889 1.00 0.00 N ATOM 0 H GLN A 60 10.473 -18.284 -10.206 1.00 0.00 H new ATOM 0 HA GLN A 60 10.590 -21.063 -9.165 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.119 -18.690 -8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.979 -20.251 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.077 -20.046 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.109 -19.725 -8.738 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.553 -22.088 -10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.100 -23.543 -9.857 1.00 0.00 H new ATOM 954 N GLY A 61 8.280 -19.871 -8.646 1.00 0.00 N ATOM 955 CA GLY A 61 7.027 -19.551 -7.972 1.00 0.00 C ATOM 956 C GLY A 61 6.715 -18.063 -8.142 1.00 0.00 C ATOM 957 O GLY A 61 7.349 -17.215 -7.531 1.00 0.00 O ATOM 0 H GLY A 61 8.169 -20.322 -9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.217 -20.152 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.099 -19.799 -6.913 1.00 0.00 H new ATOM 961 N GLU A 62 5.705 -17.812 -9.004 1.00 0.00 N ATOM 962 CA GLU A 62 5.233 -16.473 -9.382 1.00 0.00 C ATOM 963 C GLU A 62 5.043 -15.603 -8.114 1.00 0.00 C ATOM 964 O GLU A 62 4.596 -16.098 -7.086 1.00 0.00 O ATOM 965 CB GLU A 62 3.905 -16.672 -10.124 1.00 0.00 C ATOM 966 CG GLU A 62 3.674 -15.589 -11.180 1.00 0.00 C ATOM 967 CD GLU A 62 2.499 -15.961 -12.110 1.00 0.00 C ATOM 968 OE1 GLU A 62 1.436 -16.326 -11.610 1.00 0.00 O ATOM 969 OE2 GLU A 62 2.664 -15.886 -13.324 1.00 0.00 O ATOM 0 H GLU A 62 5.186 -18.559 -9.465 1.00 0.00 H new ATOM 0 HA GLU A 62 5.951 -15.957 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.899 -17.652 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.084 -16.662 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.467 -14.637 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.580 -15.453 -11.770 1.00 0.00 H new ATOM 976 N VAL A 63 5.404 -14.305 -8.232 1.00 0.00 N ATOM 977 CA VAL A 63 5.320 -13.395 -7.094 1.00 0.00 C ATOM 978 C VAL A 63 4.556 -12.117 -7.512 1.00 0.00 C ATOM 979 O VAL A 63 3.833 -12.064 -8.500 1.00 0.00 O ATOM 980 CB VAL A 63 6.764 -13.068 -6.621 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.557 -14.323 -6.252 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.540 -12.225 -7.648 1.00 0.00 C ATOM 0 H VAL A 63 5.749 -13.881 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 63 4.775 -13.853 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 63 6.648 -12.470 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.558 -14.039 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.050 -14.849 -5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.629 -14.977 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.542 -12.024 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.610 -12.771 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.018 -11.282 -7.813 1.00 0.00 H new ATOM 992 N VAL A 64 4.815 -11.107 -6.659 1.00 0.00 N ATOM 993 CA VAL A 64 4.359 -9.732 -6.714 1.00 0.00 C ATOM 994 C VAL A 64 5.652 -8.893 -6.501 1.00 0.00 C ATOM 995 O VAL A 64 6.724 -9.466 -6.588 1.00 0.00 O ATOM 996 CB VAL A 64 3.135 -9.610 -5.774 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.809 -8.211 -5.286 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.863 -10.068 -6.492 1.00 0.00 C ATOM 0 H VAL A 64 5.406 -11.263 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 64 3.939 -9.341 -7.640 1.00 0.00 H new ATOM 0 HB VAL A 64 3.423 -10.225 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.935 -8.247 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.658 -7.812 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.600 -7.567 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.011 -9.976 -5.818 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.698 -9.446 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.973 -11.108 -6.798 1.00 0.00 H new ATOM 1008 N LYS A 65 5.548 -7.559 -6.316 1.00 0.00 N ATOM 1009 CA LYS A 65 6.681 -6.647 -6.017 1.00 0.00 C ATOM 1010 C LYS A 65 6.178 -5.566 -5.064 1.00 0.00 C ATOM 1011 O LYS A 65 5.026 -5.591 -4.661 1.00 0.00 O ATOM 1012 CB LYS A 65 7.573 -6.017 -7.115 1.00 0.00 C ATOM 1013 CG LYS A 65 7.813 -6.962 -8.268 1.00 0.00 C ATOM 1014 CD LYS A 65 6.547 -6.961 -9.097 1.00 0.00 C ATOM 1015 CE LYS A 65 6.725 -6.459 -10.543 1.00 0.00 C ATOM 1016 NZ LYS A 65 5.747 -6.997 -11.479 1.00 0.00 N ATOM 0 H LYS A 65 4.654 -7.072 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 65 7.408 -7.352 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.101 -5.107 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.530 -5.726 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.667 -6.638 -8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.039 -7.965 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.147 -7.974 -9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.804 -6.338 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.660 -5.371 -10.550 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.725 -6.721 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.538 -6.286 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.131 -7.853 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.873 -7.237 -10.969 1.00 0.00 H new ATOM 1030 N HIS A 66 7.097 -4.633 -4.751 1.00 0.00 N ATOM 1031 CA HIS A 66 6.836 -3.518 -3.854 1.00 0.00 C ATOM 1032 C HIS A 66 7.728 -2.308 -4.233 1.00 0.00 C ATOM 1033 O HIS A 66 8.941 -2.388 -4.097 1.00 0.00 O ATOM 1034 CB HIS A 66 7.262 -3.922 -2.433 1.00 0.00 C ATOM 1035 CG HIS A 66 6.588 -5.181 -1.947 1.00 0.00 C ATOM 1036 ND1 HIS A 66 7.222 -6.371 -1.872 1.00 0.00 N ATOM 1037 CD2 HIS A 66 5.269 -5.348 -1.496 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.320 -7.238 -1.390 1.00 0.00 C ATOM 1039 NE2 HIS A 66 5.137 -6.649 -1.154 1.00 0.00 N ATOM 0 H HIS A 66 8.047 -4.642 -5.123 1.00 0.00 H new ATOM 0 HA HIS A 66 5.778 -3.263 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.342 -4.064 -2.411 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.034 -3.107 -1.746 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.507 -4.585 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.521 -8.284 -1.213 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.298 -7.098 -0.786 1.00 0.00 H new ATOM 1047 N TYR A 67 7.103 -1.200 -4.697 1.00 0.00 N ATOM 1048 CA TYR A 67 7.880 0.001 -5.038 1.00 0.00 C ATOM 1049 C TYR A 67 7.494 1.102 -4.045 1.00 0.00 C ATOM 1050 O TYR A 67 6.323 1.274 -3.725 1.00 0.00 O ATOM 1051 CB TYR A 67 7.638 0.480 -6.474 1.00 0.00 C ATOM 1052 CG TYR A 67 8.037 -0.549 -7.489 1.00 0.00 C ATOM 1053 CD1 TYR A 67 7.167 -1.568 -7.852 1.00 0.00 C ATOM 1054 CD2 TYR A 67 9.282 -0.470 -8.096 1.00 0.00 C ATOM 1055 CE1 TYR A 67 7.526 -2.492 -8.822 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.654 -1.379 -9.074 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.771 -2.398 -9.452 1.00 0.00 C ATOM 1058 OH TYR A 67 9.089 -3.269 -10.485 1.00 0.00 O ATOM 0 H TYR A 67 6.096 -1.118 -4.838 1.00 0.00 H new ATOM 0 HA TYR A 67 8.941 -0.241 -4.974 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.583 0.723 -6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.200 1.397 -6.649 1.00 0.00 H new ATOM 0 HD1 TYR A 67 6.201 -1.642 -7.374 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.970 0.309 -7.803 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.844 -3.285 -9.091 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.623 -1.302 -9.544 1.00 0.00 H new ATOM 0 HH TYR A 67 8.271 -3.526 -10.959 1.00 0.00 H new ATOM 1068 N LYS A 68 8.545 1.819 -3.578 1.00 0.00 N ATOM 1069 CA LYS A 68 8.333 2.894 -2.611 1.00 0.00 C ATOM 1070 C LYS A 68 8.038 4.237 -3.305 1.00 0.00 C ATOM 1071 O LYS A 68 8.846 4.809 -4.022 1.00 0.00 O ATOM 1072 CB LYS A 68 9.467 2.956 -1.575 1.00 0.00 C ATOM 1073 CG LYS A 68 10.731 3.660 -2.065 1.00 0.00 C ATOM 1074 CD LYS A 68 10.758 5.174 -1.776 1.00 0.00 C ATOM 1075 CE LYS A 68 11.301 5.539 -0.389 1.00 0.00 C ATOM 1076 NZ LYS A 68 10.353 5.251 0.683 1.00 0.00 N ATOM 0 H LYS A 68 9.516 1.670 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 68 7.433 2.664 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.102 3.469 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.725 1.940 -1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.598 3.196 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.828 3.504 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.368 5.666 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.747 5.569 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.224 4.989 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.553 6.599 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.614 5.792 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.395 5.521 0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.373 4.234 0.901 1.00 0.00 H new ATOM 1090 N ILE A 69 6.811 4.680 -3.010 1.00 0.00 N ATOM 1091 CA ILE A 69 6.202 5.920 -3.461 1.00 0.00 C ATOM 1092 C ILE A 69 6.080 6.938 -2.325 1.00 0.00 C ATOM 1093 O ILE A 69 5.185 6.875 -1.496 1.00 0.00 O ATOM 1094 CB ILE A 69 4.920 5.694 -4.276 1.00 0.00 C ATOM 1095 CG1 ILE A 69 4.202 4.405 -3.877 1.00 0.00 C ATOM 1096 CG2 ILE A 69 4.956 6.025 -5.771 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.031 4.112 -4.775 1.00 0.00 C ATOM 0 H ILE A 69 6.184 4.143 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 69 6.882 6.380 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 69 4.263 6.506 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.904 3.572 -3.914 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.857 4.486 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.982 5.816 -6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.196 7.080 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.716 5.415 -6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.550 3.188 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.315 4.932 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.378 4.004 -5.802 1.00 0.00 H new ATOM 1109 N ARG A 70 7.041 7.879 -2.337 1.00 0.00 N ATOM 1110 CA ARG A 70 7.012 8.965 -1.373 1.00 0.00 C ATOM 1111 C ARG A 70 6.000 9.961 -1.912 1.00 0.00 C ATOM 1112 O ARG A 70 5.660 9.908 -3.082 1.00 0.00 O ATOM 1113 CB ARG A 70 8.382 9.623 -1.303 1.00 0.00 C ATOM 1114 CG ARG A 70 9.286 8.976 -0.249 1.00 0.00 C ATOM 1115 CD ARG A 70 9.969 10.086 0.543 1.00 0.00 C ATOM 1116 NE ARG A 70 11.153 9.637 1.271 1.00 0.00 N ATOM 1117 CZ ARG A 70 11.104 9.007 2.465 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.945 8.686 3.027 1.00 0.00 N ATOM 1119 NH2 ARG A 70 12.234 8.704 3.089 1.00 0.00 N ATOM 0 H ARG A 70 7.824 7.901 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 70 6.751 8.615 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.863 9.560 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.262 10.682 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.700 8.341 0.415 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.029 8.338 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.254 10.887 -0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.256 10.509 1.250 1.00 0.00 H new ATOM 0 HE ARG A 70 12.068 9.809 0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.069 8.915 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.930 8.210 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.130 8.947 2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.207 8.228 3.991 1.00 0.00 H new ATOM 1133 N SER A 71 5.540 10.837 -1.012 1.00 0.00 N ATOM 1134 CA SER A 71 4.571 11.848 -1.407 1.00 0.00 C ATOM 1135 C SER A 71 5.178 13.223 -1.160 1.00 0.00 C ATOM 1136 O SER A 71 5.451 13.608 -0.029 1.00 0.00 O ATOM 1137 CB SER A 71 3.297 11.674 -0.557 1.00 0.00 C ATOM 1138 OG SER A 71 3.433 11.472 0.908 1.00 0.00 O ATOM 0 H SER A 71 5.818 10.863 -0.031 1.00 0.00 H new ATOM 0 HA SER A 71 4.316 11.746 -2.462 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.675 12.556 -0.712 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.748 10.822 -0.957 1.00 0.00 H new ATOM 0 HG SER A 71 2.844 12.097 1.380 1.00 0.00 H new ATOM 1144 N LEU A 72 5.370 13.929 -2.290 1.00 0.00 N ATOM 1145 CA LEU A 72 5.979 15.240 -2.282 1.00 0.00 C ATOM 1146 C LEU A 72 4.920 16.299 -2.516 1.00 0.00 C ATOM 1147 O LEU A 72 4.049 16.178 -3.369 1.00 0.00 O ATOM 1148 CB LEU A 72 7.046 15.305 -3.385 1.00 0.00 C ATOM 1149 CG LEU A 72 7.848 14.020 -3.523 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.333 13.541 -2.144 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.079 12.984 -4.373 1.00 0.00 C ATOM 0 H LEU A 72 5.105 13.597 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 72 6.447 15.423 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.562 15.527 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.727 16.129 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 72 8.764 14.197 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.905 12.621 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.965 14.307 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.473 13.355 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.671 12.073 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.127 12.755 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.896 13.393 -5.367 1.00 0.00 H new ATOM 1163 N ASP A 73 5.083 17.342 -1.691 1.00 0.00 N ATOM 1164 CA ASP A 73 4.190 18.494 -1.766 1.00 0.00 C ATOM 1165 C ASP A 73 4.385 19.261 -3.089 1.00 0.00 C ATOM 1166 O ASP A 73 3.464 19.847 -3.643 1.00 0.00 O ATOM 1167 CB ASP A 73 4.440 19.433 -0.573 1.00 0.00 C ATOM 1168 CG ASP A 73 5.922 19.834 -0.424 1.00 0.00 C ATOM 1169 OD1 ASP A 73 6.680 19.071 0.174 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.295 20.902 -0.907 1.00 0.00 O ATOM 0 H ASP A 73 5.811 17.408 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 73 3.163 18.131 -1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.836 20.332 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.107 18.945 0.343 1.00 0.00 H new ATOM 1175 N ASN A 74 5.653 19.181 -3.546 1.00 0.00 N ATOM 1176 CA ASN A 74 6.096 19.843 -4.764 1.00 0.00 C ATOM 1177 C ASN A 74 6.339 18.869 -5.936 1.00 0.00 C ATOM 1178 O ASN A 74 6.837 19.273 -6.980 1.00 0.00 O ATOM 1179 CB ASN A 74 7.400 20.586 -4.425 1.00 0.00 C ATOM 1180 CG ASN A 74 8.499 19.628 -3.922 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.636 19.368 -2.735 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.262 19.118 -4.899 1.00 0.00 N ATOM 0 H ASN A 74 6.387 18.654 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 74 5.310 20.520 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.757 21.114 -5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.200 21.340 -3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.014 18.468 -4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.090 19.380 -5.870 1.00 0.00 H new ATOM 1189 N GLY A 75 5.985 17.585 -5.721 1.00 0.00 N ATOM 1190 CA GLY A 75 6.239 16.625 -6.797 1.00 0.00 C ATOM 1191 C GLY A 75 5.425 15.328 -6.764 1.00 0.00 C ATOM 1192 O GLY A 75 5.859 14.318 -7.295 1.00 0.00 O ATOM 0 H GLY A 75 5.554 17.214 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.050 17.122 -7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.297 16.364 -6.778 1.00 0.00 H new ATOM 1196 N GLY A 76 4.253 15.390 -6.112 1.00 0.00 N ATOM 1197 CA GLY A 76 3.328 14.263 -6.052 1.00 0.00 C ATOM 1198 C GLY A 76 3.850 12.950 -5.480 1.00 0.00 C ATOM 1199 O GLY A 76 3.644 12.671 -4.311 1.00 0.00 O ATOM 0 H GLY A 76 3.928 16.220 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.465 14.568 -5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.968 14.070 -7.063 1.00 0.00 H new ATOM 1203 N TYR A 77 4.495 12.149 -6.375 1.00 0.00 N ATOM 1204 CA TYR A 77 5.043 10.853 -5.991 1.00 0.00 C ATOM 1205 C TYR A 77 6.287 10.551 -6.808 1.00 0.00 C ATOM 1206 O TYR A 77 6.383 10.850 -7.991 1.00 0.00 O ATOM 1207 CB TYR A 77 4.068 9.674 -6.183 1.00 0.00 C ATOM 1208 CG TYR A 77 2.838 9.834 -5.349 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.759 10.534 -5.851 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.764 9.287 -4.080 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.592 10.694 -5.119 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.619 9.444 -3.315 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.515 10.138 -3.829 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.639 10.274 -3.065 1.00 0.00 O ATOM 0 H TYR A 77 4.638 12.392 -7.355 1.00 0.00 H new ATOM 0 HA TYR A 77 5.260 10.939 -4.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.788 9.600 -7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.568 8.742 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.825 10.968 -6.838 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.603 8.735 -3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.245 11.237 -5.533 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.577 9.030 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.515 9.827 -2.202 1.00 0.00 H new ATOM 1224 N TYR A 78 7.224 9.914 -6.071 1.00 0.00 N ATOM 1225 CA TYR A 78 8.485 9.507 -6.695 1.00 0.00 C ATOM 1226 C TYR A 78 8.895 8.084 -6.238 1.00 0.00 C ATOM 1227 O TYR A 78 8.854 7.759 -5.056 1.00 0.00 O ATOM 1228 CB TYR A 78 9.589 10.575 -6.494 1.00 0.00 C ATOM 1229 CG TYR A 78 10.449 10.474 -5.254 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.470 9.538 -5.218 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.306 11.324 -4.161 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.352 9.437 -4.160 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.188 11.242 -3.086 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.217 10.296 -3.066 1.00 0.00 C ATOM 1235 OH TYR A 78 13.093 10.253 -1.984 1.00 0.00 O ATOM 0 H TYR A 78 7.131 9.681 -5.082 1.00 0.00 H new ATOM 0 HA TYR A 78 8.338 9.445 -7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.248 10.544 -7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.111 11.555 -6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.581 8.860 -6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.507 12.051 -4.146 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.141 8.699 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.075 11.921 -2.254 1.00 0.00 H new ATOM 0 HH TYR A 78 12.833 10.930 -1.325 1.00 0.00 H new ATOM 1245 N ILE A 79 9.278 7.272 -7.259 1.00 0.00 N ATOM 1246 CA ILE A 79 9.763 5.886 -7.103 1.00 0.00 C ATOM 1247 C ILE A 79 11.306 5.828 -7.210 1.00 0.00 C ATOM 1248 O ILE A 79 11.947 4.860 -6.817 1.00 0.00 O ATOM 1249 CB ILE A 79 8.935 4.801 -7.845 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.255 5.353 -9.116 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.965 4.093 -6.885 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.279 4.377 -9.790 1.00 0.00 C ATOM 0 H ILE A 79 9.255 7.575 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 79 9.551 5.569 -6.082 1.00 0.00 H new ATOM 0 HB ILE A 79 9.626 4.037 -8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.717 6.265 -8.858 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.026 5.630 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.398 3.339 -7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.530 3.614 -6.085 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.278 4.824 -6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.847 4.846 -10.674 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.813 3.473 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.483 4.118 -9.092 1.00 0.00 H new ATOM 1264 N SER A 80 11.844 6.943 -7.732 1.00 0.00 N ATOM 1265 CA SER A 80 13.267 7.233 -7.884 1.00 0.00 C ATOM 1266 C SER A 80 13.179 8.777 -8.019 1.00 0.00 C ATOM 1267 O SER A 80 12.279 9.269 -8.687 1.00 0.00 O ATOM 1268 CB SER A 80 13.837 6.388 -9.072 1.00 0.00 C ATOM 1269 OG SER A 80 15.284 6.282 -9.388 1.00 0.00 O ATOM 0 H SER A 80 11.259 7.704 -8.076 1.00 0.00 H new ATOM 0 HA SER A 80 13.973 6.962 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.482 5.369 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.354 6.763 -9.974 1.00 0.00 H new ATOM 0 HG SER A 80 15.422 5.583 -10.061 1.00 0.00 H new ATOM 1275 N PRO A 81 14.066 9.572 -7.360 1.00 0.00 N ATOM 1276 CA PRO A 81 13.873 11.023 -7.363 1.00 0.00 C ATOM 1277 C PRO A 81 13.961 11.786 -8.691 1.00 0.00 C ATOM 1278 O PRO A 81 13.507 12.920 -8.778 1.00 0.00 O ATOM 1279 CB PRO A 81 14.865 11.541 -6.315 1.00 0.00 C ATOM 1280 CG PRO A 81 15.478 10.309 -5.648 1.00 0.00 C ATOM 1281 CD PRO A 81 15.241 9.157 -6.610 1.00 0.00 C ATOM 0 HA PRO A 81 12.825 11.219 -7.137 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.637 12.154 -6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.360 12.169 -5.580 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.543 10.453 -5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.012 10.114 -4.682 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.098 8.998 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.068 8.221 -6.079 1.00 0.00 H new ATOM 1289 N ARG A 82 14.517 11.114 -9.720 1.00 0.00 N ATOM 1290 CA ARG A 82 14.627 11.752 -11.039 1.00 0.00 C ATOM 1291 C ARG A 82 13.380 11.489 -11.919 1.00 0.00 C ATOM 1292 O ARG A 82 13.213 12.089 -12.973 1.00 0.00 O ATOM 1293 CB ARG A 82 15.944 11.366 -11.731 1.00 0.00 C ATOM 1294 CG ARG A 82 16.054 9.912 -12.213 1.00 0.00 C ATOM 1295 CD ARG A 82 16.042 8.881 -11.082 1.00 0.00 C ATOM 1296 NE ARG A 82 16.837 7.709 -11.430 1.00 0.00 N ATOM 1297 CZ ARG A 82 16.466 6.781 -12.336 1.00 0.00 C ATOM 1298 NH1 ARG A 82 15.312 6.873 -12.978 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.277 5.762 -12.588 1.00 0.00 N ATOM 0 H ARG A 82 14.884 10.164 -9.665 1.00 0.00 H new ATOM 0 HA ARG A 82 14.656 12.831 -10.887 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.086 12.023 -12.589 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.764 11.561 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.228 9.701 -12.892 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.974 9.798 -12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.434 9.332 -10.171 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.016 8.579 -10.872 1.00 0.00 H new ATOM 0 HE ARG A 82 17.732 7.583 -10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.685 7.656 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.049 6.161 -13.660 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.169 5.687 -12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.009 5.053 -13.271 1.00 0.00 H new ATOM 1313 N ILE A 83 12.531 10.567 -11.420 1.00 0.00 N ATOM 1314 CA ILE A 83 11.271 10.179 -12.054 1.00 0.00 C ATOM 1315 C ILE A 83 10.148 10.340 -11.014 1.00 0.00 C ATOM 1316 O ILE A 83 9.719 9.426 -10.316 1.00 0.00 O ATOM 1317 CB ILE A 83 11.332 8.783 -12.662 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.974 7.804 -11.690 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.045 8.758 -14.017 1.00 0.00 C ATOM 1320 CD1 ILE A 83 11.184 6.527 -11.678 1.00 0.00 C ATOM 0 H ILE A 83 12.713 10.067 -10.550 1.00 0.00 H new ATOM 0 HA ILE A 83 11.066 10.832 -12.903 1.00 0.00 H new ATOM 0 HB ILE A 83 10.304 8.472 -12.848 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.005 7.605 -11.984 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.006 8.235 -10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.058 7.738 -14.402 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.517 9.404 -14.718 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.068 9.114 -13.896 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.641 5.823 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.161 6.735 -11.364 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.176 6.095 -12.679 1.00 0.00 H new ATOM 1332 N THR A 84 9.748 11.622 -11.009 1.00 0.00 N ATOM 1333 CA THR A 84 8.726 12.203 -10.159 1.00 0.00 C ATOM 1334 C THR A 84 7.471 12.426 -11.028 1.00 0.00 C ATOM 1335 O THR A 84 7.555 12.517 -12.248 1.00 0.00 O ATOM 1336 CB THR A 84 9.339 13.555 -9.693 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.796 13.690 -9.562 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.661 14.015 -8.395 1.00 0.00 C ATOM 0 H THR A 84 10.160 12.310 -11.639 1.00 0.00 H new ATOM 0 HA THR A 84 8.440 11.588 -9.306 1.00 0.00 H new ATOM 0 HB THR A 84 9.129 14.198 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.156 12.907 -9.096 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.095 14.962 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.593 14.145 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.813 13.265 -7.619 1.00 0.00 H new ATOM 1346 N PHE A 85 6.322 12.512 -10.325 1.00 0.00 N ATOM 1347 CA PHE A 85 5.025 12.656 -11.011 1.00 0.00 C ATOM 1348 C PHE A 85 4.051 13.443 -10.115 1.00 0.00 C ATOM 1349 O PHE A 85 4.094 13.293 -8.911 1.00 0.00 O ATOM 1350 CB PHE A 85 4.443 11.247 -11.273 1.00 0.00 C ATOM 1351 CG PHE A 85 5.356 10.436 -12.152 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.277 10.541 -13.535 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.325 9.609 -11.591 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.168 9.850 -14.346 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.224 8.927 -12.396 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.149 9.050 -13.777 1.00 0.00 C ATOM 0 H PHE A 85 6.267 12.485 -9.307 1.00 0.00 H new ATOM 0 HA PHE A 85 5.163 13.189 -11.952 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.293 10.730 -10.325 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.465 11.337 -11.745 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.517 11.164 -13.983 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.377 9.498 -10.518 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.097 9.935 -15.420 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.982 8.301 -11.949 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.852 8.525 -14.407 1.00 0.00 H new ATOM 1366 N PRO A 86 3.131 14.258 -10.717 1.00 0.00 N ATOM 1367 CA PRO A 86 2.174 15.070 -9.942 1.00 0.00 C ATOM 1368 C PRO A 86 1.132 14.270 -9.123 1.00 0.00 C ATOM 1369 O PRO A 86 0.394 14.837 -8.327 1.00 0.00 O ATOM 1370 CB PRO A 86 1.474 15.930 -11.011 1.00 0.00 C ATOM 1371 CG PRO A 86 1.666 15.167 -12.324 1.00 0.00 C ATOM 1372 CD PRO A 86 2.998 14.436 -12.162 1.00 0.00 C ATOM 0 HA PRO A 86 2.705 15.635 -9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.416 16.060 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.913 16.926 -11.066 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.849 14.466 -12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.689 15.846 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.994 13.479 -12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.825 15.018 -12.570 1.00 0.00 H new ATOM 1380 N THR A 87 1.119 12.944 -9.356 1.00 0.00 N ATOM 1381 CA THR A 87 0.228 12.012 -8.665 1.00 0.00 C ATOM 1382 C THR A 87 0.589 10.621 -9.182 1.00 0.00 C ATOM 1383 O THR A 87 1.398 10.483 -10.094 1.00 0.00 O ATOM 1384 CB THR A 87 -1.287 12.224 -8.943 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.254 11.336 -8.296 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.534 12.440 -10.443 1.00 0.00 C ATOM 0 H THR A 87 1.733 12.493 -10.035 1.00 0.00 H new ATOM 0 HA THR A 87 0.368 12.161 -7.594 1.00 0.00 H new ATOM 0 HB THR A 87 -1.520 13.141 -8.401 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.162 11.591 -8.563 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.600 12.587 -10.619 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.986 13.321 -10.779 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.192 11.566 -10.998 1.00 0.00 H new ATOM 1394 N LEU A 88 -0.071 9.596 -8.592 1.00 0.00 N ATOM 1395 CA LEU A 88 0.206 8.258 -9.088 1.00 0.00 C ATOM 1396 C LEU A 88 -0.308 8.123 -10.527 1.00 0.00 C ATOM 1397 O LEU A 88 0.304 7.379 -11.266 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.525 7.101 -8.361 1.00 0.00 C ATOM 1399 CG LEU A 88 0.039 6.546 -7.075 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.390 5.907 -7.221 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.102 7.511 -5.957 1.00 0.00 C ATOM 0 H LEU A 88 -0.746 9.670 -7.831 1.00 0.00 H new ATOM 0 HA LEU A 88 1.283 8.165 -8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.540 7.439 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.604 6.273 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.694 5.779 -6.827 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.723 5.535 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.326 5.078 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.103 6.644 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.520 7.022 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.734 8.353 -6.239 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.902 7.870 -5.730 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.400 8.831 -10.937 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.867 8.498 -12.308 1.00 0.00 C ATOM 1415 C GLN A 89 -0.842 8.728 -13.427 1.00 0.00 C ATOM 1416 O GLN A 89 -0.797 7.967 -14.381 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.282 8.965 -12.692 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.624 10.417 -12.414 1.00 0.00 C ATOM 1419 CD GLN A 89 -2.947 11.478 -13.308 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.361 11.012 -14.421 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -2.984 12.665 -13.019 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.914 9.543 -10.417 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.967 7.416 -12.218 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.423 8.781 -13.757 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.001 8.340 -12.163 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.704 10.535 -12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.367 10.633 -11.377 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.443 12.967 -12.159 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.556 13.354 -13.637 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.020 9.780 -13.264 1.00 0.00 N ATOM 1431 CA ALA A 90 0.979 10.081 -14.291 1.00 0.00 C ATOM 1432 C ALA A 90 2.181 9.102 -14.248 1.00 0.00 C ATOM 1433 O ALA A 90 3.066 9.135 -15.090 1.00 0.00 O ATOM 1434 CB ALA A 90 1.424 11.534 -14.127 1.00 0.00 C ATOM 0 H ALA A 90 -0.028 10.411 -12.462 1.00 0.00 H new ATOM 0 HA ALA A 90 0.528 9.947 -15.274 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.169 11.774 -14.885 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.564 12.193 -14.242 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.857 11.672 -13.136 1.00 0.00 H new ATOM 1440 N LEU A 91 2.135 8.245 -13.216 1.00 0.00 N ATOM 1441 CA LEU A 91 3.087 7.185 -12.934 1.00 0.00 C ATOM 1442 C LEU A 91 2.471 5.852 -13.436 1.00 0.00 C ATOM 1443 O LEU A 91 3.168 4.986 -13.953 1.00 0.00 O ATOM 1444 CB LEU A 91 3.420 7.301 -11.431 1.00 0.00 C ATOM 1445 CG LEU A 91 3.790 6.029 -10.654 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.513 6.402 -9.349 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.526 5.237 -10.312 1.00 0.00 C ATOM 0 H LEU A 91 1.387 8.284 -12.524 1.00 0.00 H new ATOM 0 HA LEU A 91 4.043 7.247 -13.455 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.249 8.002 -11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.559 7.751 -10.936 1.00 0.00 H new ATOM 0 HG LEU A 91 4.446 5.421 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.772 5.494 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.422 6.957 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.859 7.020 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.799 4.337 -9.761 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.866 5.851 -9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.012 4.958 -11.232 1.00 0.00 H new ATOM 1459 N VAL A 92 1.124 5.749 -13.293 1.00 0.00 N ATOM 1460 CA VAL A 92 0.355 4.595 -13.727 1.00 0.00 C ATOM 1461 C VAL A 92 0.092 4.700 -15.259 1.00 0.00 C ATOM 1462 O VAL A 92 -0.373 3.758 -15.886 1.00 0.00 O ATOM 1463 CB VAL A 92 -0.958 4.463 -12.898 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.422 3.025 -12.796 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.874 4.893 -11.427 1.00 0.00 C ATOM 0 H VAL A 92 0.554 6.480 -12.868 1.00 0.00 H new ATOM 0 HA VAL A 92 0.922 3.682 -13.547 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.624 5.122 -13.455 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.340 2.980 -12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.609 2.631 -13.795 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.651 2.428 -12.309 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.846 4.757 -10.952 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.130 4.285 -10.912 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.586 5.943 -11.371 1.00 0.00 H new ATOM 1475 N GLN A 93 0.431 5.902 -15.809 1.00 0.00 N ATOM 1476 CA GLN A 93 0.302 6.208 -17.231 1.00 0.00 C ATOM 1477 C GLN A 93 1.672 5.879 -17.857 1.00 0.00 C ATOM 1478 O GLN A 93 1.793 5.286 -18.926 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.113 7.677 -17.526 1.00 0.00 C ATOM 1480 CG GLN A 93 1.030 8.698 -17.709 1.00 0.00 C ATOM 1481 CD GLN A 93 0.572 10.159 -17.846 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -0.647 10.338 -18.379 1.00 0.00 O flip ATOM 1483 NE2 GLN A 93 1.295 11.076 -17.485 1.00 0.00 N flip ATOM 0 H GLN A 93 0.802 6.677 -15.260 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.505 5.615 -17.661 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.722 7.683 -18.430 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.749 8.021 -16.710 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.706 8.622 -16.857 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.603 8.427 -18.596 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.212 10.876 -17.087 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.981 12.042 -17.582 1.00 0.00 H new ATOM 1492 N HIS A 94 2.694 6.298 -17.056 1.00 0.00 N ATOM 1493 CA HIS A 94 4.101 6.118 -17.384 1.00 0.00 C ATOM 1494 C HIS A 94 4.354 4.654 -17.746 1.00 0.00 C ATOM 1495 O HIS A 94 4.925 4.349 -18.785 1.00 0.00 O ATOM 1496 CB HIS A 94 4.981 6.554 -16.194 1.00 0.00 C ATOM 1497 CG HIS A 94 6.403 6.838 -16.618 1.00 0.00 C ATOM 1498 ND1 HIS A 94 7.471 6.116 -16.217 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.864 7.892 -17.422 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.546 6.714 -16.753 1.00 0.00 C ATOM 1501 NE2 HIS A 94 8.210 7.789 -17.489 1.00 0.00 N ATOM 0 H HIS A 94 2.542 6.770 -16.165 1.00 0.00 H new ATOM 0 HA HIS A 94 4.361 6.740 -18.241 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.554 7.446 -15.735 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.978 5.772 -15.435 1.00 0.00 H new ATOM 0 HD1 HIS A 94 7.462 5.284 -15.626 1.00 0.00 H new ATOM 0 HD2 HIS A 94 6.256 8.646 -17.899 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.561 6.373 -16.610 1.00 0.00 H new ATOM 1509 N TYR A 95 3.851 3.775 -16.844 1.00 0.00 N ATOM 1510 CA TYR A 95 4.029 2.346 -17.080 1.00 0.00 C ATOM 1511 C TYR A 95 2.954 1.741 -17.972 1.00 0.00 C ATOM 1512 O TYR A 95 3.145 0.628 -18.434 1.00 0.00 O ATOM 1513 CB TYR A 95 4.268 1.559 -15.790 1.00 0.00 C ATOM 1514 CG TYR A 95 5.365 2.220 -15.023 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.621 2.380 -15.594 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.116 2.736 -13.764 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.601 3.105 -14.945 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.092 3.446 -13.091 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.334 3.668 -13.692 1.00 0.00 C ATOM 1520 OH TYR A 95 8.277 4.467 -13.069 1.00 0.00 O ATOM 0 H TYR A 95 3.346 4.025 -15.993 1.00 0.00 H new ATOM 0 HA TYR A 95 4.951 2.254 -17.655 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.356 1.526 -15.193 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.536 0.528 -16.020 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.833 1.933 -16.554 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.151 2.583 -13.303 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.570 3.237 -15.403 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.895 3.829 -12.101 1.00 0.00 H new ATOM 0 HH TYR A 95 7.857 5.303 -12.778 1.00 0.00 H new ATOM 1530 N SER A 96 1.842 2.480 -18.234 1.00 0.00 N ATOM 1531 CA SER A 96 0.838 1.908 -19.150 1.00 0.00 C ATOM 1532 C SER A 96 1.417 1.692 -20.568 1.00 0.00 C ATOM 1533 O SER A 96 0.792 1.004 -21.365 1.00 0.00 O ATOM 1534 CB SER A 96 -0.457 2.787 -19.237 1.00 0.00 C ATOM 1535 OG SER A 96 -1.462 2.857 -18.146 1.00 0.00 O ATOM 0 H SER A 96 1.633 3.403 -17.854 1.00 0.00 H new ATOM 0 HA SER A 96 0.564 0.940 -18.730 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.125 3.809 -19.418 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.992 2.463 -20.130 1.00 0.00 H new ATOM 0 HG SER A 96 -1.110 3.402 -17.412 1.00 0.00 H new ATOM 1541 N LYS A 97 2.610 2.281 -20.849 1.00 0.00 N ATOM 1542 CA LYS A 97 3.230 2.095 -22.172 1.00 0.00 C ATOM 1543 C LYS A 97 4.463 1.189 -22.144 1.00 0.00 C ATOM 1544 O LYS A 97 4.553 0.268 -22.948 1.00 0.00 O ATOM 1545 CB LYS A 97 3.534 3.460 -22.824 1.00 0.00 C ATOM 1546 CG LYS A 97 2.305 4.204 -23.381 1.00 0.00 C ATOM 1547 CD LYS A 97 1.211 4.490 -22.343 1.00 0.00 C ATOM 1548 CE LYS A 97 0.213 5.560 -22.788 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.872 5.715 -21.822 1.00 0.00 N ATOM 0 H LYS A 97 3.138 2.865 -20.200 1.00 0.00 H new ATOM 0 HA LYS A 97 2.502 1.571 -22.790 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.022 4.097 -22.087 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.246 3.308 -23.635 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.633 5.149 -23.814 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.875 3.614 -24.191 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.672 3.567 -22.131 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.679 4.806 -21.411 1.00 0.00 H new ATOM 0 HE2 LYS A 97 0.730 6.512 -22.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.200 5.292 -23.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.531 6.448 -22.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.380 4.813 -21.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.479 5.995 -20.901 1.00 0.00 H new ATOM 1563 N LYS A 98 5.392 1.447 -21.207 1.00 0.00 N ATOM 1564 CA LYS A 98 6.570 0.581 -21.154 1.00 0.00 C ATOM 1565 C LYS A 98 6.994 0.382 -19.698 1.00 0.00 C ATOM 1566 O LYS A 98 6.391 0.906 -18.774 1.00 0.00 O ATOM 1567 CB LYS A 98 7.673 0.951 -22.146 1.00 0.00 C ATOM 1568 CG LYS A 98 8.530 2.109 -21.692 1.00 0.00 C ATOM 1569 CD LYS A 98 7.830 3.459 -21.855 1.00 0.00 C ATOM 1570 CE LYS A 98 7.022 3.958 -20.650 1.00 0.00 C ATOM 1571 NZ LYS A 98 7.433 5.285 -20.192 1.00 0.00 N ATOM 0 H LYS A 98 5.355 2.199 -20.519 1.00 0.00 H new ATOM 0 HA LYS A 98 6.299 -0.406 -21.528 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.309 0.081 -22.310 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.219 1.200 -23.105 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.800 1.968 -20.645 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.459 2.114 -22.263 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.584 4.208 -22.094 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.160 3.395 -22.713 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.965 3.983 -20.914 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.129 3.248 -19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 7.130 5.421 -19.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.468 5.367 -20.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.994 6.011 -20.793 1.00 0.00 H new ATOM 1585 N GLY A 99 8.067 -0.417 -19.553 1.00 0.00 N ATOM 1586 CA GLY A 99 8.626 -0.732 -18.242 1.00 0.00 C ATOM 1587 C GLY A 99 9.852 0.142 -18.023 1.00 0.00 C ATOM 1588 O GLY A 99 10.971 -0.307 -17.810 1.00 0.00 O ATOM 0 H GLY A 99 8.559 -0.853 -20.333 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.887 -0.552 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.897 -1.786 -18.188 1.00 0.00 H new ATOM 1592 N ASP A 100 9.502 1.441 -18.083 1.00 0.00 N ATOM 1593 CA ASP A 100 10.440 2.556 -17.951 1.00 0.00 C ATOM 1594 C ASP A 100 10.874 2.832 -16.489 1.00 0.00 C ATOM 1595 O ASP A 100 11.317 3.920 -16.144 1.00 0.00 O ATOM 1596 CB ASP A 100 9.774 3.798 -18.573 1.00 0.00 C ATOM 1597 CG ASP A 100 10.738 4.909 -19.028 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.951 4.749 -18.908 1.00 0.00 O ATOM 1599 OD2 ASP A 100 10.250 5.928 -19.517 1.00 0.00 O ATOM 0 H ASP A 100 8.539 1.743 -18.228 1.00 0.00 H new ATOM 0 HA ASP A 100 11.361 2.298 -18.473 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.183 3.480 -19.432 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.080 4.219 -17.846 1.00 0.00 H new ATOM 1604 N GLY A 101 10.697 1.797 -15.649 1.00 0.00 N ATOM 1605 CA GLY A 101 11.062 1.944 -14.247 1.00 0.00 C ATOM 1606 C GLY A 101 10.756 0.698 -13.409 1.00 0.00 C ATOM 1607 O GLY A 101 11.327 0.516 -12.341 1.00 0.00 O ATOM 0 H GLY A 101 10.318 0.887 -15.911 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.126 2.168 -14.177 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.528 2.796 -13.827 1.00 0.00 H new ATOM 1611 N LEU A 102 9.842 -0.143 -13.946 1.00 0.00 N ATOM 1612 CA LEU A 102 9.421 -1.361 -13.271 1.00 0.00 C ATOM 1613 C LEU A 102 9.872 -2.590 -14.054 1.00 0.00 C ATOM 1614 O LEU A 102 10.151 -2.554 -15.246 1.00 0.00 O ATOM 1615 CB LEU A 102 7.885 -1.386 -13.177 1.00 0.00 C ATOM 1616 CG LEU A 102 7.267 -0.085 -12.652 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.752 -0.223 -12.541 1.00 0.00 C ATOM 1618 CD2 LEU A 102 7.829 0.307 -11.289 1.00 0.00 C ATOM 0 H LEU A 102 9.390 0.013 -14.847 1.00 0.00 H new ATOM 0 HA LEU A 102 9.869 -1.378 -12.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.475 -1.597 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.585 -2.207 -12.525 1.00 0.00 H new ATOM 0 HG LEU A 102 7.521 0.697 -13.367 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.328 0.709 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.334 -0.443 -13.523 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.510 -1.033 -11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.363 1.234 -10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.620 -0.483 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.907 0.451 -11.367 1.00 0.00 H new ATOM 1630 N CYS A 103 9.876 -3.684 -13.271 1.00 0.00 N ATOM 1631 CA CYS A 103 10.233 -5.014 -13.748 1.00 0.00 C ATOM 1632 C CYS A 103 8.972 -5.771 -14.225 1.00 0.00 C ATOM 1633 O CYS A 103 8.626 -6.843 -13.747 1.00 0.00 O ATOM 1634 CB CYS A 103 11.000 -5.778 -12.661 1.00 0.00 C ATOM 1635 SG CYS A 103 10.126 -5.968 -11.091 1.00 0.00 S ATOM 0 H CYS A 103 9.628 -3.660 -12.282 1.00 0.00 H new ATOM 0 HA CYS A 103 10.896 -4.925 -14.608 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.248 -6.768 -13.042 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.942 -5.263 -12.474 1.00 0.00 H new ATOM 0 HG CYS A 103 9.645 -4.818 -10.720 1.00 0.00 H new ATOM 1641 N GLN A 104 8.337 -5.081 -15.203 1.00 0.00 N ATOM 1642 CA GLN A 104 7.138 -5.439 -15.953 1.00 0.00 C ATOM 1643 C GLN A 104 6.164 -4.275 -15.833 1.00 0.00 C ATOM 1644 O GLN A 104 5.800 -3.814 -14.758 1.00 0.00 O ATOM 1645 CB GLN A 104 6.444 -6.776 -15.612 1.00 0.00 C ATOM 1646 CG GLN A 104 7.177 -8.022 -16.157 1.00 0.00 C ATOM 1647 CD GLN A 104 7.311 -7.968 -17.688 1.00 0.00 C ATOM 1648 OE1 GLN A 104 8.324 -7.541 -18.225 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.229 -8.399 -18.354 1.00 0.00 N ATOM 0 H GLN A 104 8.697 -4.176 -15.505 1.00 0.00 H new ATOM 0 HA GLN A 104 7.473 -5.620 -16.974 1.00 0.00 H new ATOM 0 HB2 GLN A 104 6.358 -6.863 -14.529 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.430 -6.760 -16.012 1.00 0.00 H new ATOM 0 HG2 GLN A 104 8.167 -8.090 -15.706 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.633 -8.921 -15.869 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.417 -8.743 -17.841 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.218 -8.383 -19.374 1.00 0.00 H new ATOM 1658 N LYS A 105 5.792 -3.856 -17.059 1.00 0.00 N ATOM 1659 CA LYS A 105 4.896 -2.748 -17.274 1.00 0.00 C ATOM 1660 C LYS A 105 3.429 -3.159 -17.062 1.00 0.00 C ATOM 1661 O LYS A 105 3.069 -4.322 -16.928 1.00 0.00 O ATOM 1662 CB LYS A 105 5.267 -2.060 -18.593 1.00 0.00 C ATOM 1663 CG LYS A 105 4.959 -2.729 -19.947 1.00 0.00 C ATOM 1664 CD LYS A 105 3.492 -2.848 -20.313 1.00 0.00 C ATOM 1665 CE LYS A 105 2.902 -1.459 -20.515 1.00 0.00 C ATOM 1666 NZ LYS A 105 2.030 -1.433 -21.681 1.00 0.00 N ATOM 0 H LYS A 105 6.118 -4.293 -17.921 1.00 0.00 H new ATOM 0 HA LYS A 105 5.015 -1.973 -16.517 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.774 -1.088 -18.597 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.340 -1.873 -18.565 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.464 -2.165 -20.731 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.394 -3.728 -19.943 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.380 -3.437 -21.223 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.952 -3.373 -19.525 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.340 -1.165 -19.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.705 -0.732 -20.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.625 -0.481 -21.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.579 -1.676 -22.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.262 -2.123 -21.556 1.00 0.00 H new ATOM 1680 N LEU A 106 2.636 -2.078 -17.037 1.00 0.00 N ATOM 1681 CA LEU A 106 1.201 -2.131 -16.798 1.00 0.00 C ATOM 1682 C LEU A 106 0.377 -2.739 -17.942 1.00 0.00 C ATOM 1683 O LEU A 106 0.627 -2.554 -19.124 1.00 0.00 O ATOM 1684 CB LEU A 106 0.731 -0.707 -16.455 1.00 0.00 C ATOM 1685 CG LEU A 106 1.197 -0.294 -15.059 1.00 0.00 C ATOM 1686 CD1 LEU A 106 0.915 1.161 -14.682 1.00 0.00 C ATOM 1687 CD2 LEU A 106 0.533 -1.224 -14.069 1.00 0.00 C ATOM 0 H LEU A 106 2.987 -1.132 -17.185 1.00 0.00 H new ATOM 0 HA LEU A 106 1.027 -2.816 -15.968 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.119 -0.005 -17.193 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.357 -0.657 -16.508 1.00 0.00 H new ATOM 0 HG LEU A 106 2.284 -0.371 -15.045 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.283 1.354 -13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.419 1.823 -15.386 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.159 1.344 -14.717 1.00 0.00 H new ATOM 0 HD21 LEU A 106 0.842 -0.960 -13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.550 -1.132 -14.153 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.827 -2.252 -14.281 1.00 0.00 H new ATOM 1699 N THR A 107 -0.641 -3.488 -17.474 1.00 0.00 N ATOM 1700 CA THR A 107 -1.576 -4.141 -18.382 1.00 0.00 C ATOM 1701 C THR A 107 -2.987 -3.705 -18.038 1.00 0.00 C ATOM 1702 O THR A 107 -3.587 -2.872 -18.704 1.00 0.00 O ATOM 1703 CB THR A 107 -1.416 -5.695 -18.408 1.00 0.00 C ATOM 1704 OG1 THR A 107 -2.025 -6.563 -17.392 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.075 -6.032 -18.631 1.00 0.00 C ATOM 0 H THR A 107 -0.827 -3.648 -16.484 1.00 0.00 H new ATOM 0 HA THR A 107 -1.348 -3.824 -19.400 1.00 0.00 H new ATOM 0 HB THR A 107 -2.073 -5.967 -19.235 1.00 0.00 H new ATOM 0 HG1 THR A 107 -1.350 -7.181 -17.042 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.204 -7.114 -18.652 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.406 -5.609 -19.579 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.668 -5.611 -17.819 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.455 -4.327 -16.939 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.798 -4.080 -16.451 1.00 0.00 C ATOM 1715 C LEU A 108 -4.791 -4.312 -14.938 1.00 0.00 C ATOM 1716 O LEU A 108 -4.364 -5.373 -14.517 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.761 -5.137 -17.034 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.685 -5.358 -18.550 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -6.230 -6.734 -18.928 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.404 -4.233 -19.297 1.00 0.00 C ATOM 0 H LEU A 108 -2.918 -4.996 -16.386 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.106 -3.071 -16.726 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.566 -6.088 -16.539 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.781 -4.848 -16.780 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.638 -5.332 -18.852 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.165 -6.867 -20.008 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.643 -7.507 -18.432 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.271 -6.812 -18.615 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.338 -4.409 -20.371 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.452 -4.208 -18.997 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.935 -3.279 -19.056 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.273 -3.336 -14.125 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.329 -3.497 -12.671 1.00 0.00 C ATOM 1734 C PRO A 109 -6.419 -4.522 -12.324 1.00 0.00 C ATOM 1735 O PRO A 109 -7.429 -4.615 -13.011 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.639 -2.096 -12.148 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.387 -1.415 -13.302 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.841 -2.071 -14.580 1.00 0.00 C ATOM 0 HA PRO A 109 -4.410 -3.876 -12.224 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.250 -2.135 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.727 -1.556 -11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.464 -1.561 -13.214 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -6.210 -0.339 -13.305 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.632 -2.231 -15.313 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.086 -1.445 -15.057 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.120 -5.305 -11.264 1.00 0.00 N ATOM 1747 CA CYS A 110 -7.003 -6.367 -10.768 1.00 0.00 C ATOM 1748 C CYS A 110 -8.514 -6.018 -10.806 1.00 0.00 C ATOM 1749 O CYS A 110 -8.910 -4.861 -10.764 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.571 -6.752 -9.350 1.00 0.00 C ATOM 1751 SG CYS A 110 -7.393 -8.224 -8.689 1.00 0.00 S ATOM 0 H CYS A 110 -5.255 -5.212 -10.731 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.894 -7.211 -11.450 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -5.494 -6.919 -9.345 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -6.766 -5.912 -8.683 1.00 0.00 H new ATOM 0 HG CYS A 110 -8.664 -7.988 -8.556 1.00 0.00 H new ATOM 1757 N VAL A 111 -9.332 -7.084 -10.891 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.783 -6.897 -10.909 1.00 0.00 C ATOM 1759 C VAL A 111 -11.251 -6.658 -9.460 1.00 0.00 C ATOM 1760 O VAL A 111 -10.652 -7.161 -8.516 1.00 0.00 O ATOM 1761 CB VAL A 111 -11.474 -8.125 -11.538 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -11.089 -8.286 -13.015 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -11.174 -9.423 -10.772 1.00 0.00 C ATOM 0 H VAL A 111 -9.019 -8.053 -10.946 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.052 -6.035 -11.520 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.546 -7.941 -11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.592 -9.160 -13.429 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -11.391 -7.397 -13.569 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.010 -8.416 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -11.684 -10.257 -11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.099 -9.605 -10.772 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.526 -9.329 -9.745 1.00 0.00 H new ATOM 1773 N ASN A 112 -12.342 -5.866 -9.341 1.00 0.00 N ATOM 1774 CA ASN A 112 -12.894 -5.551 -8.021 1.00 0.00 C ATOM 1775 C ASN A 112 -13.442 -6.822 -7.334 1.00 0.00 C ATOM 1776 O ASN A 112 -14.388 -7.458 -7.781 1.00 0.00 O ATOM 1777 CB ASN A 112 -13.989 -4.479 -8.146 1.00 0.00 C ATOM 1778 CG ASN A 112 -13.384 -3.140 -8.588 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -12.208 -2.872 -8.386 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -14.249 -2.325 -9.210 1.00 0.00 N ATOM 0 H ASN A 112 -12.840 -5.447 -10.126 1.00 0.00 H new ATOM 0 HA ASN A 112 -12.093 -5.156 -7.397 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -14.740 -4.801 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -14.497 -4.357 -7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.938 -1.415 -9.549 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -15.218 -2.616 -9.344 1.00 0.00 H new ATOM 1787 N LEU A 113 -12.751 -7.116 -6.215 1.00 0.00 N ATOM 1788 CA LEU A 113 -13.016 -8.270 -5.367 1.00 0.00 C ATOM 1789 C LEU A 113 -12.399 -8.009 -3.981 1.00 0.00 C ATOM 1790 O LEU A 113 -11.302 -7.479 -3.872 1.00 0.00 O ATOM 1791 CB LEU A 113 -12.390 -9.497 -6.056 1.00 0.00 C ATOM 1792 CG LEU A 113 -12.531 -10.823 -5.282 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -12.800 -11.989 -6.242 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -11.279 -11.125 -4.448 1.00 0.00 C ATOM 0 H LEU A 113 -11.980 -6.540 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.082 -8.448 -5.228 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -12.848 -9.617 -7.038 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -11.330 -9.301 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 113 -13.378 -10.711 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -12.896 -12.914 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -13.723 -11.803 -6.791 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.972 -12.080 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.414 -12.067 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.413 -11.201 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -11.119 -10.322 -3.729 1.00 0.00 H new ATOM 1806 N ALA A 114 -13.161 -8.399 -2.936 1.00 0.00 N ATOM 1807 CA ALA A 114 -12.699 -8.194 -1.560 1.00 0.00 C ATOM 1808 C ALA A 114 -11.442 -9.043 -1.231 1.00 0.00 C ATOM 1809 O ALA A 114 -11.541 -10.270 -1.192 1.00 0.00 O ATOM 1810 CB ALA A 114 -13.851 -8.504 -0.594 1.00 0.00 C ATOM 1811 OXT ALA A 114 -10.376 -8.465 -1.016 1.00 0.00 O ATOM 0 H ALA A 114 -14.074 -8.845 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.399 -7.152 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -13.516 -8.354 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.690 -7.840 -0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.167 -9.539 -0.725 1.00 0.00 H new TER 1817 ALA A 114