USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 GLN : amide:sc= -7.17! C(o=-12!,f=-22!) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -5.06! C(o=-12!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.116 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.608 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 37 GLN : amide:sc= -0.0169 K(o=-0.017,f=-0.96) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN :FLIP amide:sc= -1.95 F(o=-7.4!,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.337 K(o=-0.34,f=-8.6!) USER MOD Single : A 55 GLN : amide:sc= -1.68! C(o=-1.7!,f=-4.1!) USER MOD Single : A 63 TYR OH : rot 50:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.4 F(o=-3.9!,f=-1.4) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-3.4!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -98:sc= 1.09 USER MOD Single : A 92 CYS SG : rot 180:sc= -1.55 USER MOD Single : A 96 GLN : amide:sc= -0.74 K(o=-0.74,f=-2.5!) USER MOD Single : A 98 SER OG : rot -150:sc= -0.355 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.3) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0308 USER MOD Single : A 111 SER OG : rot -82:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.371 20.659 4.321 1.00 0.00 N ATOM 2 CA GLY A 1 -9.198 19.587 4.844 1.00 0.00 C ATOM 3 C GLY A 1 -10.130 19.009 3.798 1.00 0.00 C ATOM 4 O GLY A 1 -11.087 19.662 3.380 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.752 21.020 5.075 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.789 20.298 3.538 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.979 21.428 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.558 18.795 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.786 19.962 5.682 1.00 0.00 H new ATOM 8 N SER A 2 -9.850 17.782 3.371 1.00 0.00 N ATOM 9 CA SER A 2 -10.667 17.119 2.362 1.00 0.00 C ATOM 10 C SER A 2 -12.141 17.142 2.755 1.00 0.00 C ATOM 11 O SER A 2 -12.493 17.554 3.860 1.00 0.00 O ATOM 12 CB SER A 2 -10.202 15.674 2.167 1.00 0.00 C ATOM 13 OG SER A 2 -9.201 15.591 1.168 1.00 0.00 O ATOM 0 H SER A 2 -9.063 17.227 3.708 1.00 0.00 H new ATOM 0 HA SER A 2 -10.551 17.660 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.814 15.283 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.051 15.050 1.888 1.00 0.00 H new ATOM 0 HG SER A 2 -8.920 14.658 1.064 1.00 0.00 H new ATOM 19 N SER A 3 -12.998 16.698 1.842 1.00 0.00 N ATOM 20 CA SER A 3 -14.435 16.671 2.090 1.00 0.00 C ATOM 21 C SER A 3 -14.762 15.781 3.285 1.00 0.00 C ATOM 22 O SER A 3 -13.942 14.970 3.713 1.00 0.00 O ATOM 23 CB SER A 3 -15.179 16.173 0.850 1.00 0.00 C ATOM 24 OG SER A 3 -16.579 16.154 1.068 1.00 0.00 O ATOM 0 H SER A 3 -12.722 16.352 0.923 1.00 0.00 H new ATOM 0 HA SER A 3 -14.759 17.687 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.949 16.817 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.834 15.171 0.593 1.00 0.00 H new ATOM 0 HG SER A 3 -17.032 15.834 0.260 1.00 0.00 H new ATOM 30 N GLY A 4 -15.970 15.939 3.820 1.00 0.00 N ATOM 31 CA GLY A 4 -16.386 15.144 4.960 1.00 0.00 C ATOM 32 C GLY A 4 -16.357 13.656 4.671 1.00 0.00 C ATOM 33 O GLY A 4 -16.350 13.242 3.512 1.00 0.00 O ATOM 0 H GLY A 4 -16.667 16.603 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.734 15.359 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.395 15.434 5.253 1.00 0.00 H new ATOM 37 N SER A 5 -16.340 12.850 5.728 1.00 0.00 N ATOM 38 CA SER A 5 -16.306 11.399 5.582 1.00 0.00 C ATOM 39 C SER A 5 -17.503 10.756 6.275 1.00 0.00 C ATOM 40 O SER A 5 -17.840 11.103 7.407 1.00 0.00 O ATOM 41 CB SER A 5 -15.006 10.838 6.160 1.00 0.00 C ATOM 42 OG SER A 5 -14.876 11.163 7.534 1.00 0.00 O ATOM 0 H SER A 5 -16.349 13.177 6.694 1.00 0.00 H new ATOM 0 HA SER A 5 -16.354 11.164 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.987 9.755 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.156 11.238 5.607 1.00 0.00 H new ATOM 0 HG SER A 5 -14.038 10.792 7.880 1.00 0.00 H new ATOM 48 N SER A 6 -18.143 9.816 5.586 1.00 0.00 N ATOM 49 CA SER A 6 -19.305 9.125 6.132 1.00 0.00 C ATOM 50 C SER A 6 -19.486 7.761 5.473 1.00 0.00 C ATOM 51 O SER A 6 -19.780 7.669 4.282 1.00 0.00 O ATOM 52 CB SER A 6 -20.565 9.970 5.936 1.00 0.00 C ATOM 53 OG SER A 6 -20.801 10.222 4.562 1.00 0.00 O ATOM 0 H SER A 6 -17.876 9.516 4.648 1.00 0.00 H new ATOM 0 HA SER A 6 -19.139 8.974 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 6 -21.423 9.454 6.367 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.460 10.915 6.469 1.00 0.00 H new ATOM 0 HG SER A 6 -20.486 9.461 4.031 1.00 0.00 H new ATOM 59 N GLY A 7 -19.307 6.703 6.258 1.00 0.00 N ATOM 60 CA GLY A 7 -19.454 5.358 5.734 1.00 0.00 C ATOM 61 C GLY A 7 -18.693 4.332 6.550 1.00 0.00 C ATOM 62 O GLY A 7 -17.801 4.680 7.324 1.00 0.00 O ATOM 0 H GLY A 7 -19.063 6.753 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.511 5.092 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.101 5.332 4.703 1.00 0.00 H new ATOM 66 N THR A 8 -19.045 3.061 6.378 1.00 0.00 N ATOM 67 CA THR A 8 -18.391 1.982 7.106 1.00 0.00 C ATOM 68 C THR A 8 -18.524 0.657 6.363 1.00 0.00 C ATOM 69 O THR A 8 -19.463 0.460 5.591 1.00 0.00 O ATOM 70 CB THR A 8 -18.976 1.823 8.522 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.378 1.540 8.444 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.754 3.084 9.343 1.00 0.00 C ATOM 0 H THR A 8 -19.780 2.755 5.740 1.00 0.00 H new ATOM 0 HA THR A 8 -17.337 2.248 7.184 1.00 0.00 H new ATOM 0 HB THR A 8 -18.465 0.994 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 8 -20.742 1.439 9.348 1.00 0.00 H new ATOM 0 HG21 THR A 8 -19.175 2.949 10.339 1.00 0.00 H new ATOM 0 HG22 THR A 8 -17.685 3.281 9.425 1.00 0.00 H new ATOM 0 HG23 THR A 8 -19.242 3.927 8.854 1.00 0.00 H new ATOM 80 N ALA A 9 -17.580 -0.247 6.600 1.00 0.00 N ATOM 81 CA ALA A 9 -17.594 -1.554 5.954 1.00 0.00 C ATOM 82 C ALA A 9 -17.013 -2.625 6.871 1.00 0.00 C ATOM 83 O ALA A 9 -16.494 -2.321 7.945 1.00 0.00 O ATOM 84 CB ALA A 9 -16.823 -1.503 4.644 1.00 0.00 C ATOM 0 H ALA A 9 -16.795 -0.099 7.235 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.630 -1.817 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.842 -2.486 4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.284 -0.772 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.790 -1.214 4.841 1.00 0.00 H new ATOM 90 N ARG A 10 -17.106 -3.879 6.441 1.00 0.00 N ATOM 91 CA ARG A 10 -16.591 -4.996 7.224 1.00 0.00 C ATOM 92 C ARG A 10 -15.530 -5.764 6.443 1.00 0.00 C ATOM 93 O ARG A 10 -15.694 -6.036 5.253 1.00 0.00 O ATOM 94 CB ARG A 10 -17.730 -5.937 7.619 1.00 0.00 C ATOM 95 CG ARG A 10 -18.734 -5.311 8.574 1.00 0.00 C ATOM 96 CD ARG A 10 -19.364 -6.355 9.483 1.00 0.00 C ATOM 97 NE ARG A 10 -20.612 -5.883 10.076 1.00 0.00 N ATOM 98 CZ ARG A 10 -21.187 -6.452 11.130 1.00 0.00 C ATOM 99 NH1 ARG A 10 -20.628 -7.509 11.703 1.00 0.00 N ATOM 100 NH2 ARG A 10 -22.323 -5.964 11.612 1.00 0.00 N ATOM 0 H ARG A 10 -17.533 -4.147 5.554 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.132 -4.593 8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.251 -6.261 6.718 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -17.309 -6.829 8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -18.238 -4.552 9.179 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.513 -4.805 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.555 -7.264 8.913 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -18.662 -6.617 10.275 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.068 -5.072 9.658 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.755 -7.887 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.071 -7.944 12.512 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.756 -5.151 11.173 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.763 -6.402 12.421 1.00 0.00 H new ATOM 114 N LEU A 11 -14.441 -6.112 7.120 1.00 0.00 N ATOM 115 CA LEU A 11 -13.351 -6.850 6.489 1.00 0.00 C ATOM 116 C LEU A 11 -13.790 -8.264 6.125 1.00 0.00 C ATOM 117 O LEU A 11 -14.435 -8.949 6.918 1.00 0.00 O ATOM 118 CB LEU A 11 -12.140 -6.904 7.422 1.00 0.00 C ATOM 119 CG LEU A 11 -10.834 -7.398 6.798 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.474 -6.561 5.580 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.708 -7.367 7.821 1.00 0.00 C ATOM 0 H LEU A 11 -14.289 -5.895 8.105 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.074 -6.329 5.573 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.972 -5.905 7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.384 -7.551 8.265 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.976 -8.429 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.542 -6.927 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.270 -6.636 4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.352 -5.520 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.787 -7.722 7.359 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.566 -6.346 8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.963 -8.011 8.663 1.00 0.00 H new ATOM 133 N VAL A 12 -13.435 -8.696 4.919 1.00 0.00 N ATOM 134 CA VAL A 12 -13.789 -10.030 4.450 1.00 0.00 C ATOM 135 C VAL A 12 -12.543 -10.860 4.160 1.00 0.00 C ATOM 136 O VAL A 12 -12.474 -12.038 4.510 1.00 0.00 O ATOM 137 CB VAL A 12 -14.656 -9.966 3.178 1.00 0.00 C ATOM 138 CG1 VAL A 12 -15.083 -11.362 2.752 1.00 0.00 C ATOM 139 CG2 VAL A 12 -15.869 -9.076 3.405 1.00 0.00 C ATOM 0 H VAL A 12 -12.902 -8.141 4.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.361 -10.504 5.248 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.060 -9.533 2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.695 -11.297 1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.199 -11.966 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -15.662 -11.825 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.470 -9.042 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.468 -9.479 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.539 -8.069 3.659 1.00 0.00 H new ATOM 149 N ALA A 13 -11.560 -10.237 3.519 1.00 0.00 N ATOM 150 CA ALA A 13 -10.314 -10.917 3.185 1.00 0.00 C ATOM 151 C ALA A 13 -9.107 -10.044 3.513 1.00 0.00 C ATOM 152 O ALA A 13 -8.510 -9.435 2.626 1.00 0.00 O ATOM 153 CB ALA A 13 -10.304 -11.305 1.714 1.00 0.00 C ATOM 0 H ALA A 13 -11.602 -9.263 3.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.249 -11.822 3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.368 -11.812 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.140 -11.973 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.396 -10.409 1.101 1.00 0.00 H new ATOM 159 N GLY A 14 -8.754 -9.988 4.793 1.00 0.00 N ATOM 160 CA GLY A 14 -7.620 -9.186 5.215 1.00 0.00 C ATOM 161 C GLY A 14 -6.451 -9.285 4.255 1.00 0.00 C ATOM 162 O GLY A 14 -6.387 -10.202 3.435 1.00 0.00 O ATOM 0 H GLY A 14 -9.233 -10.483 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.928 -8.144 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.300 -9.507 6.206 1.00 0.00 H new ATOM 166 N LEU A 15 -5.525 -8.338 4.354 1.00 0.00 N ATOM 167 CA LEU A 15 -4.352 -8.321 3.486 1.00 0.00 C ATOM 168 C LEU A 15 -3.471 -9.540 3.737 1.00 0.00 C ATOM 169 O LEU A 15 -3.794 -10.391 4.565 1.00 0.00 O ATOM 170 CB LEU A 15 -3.546 -7.040 3.710 1.00 0.00 C ATOM 171 CG LEU A 15 -4.221 -5.738 3.279 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.758 -4.582 4.151 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.936 -5.449 1.812 1.00 0.00 C ATOM 0 H LEU A 15 -5.563 -7.572 5.026 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.695 -8.351 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.305 -6.967 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.601 -7.131 3.174 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.298 -5.852 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.249 -3.664 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.014 -4.785 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.678 -4.467 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.424 -4.518 1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.860 -5.356 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.319 -6.265 1.199 1.00 0.00 H new ATOM 185 N GLU A 16 -2.357 -9.617 3.016 1.00 0.00 N ATOM 186 CA GLU A 16 -1.429 -10.732 3.163 1.00 0.00 C ATOM 187 C GLU A 16 0.015 -10.262 3.012 1.00 0.00 C ATOM 188 O GLU A 16 0.286 -9.256 2.357 1.00 0.00 O ATOM 189 CB GLU A 16 -1.734 -11.818 2.128 1.00 0.00 C ATOM 190 CG GLU A 16 -1.407 -11.408 0.702 1.00 0.00 C ATOM 191 CD GLU A 16 -1.774 -12.476 -0.311 1.00 0.00 C ATOM 192 OE1 GLU A 16 -2.955 -12.531 -0.713 1.00 0.00 O ATOM 193 OE2 GLU A 16 -0.881 -13.256 -0.700 1.00 0.00 O ATOM 0 H GLU A 16 -2.075 -8.921 2.325 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.555 -11.147 4.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.168 -12.716 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.790 -12.080 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.938 -10.487 0.462 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.342 -11.191 0.626 1.00 0.00 H new ATOM 200 N ASP A 17 0.937 -10.997 3.624 1.00 0.00 N ATOM 201 CA ASP A 17 2.354 -10.657 3.558 1.00 0.00 C ATOM 202 C ASP A 17 2.906 -10.896 2.156 1.00 0.00 C ATOM 203 O ASP A 17 2.393 -11.729 1.409 1.00 0.00 O ATOM 204 CB ASP A 17 3.145 -11.477 4.578 1.00 0.00 C ATOM 205 CG ASP A 17 3.445 -12.880 4.086 1.00 0.00 C ATOM 206 OD1 ASP A 17 2.635 -13.420 3.303 1.00 0.00 O ATOM 207 OD2 ASP A 17 4.489 -13.437 4.483 1.00 0.00 O ATOM 0 H ASP A 17 0.729 -11.832 4.171 1.00 0.00 H new ATOM 0 HA ASP A 17 2.460 -9.598 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.081 -10.966 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.581 -11.534 5.509 1.00 0.00 H new ATOM 212 N VAL A 18 3.954 -10.158 1.805 1.00 0.00 N ATOM 213 CA VAL A 18 4.576 -10.290 0.493 1.00 0.00 C ATOM 214 C VAL A 18 6.085 -10.087 0.577 1.00 0.00 C ATOM 215 O VAL A 18 6.574 -9.347 1.429 1.00 0.00 O ATOM 216 CB VAL A 18 3.989 -9.280 -0.511 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.817 -9.251 -1.786 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.536 -9.615 -0.815 1.00 0.00 C ATOM 0 H VAL A 18 4.390 -9.463 2.411 1.00 0.00 H new ATOM 0 HA VAL A 18 4.367 -11.301 0.144 1.00 0.00 H new ATOM 0 HB VAL A 18 4.023 -8.287 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.387 -8.532 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.840 -8.959 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.819 -10.241 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.137 -8.892 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.475 -10.616 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.954 -9.578 0.106 1.00 0.00 H new ATOM 228 N GLN A 19 6.816 -10.749 -0.314 1.00 0.00 N ATOM 229 CA GLN A 19 8.270 -10.641 -0.340 1.00 0.00 C ATOM 230 C GLN A 19 8.789 -10.626 -1.774 1.00 0.00 C ATOM 231 O GLN A 19 8.511 -11.536 -2.555 1.00 0.00 O ATOM 232 CB GLN A 19 8.902 -11.801 0.432 1.00 0.00 C ATOM 233 CG GLN A 19 9.136 -13.040 -0.416 1.00 0.00 C ATOM 234 CD GLN A 19 9.576 -14.236 0.406 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.792 -14.802 1.168 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.836 -14.626 0.255 1.00 0.00 N ATOM 0 H GLN A 19 6.426 -11.365 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 19 8.548 -9.701 0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.853 -11.472 0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.257 -12.062 1.271 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.219 -13.289 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.894 -12.823 -1.169 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.451 -14.127 -0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.189 -15.425 0.782 1.00 0.00 H new ATOM 245 N VAL A 20 9.545 -9.587 -2.113 1.00 0.00 N ATOM 246 CA VAL A 20 10.104 -9.453 -3.453 1.00 0.00 C ATOM 247 C VAL A 20 11.532 -8.922 -3.403 1.00 0.00 C ATOM 248 O VAL A 20 11.967 -8.376 -2.388 1.00 0.00 O ATOM 249 CB VAL A 20 9.250 -8.515 -4.327 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.850 -9.082 -4.509 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.194 -7.123 -3.716 1.00 0.00 C ATOM 0 H VAL A 20 9.785 -8.825 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 20 10.105 -10.449 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 20 9.716 -8.438 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.261 -8.406 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.912 -10.057 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.372 -9.190 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.587 -6.473 -4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.752 -7.180 -2.721 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.203 -6.717 -3.642 1.00 0.00 H new ATOM 261 N TYR A 21 12.258 -9.086 -4.503 1.00 0.00 N ATOM 262 CA TYR A 21 13.638 -8.625 -4.584 1.00 0.00 C ATOM 263 C TYR A 21 13.697 -7.134 -4.903 1.00 0.00 C ATOM 264 O TYR A 21 12.681 -6.516 -5.222 1.00 0.00 O ATOM 265 CB TYR A 21 14.401 -9.416 -5.648 1.00 0.00 C ATOM 266 CG TYR A 21 14.845 -10.785 -5.183 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.943 -11.668 -4.602 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.165 -11.194 -5.324 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.344 -12.919 -4.174 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.574 -12.444 -4.901 1.00 0.00 C ATOM 271 CZ TYR A 21 15.660 -13.303 -4.327 1.00 0.00 C ATOM 272 OH TYR A 21 16.064 -14.548 -3.903 1.00 0.00 O ATOM 0 H TYR A 21 11.913 -9.535 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 21 14.106 -8.789 -3.613 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.768 -9.528 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.277 -8.844 -5.955 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.911 -11.371 -4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.884 -10.524 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.631 -13.593 -3.722 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.604 -12.747 -5.019 1.00 0.00 H new ATOM 0 HH TYR A 21 17.020 -14.661 -4.085 1.00 0.00 H new ATOM 282 N ASP A 22 14.894 -6.564 -4.816 1.00 0.00 N ATOM 283 CA ASP A 22 15.087 -5.146 -5.097 1.00 0.00 C ATOM 284 C ASP A 22 14.608 -4.800 -6.503 1.00 0.00 C ATOM 285 O ASP A 22 14.783 -5.580 -7.439 1.00 0.00 O ATOM 286 CB ASP A 22 16.562 -4.770 -4.940 1.00 0.00 C ATOM 287 CG ASP A 22 17.348 -4.962 -6.222 1.00 0.00 C ATOM 288 OD1 ASP A 22 17.753 -6.108 -6.503 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.558 -3.964 -6.944 1.00 0.00 O ATOM 0 H ASP A 22 15.745 -7.062 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 22 14.496 -4.575 -4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.637 -3.730 -4.624 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.006 -5.376 -4.151 1.00 0.00 H new ATOM 294 N GLY A 23 14.002 -3.625 -6.645 1.00 0.00 N ATOM 295 CA GLY A 23 13.506 -3.198 -7.940 1.00 0.00 C ATOM 296 C GLY A 23 12.145 -3.782 -8.261 1.00 0.00 C ATOM 297 O GLY A 23 11.292 -3.105 -8.834 1.00 0.00 O ATOM 0 H GLY A 23 13.846 -2.961 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.445 -2.110 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.216 -3.493 -8.713 1.00 0.00 H new ATOM 301 N GLU A 24 11.942 -5.043 -7.892 1.00 0.00 N ATOM 302 CA GLU A 24 10.675 -5.718 -8.148 1.00 0.00 C ATOM 303 C GLU A 24 9.499 -4.863 -7.684 1.00 0.00 C ATOM 304 O GLU A 24 9.687 -3.791 -7.109 1.00 0.00 O ATOM 305 CB GLU A 24 10.643 -7.075 -7.440 1.00 0.00 C ATOM 306 CG GLU A 24 11.770 -8.005 -7.857 1.00 0.00 C ATOM 307 CD GLU A 24 11.777 -8.283 -9.347 1.00 0.00 C ATOM 308 OE1 GLU A 24 10.705 -8.614 -9.895 1.00 0.00 O ATOM 309 OE2 GLU A 24 12.855 -8.168 -9.966 1.00 0.00 O ATOM 0 H GLU A 24 12.638 -5.617 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 24 10.587 -5.874 -9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.695 -6.915 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.688 -7.560 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.725 -7.564 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.678 -8.947 -7.316 1.00 0.00 H new ATOM 316 N ASP A 25 8.288 -5.345 -7.939 1.00 0.00 N ATOM 317 CA ASP A 25 7.081 -4.626 -7.548 1.00 0.00 C ATOM 318 C ASP A 25 6.232 -5.465 -6.598 1.00 0.00 C ATOM 319 O ASP A 25 5.986 -6.644 -6.847 1.00 0.00 O ATOM 320 CB ASP A 25 6.263 -4.249 -8.785 1.00 0.00 C ATOM 321 CG ASP A 25 6.053 -5.424 -9.720 1.00 0.00 C ATOM 322 OD1 ASP A 25 5.224 -6.300 -9.395 1.00 0.00 O ATOM 323 OD2 ASP A 25 6.717 -5.467 -10.776 1.00 0.00 O ATOM 0 H ASP A 25 8.116 -6.231 -8.415 1.00 0.00 H new ATOM 0 HA ASP A 25 7.382 -3.716 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.294 -3.860 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.770 -3.447 -9.322 1.00 0.00 H new ATOM 328 N ALA A 26 5.789 -4.848 -5.508 1.00 0.00 N ATOM 329 CA ALA A 26 4.967 -5.537 -4.520 1.00 0.00 C ATOM 330 C ALA A 26 3.487 -5.246 -4.739 1.00 0.00 C ATOM 331 O ALA A 26 3.125 -4.241 -5.350 1.00 0.00 O ATOM 332 CB ALA A 26 5.384 -5.134 -3.113 1.00 0.00 C ATOM 0 H ALA A 26 5.985 -3.872 -5.286 1.00 0.00 H new ATOM 0 HA ALA A 26 5.121 -6.609 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.762 -5.656 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 26 6.429 -5.399 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.260 -4.058 -2.991 1.00 0.00 H new ATOM 338 N VAL A 27 2.634 -6.134 -4.237 1.00 0.00 N ATOM 339 CA VAL A 27 1.191 -5.972 -4.378 1.00 0.00 C ATOM 340 C VAL A 27 0.473 -6.293 -3.072 1.00 0.00 C ATOM 341 O VAL A 27 0.796 -7.271 -2.397 1.00 0.00 O ATOM 342 CB VAL A 27 0.632 -6.874 -5.494 1.00 0.00 C ATOM 343 CG1 VAL A 27 -0.862 -6.643 -5.669 1.00 0.00 C ATOM 344 CG2 VAL A 27 1.374 -6.628 -6.799 1.00 0.00 C ATOM 0 H VAL A 27 2.917 -6.972 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 27 1.013 -4.929 -4.641 1.00 0.00 H new ATOM 0 HB VAL A 27 0.784 -7.915 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.240 -7.289 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.377 -6.874 -4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.040 -5.601 -5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.966 -7.274 -7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.256 -5.585 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.433 -6.848 -6.663 1.00 0.00 H new ATOM 354 N PHE A 28 -0.505 -5.464 -2.722 1.00 0.00 N ATOM 355 CA PHE A 28 -1.270 -5.659 -1.496 1.00 0.00 C ATOM 356 C PHE A 28 -2.726 -5.245 -1.692 1.00 0.00 C ATOM 357 O PHE A 28 -3.028 -4.066 -1.871 1.00 0.00 O ATOM 358 CB PHE A 28 -0.650 -4.857 -0.350 1.00 0.00 C ATOM 359 CG PHE A 28 0.687 -5.380 0.093 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.781 -6.565 0.803 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.848 -4.684 -0.201 1.00 0.00 C ATOM 362 CE1 PHE A 28 2.010 -7.049 1.212 1.00 0.00 C ATOM 363 CE2 PHE A 28 3.080 -5.163 0.205 1.00 0.00 C ATOM 364 CZ PHE A 28 3.161 -6.346 0.913 1.00 0.00 C ATOM 0 H PHE A 28 -0.786 -4.651 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.243 -6.719 -1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.540 -3.818 -0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.333 -4.864 0.499 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.116 -7.118 1.040 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.790 -3.758 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 28 2.070 -7.975 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.978 -4.612 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.122 -6.721 1.232 1.00 0.00 H new ATOM 374 N SER A 29 -3.623 -6.225 -1.657 1.00 0.00 N ATOM 375 CA SER A 29 -5.047 -5.965 -1.836 1.00 0.00 C ATOM 376 C SER A 29 -5.870 -6.709 -0.789 1.00 0.00 C ATOM 377 O SER A 29 -5.391 -7.655 -0.162 1.00 0.00 O ATOM 378 CB SER A 29 -5.491 -6.380 -3.240 1.00 0.00 C ATOM 379 OG SER A 29 -4.890 -7.605 -3.623 1.00 0.00 O ATOM 0 H SER A 29 -3.389 -7.206 -1.506 1.00 0.00 H new ATOM 0 HA SER A 29 -5.214 -4.895 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.576 -6.479 -3.267 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.224 -5.601 -3.954 1.00 0.00 H new ATOM 0 HG SER A 29 -5.191 -7.850 -4.523 1.00 0.00 H new ATOM 385 N LEU A 30 -7.112 -6.274 -0.604 1.00 0.00 N ATOM 386 CA LEU A 30 -8.004 -6.898 0.367 1.00 0.00 C ATOM 387 C LEU A 30 -9.429 -6.973 -0.172 1.00 0.00 C ATOM 388 O LEU A 30 -9.726 -6.446 -1.244 1.00 0.00 O ATOM 389 CB LEU A 30 -7.985 -6.117 1.682 1.00 0.00 C ATOM 390 CG LEU A 30 -8.396 -4.646 1.596 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.896 -4.498 1.801 1.00 0.00 C ATOM 392 CD2 LEU A 30 -7.632 -3.818 2.618 1.00 0.00 C ATOM 0 H LEU A 30 -7.524 -5.492 -1.113 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.650 -7.913 0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.647 -6.618 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.979 -6.169 2.097 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.148 -4.277 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.170 -3.445 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.426 -5.059 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.169 -4.884 2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.937 -2.774 2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.848 -4.187 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.562 -3.898 2.425 1.00 0.00 H new ATOM 404 N ASP A 31 -10.306 -7.629 0.579 1.00 0.00 N ATOM 405 CA ASP A 31 -11.702 -7.770 0.178 1.00 0.00 C ATOM 406 C ASP A 31 -12.635 -7.249 1.266 1.00 0.00 C ATOM 407 O ASP A 31 -12.366 -7.408 2.458 1.00 0.00 O ATOM 408 CB ASP A 31 -12.021 -9.235 -0.127 1.00 0.00 C ATOM 409 CG ASP A 31 -11.093 -9.825 -1.170 1.00 0.00 C ATOM 410 OD1 ASP A 31 -9.861 -9.742 -0.982 1.00 0.00 O ATOM 411 OD2 ASP A 31 -11.598 -10.368 -2.175 1.00 0.00 O ATOM 0 H ASP A 31 -10.076 -8.072 1.469 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.858 -7.177 -0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.948 -9.818 0.791 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.051 -9.315 -0.475 1.00 0.00 H new ATOM 416 N LEU A 32 -13.732 -6.626 0.849 1.00 0.00 N ATOM 417 CA LEU A 32 -14.705 -6.080 1.788 1.00 0.00 C ATOM 418 C LEU A 32 -16.120 -6.513 1.419 1.00 0.00 C ATOM 419 O LEU A 32 -16.388 -6.885 0.276 1.00 0.00 O ATOM 420 CB LEU A 32 -14.617 -4.553 1.814 1.00 0.00 C ATOM 421 CG LEU A 32 -13.235 -3.965 2.100 1.00 0.00 C ATOM 422 CD1 LEU A 32 -13.306 -2.448 2.180 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.665 -4.543 3.387 1.00 0.00 C ATOM 0 H LEU A 32 -13.970 -6.487 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.473 -6.468 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.959 -4.173 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.311 -4.182 2.568 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.570 -4.234 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.313 -2.048 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.670 -2.050 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.986 -2.157 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.681 -4.113 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.329 -4.305 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.576 -5.625 3.292 1.00 0.00 H new ATOM 435 N SER A 33 -17.023 -6.461 2.393 1.00 0.00 N ATOM 436 CA SER A 33 -18.411 -6.849 2.171 1.00 0.00 C ATOM 437 C SER A 33 -19.194 -5.715 1.517 1.00 0.00 C ATOM 438 O SER A 33 -20.233 -5.940 0.894 1.00 0.00 O ATOM 439 CB SER A 33 -19.071 -7.244 3.494 1.00 0.00 C ATOM 440 OG SER A 33 -20.228 -8.030 3.272 1.00 0.00 O ATOM 0 H SER A 33 -16.818 -6.154 3.344 1.00 0.00 H new ATOM 0 HA SER A 33 -18.419 -7.707 1.499 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.361 -7.801 4.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.339 -6.347 4.053 1.00 0.00 H new ATOM 0 HG SER A 33 -20.630 -8.271 4.133 1.00 0.00 H new ATOM 446 N THR A 34 -18.689 -4.494 1.663 1.00 0.00 N ATOM 447 CA THR A 34 -19.341 -3.324 1.089 1.00 0.00 C ATOM 448 C THR A 34 -18.315 -2.296 0.625 1.00 0.00 C ATOM 449 O THR A 34 -17.160 -2.323 1.050 1.00 0.00 O ATOM 450 CB THR A 34 -20.295 -2.660 2.099 1.00 0.00 C ATOM 451 OG1 THR A 34 -21.068 -1.645 1.448 1.00 0.00 O ATOM 452 CG2 THR A 34 -19.520 -2.051 3.257 1.00 0.00 C ATOM 0 H THR A 34 -17.830 -4.290 2.174 1.00 0.00 H new ATOM 0 HA THR A 34 -19.917 -3.672 0.232 1.00 0.00 H new ATOM 0 HB THR A 34 -20.962 -3.427 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.673 -1.229 2.096 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.216 -1.588 3.957 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.957 -2.832 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.831 -1.296 2.877 1.00 0.00 H new ATOM 460 N ILE A 35 -18.744 -1.391 -0.248 1.00 0.00 N ATOM 461 CA ILE A 35 -17.863 -0.353 -0.767 1.00 0.00 C ATOM 462 C ILE A 35 -17.520 0.668 0.313 1.00 0.00 C ATOM 463 O ILE A 35 -18.312 0.914 1.223 1.00 0.00 O ATOM 464 CB ILE A 35 -18.497 0.378 -1.965 1.00 0.00 C ATOM 465 CG1 ILE A 35 -19.042 -0.633 -2.976 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.480 1.298 -2.624 1.00 0.00 C ATOM 467 CD1 ILE A 35 -19.994 -0.027 -3.984 1.00 0.00 C ATOM 0 H ILE A 35 -19.697 -1.356 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.951 -0.850 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.326 0.986 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -18.207 -1.090 -3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -19.554 -1.431 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -17.944 1.807 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.135 2.036 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.632 0.710 -2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.340 -0.801 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.848 0.406 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.480 0.752 -4.547 1.00 0.00 H new ATOM 479 N ILE A 36 -16.336 1.262 0.204 1.00 0.00 N ATOM 480 CA ILE A 36 -15.890 2.259 1.170 1.00 0.00 C ATOM 481 C ILE A 36 -14.596 2.925 0.714 1.00 0.00 C ATOM 482 O ILE A 36 -13.827 2.347 -0.054 1.00 0.00 O ATOM 483 CB ILE A 36 -15.672 1.636 2.561 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.502 2.734 3.614 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.460 0.717 2.546 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.868 2.291 5.013 1.00 0.00 C ATOM 0 H ILE A 36 -15.669 1.070 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.678 3.009 1.237 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.549 1.043 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.466 3.074 3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.120 3.589 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.319 0.284 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.617 -0.081 1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.574 1.288 2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.723 3.119 5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.912 1.978 5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.233 1.456 5.308 1.00 0.00 H new ATOM 498 N GLN A 37 -14.362 4.141 1.195 1.00 0.00 N ATOM 499 CA GLN A 37 -13.160 4.885 0.837 1.00 0.00 C ATOM 500 C GLN A 37 -12.284 5.124 2.062 1.00 0.00 C ATOM 501 O GLN A 37 -12.509 6.063 2.826 1.00 0.00 O ATOM 502 CB GLN A 37 -13.535 6.222 0.195 1.00 0.00 C ATOM 503 CG GLN A 37 -12.335 7.029 -0.275 1.00 0.00 C ATOM 504 CD GLN A 37 -12.647 8.504 -0.429 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.809 8.911 -0.396 1.00 0.00 O ATOM 506 NE2 GLN A 37 -11.609 9.315 -0.600 1.00 0.00 N ATOM 0 H GLN A 37 -14.988 4.632 1.833 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.595 4.291 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.192 6.036 -0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.102 6.814 0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.519 6.907 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.988 6.634 -1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.663 8.935 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.758 10.318 -0.710 1.00 0.00 H new ATOM 515 N GLY A 38 -11.283 4.268 2.244 1.00 0.00 N ATOM 516 CA GLY A 38 -10.388 4.403 3.379 1.00 0.00 C ATOM 517 C GLY A 38 -9.076 5.065 3.007 1.00 0.00 C ATOM 518 O GLY A 38 -9.023 5.883 2.088 1.00 0.00 O ATOM 0 H GLY A 38 -11.076 3.484 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.879 4.988 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.188 3.417 3.799 1.00 0.00 H new ATOM 522 N THR A 39 -8.013 4.712 3.723 1.00 0.00 N ATOM 523 CA THR A 39 -6.695 5.279 3.465 1.00 0.00 C ATOM 524 C THR A 39 -5.610 4.214 3.562 1.00 0.00 C ATOM 525 O THR A 39 -5.742 3.246 4.310 1.00 0.00 O ATOM 526 CB THR A 39 -6.371 6.417 4.451 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.358 7.450 4.350 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.993 6.998 4.173 1.00 0.00 C ATOM 0 H THR A 39 -8.039 4.036 4.486 1.00 0.00 H new ATOM 0 HA THR A 39 -6.716 5.681 2.452 1.00 0.00 H new ATOM 0 HB THR A 39 -6.378 6.005 5.460 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.145 8.169 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.786 7.800 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.240 6.217 4.280 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.963 7.394 3.158 1.00 0.00 H new ATOM 536 N TRP A 40 -4.537 4.398 2.801 1.00 0.00 N ATOM 537 CA TRP A 40 -3.427 3.452 2.802 1.00 0.00 C ATOM 538 C TRP A 40 -2.284 3.954 3.677 1.00 0.00 C ATOM 539 O TRP A 40 -2.066 5.160 3.798 1.00 0.00 O ATOM 540 CB TRP A 40 -2.929 3.217 1.375 1.00 0.00 C ATOM 541 CG TRP A 40 -3.736 2.203 0.623 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.773 2.449 -0.230 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.573 0.781 0.659 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.265 1.266 -0.727 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.545 0.228 -0.197 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.699 -0.080 1.330 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.666 -1.144 -0.398 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.821 -1.441 1.130 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.798 -1.963 0.271 1.00 0.00 C ATOM 0 H TRP A 40 -4.412 5.194 2.175 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.787 2.509 3.214 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.948 4.161 0.831 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.890 2.890 1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.151 3.430 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.040 1.176 -1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.942 0.312 1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.419 -1.548 -1.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.152 -2.115 1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.867 -3.032 0.135 1.00 0.00 H new ATOM 560 N PHE A 41 -1.557 3.023 4.285 1.00 0.00 N ATOM 561 CA PHE A 41 -0.436 3.373 5.150 1.00 0.00 C ATOM 562 C PHE A 41 0.837 2.657 4.706 1.00 0.00 C ATOM 563 O PHE A 41 0.785 1.683 3.955 1.00 0.00 O ATOM 564 CB PHE A 41 -0.755 3.016 6.603 1.00 0.00 C ATOM 565 CG PHE A 41 -1.568 4.061 7.312 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.776 4.491 6.787 1.00 0.00 C ATOM 567 CD2 PHE A 41 -1.125 4.613 8.503 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.526 5.453 7.437 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.871 5.575 9.158 1.00 0.00 C ATOM 570 CZ PHE A 41 -3.074 5.994 8.625 1.00 0.00 C ATOM 0 H PHE A 41 -1.724 2.021 4.195 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.273 4.448 5.075 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.295 2.069 6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.178 2.864 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.136 4.070 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.185 4.288 8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.465 5.782 7.016 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.514 5.998 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.660 6.743 9.136 1.00 0.00 H new ATOM 580 N LEU A 42 1.979 3.147 5.177 1.00 0.00 N ATOM 581 CA LEU A 42 3.266 2.556 4.829 1.00 0.00 C ATOM 582 C LEU A 42 4.279 2.757 5.952 1.00 0.00 C ATOM 583 O LEU A 42 4.612 3.887 6.305 1.00 0.00 O ATOM 584 CB LEU A 42 3.798 3.169 3.532 1.00 0.00 C ATOM 585 CG LEU A 42 4.996 2.462 2.898 1.00 0.00 C ATOM 586 CD1 LEU A 42 4.740 0.967 2.794 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.297 3.050 1.527 1.00 0.00 C ATOM 0 H LEU A 42 2.039 3.952 5.801 1.00 0.00 H new ATOM 0 HA LEU A 42 3.119 1.486 4.684 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.987 3.190 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.076 4.204 3.730 1.00 0.00 H new ATOM 0 HG LEU A 42 5.865 2.617 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.604 0.481 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.574 0.556 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.859 0.791 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.153 2.535 1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.429 2.926 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.525 4.111 1.628 1.00 0.00 H new ATOM 599 N ASN A 43 4.765 1.652 6.508 1.00 0.00 N ATOM 600 CA ASN A 43 5.741 1.707 7.590 1.00 0.00 C ATOM 601 C ASN A 43 5.148 2.380 8.824 1.00 0.00 C ATOM 602 O ASN A 43 5.859 3.024 9.594 1.00 0.00 O ATOM 603 CB ASN A 43 6.994 2.459 7.137 1.00 0.00 C ATOM 604 CG ASN A 43 7.718 1.750 6.009 1.00 0.00 C ATOM 605 OD1 ASN A 43 6.967 1.319 5.002 1.00 0.00 O flip ATOM 606 ND2 ASN A 43 8.939 1.591 6.043 1.00 0.00 N flip ATOM 0 H ASN A 43 4.499 0.708 6.227 1.00 0.00 H new ATOM 0 HA ASN A 43 6.014 0.685 7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.715 3.462 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.671 2.575 7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.477 1.939 6.837 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.412 1.112 5.277 1.00 0.00 H new ATOM 613 N GLY A 44 3.840 2.226 9.005 1.00 0.00 N ATOM 614 CA GLY A 44 3.173 2.824 10.147 1.00 0.00 C ATOM 615 C GLY A 44 2.535 4.157 9.812 1.00 0.00 C ATOM 616 O GLY A 44 1.475 4.494 10.339 1.00 0.00 O ATOM 0 H GLY A 44 3.230 1.698 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.408 2.141 10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.893 2.962 10.954 1.00 0.00 H new ATOM 620 N GLU A 45 3.182 4.918 8.935 1.00 0.00 N ATOM 621 CA GLU A 45 2.671 6.224 8.534 1.00 0.00 C ATOM 622 C GLU A 45 1.547 6.077 7.513 1.00 0.00 C ATOM 623 O GLU A 45 1.200 4.967 7.112 1.00 0.00 O ATOM 624 CB GLU A 45 3.797 7.079 7.950 1.00 0.00 C ATOM 625 CG GLU A 45 4.358 6.539 6.646 1.00 0.00 C ATOM 626 CD GLU A 45 4.814 7.639 5.707 1.00 0.00 C ATOM 627 OE1 GLU A 45 3.997 8.532 5.398 1.00 0.00 O ATOM 628 OE2 GLU A 45 5.987 7.608 5.280 1.00 0.00 O ATOM 0 H GLU A 45 4.060 4.653 8.489 1.00 0.00 H new ATOM 0 HA GLU A 45 2.272 6.718 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.425 8.090 7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.603 7.151 8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.198 5.879 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.598 5.935 6.150 1.00 0.00 H new ATOM 635 N GLU A 46 0.982 7.207 7.098 1.00 0.00 N ATOM 636 CA GLU A 46 -0.104 7.204 6.125 1.00 0.00 C ATOM 637 C GLU A 46 0.377 7.717 4.770 1.00 0.00 C ATOM 638 O GLU A 46 1.356 8.460 4.687 1.00 0.00 O ATOM 639 CB GLU A 46 -1.268 8.064 6.623 1.00 0.00 C ATOM 640 CG GLU A 46 -2.292 8.385 5.548 1.00 0.00 C ATOM 641 CD GLU A 46 -3.336 9.380 6.015 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.691 9.349 7.212 1.00 0.00 O ATOM 643 OE2 GLU A 46 -3.799 10.189 5.184 1.00 0.00 O ATOM 0 H GLU A 46 1.258 8.135 7.420 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.446 6.176 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.765 7.547 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.873 8.996 7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.781 8.785 4.672 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.786 7.465 5.236 1.00 0.00 H new ATOM 650 N LEU A 47 -0.317 7.314 3.712 1.00 0.00 N ATOM 651 CA LEU A 47 0.039 7.731 2.360 1.00 0.00 C ATOM 652 C LEU A 47 -0.970 8.738 1.817 1.00 0.00 C ATOM 653 O LEU A 47 -2.101 8.820 2.297 1.00 0.00 O ATOM 654 CB LEU A 47 0.114 6.517 1.433 1.00 0.00 C ATOM 655 CG LEU A 47 1.184 5.479 1.772 1.00 0.00 C ATOM 656 CD1 LEU A 47 1.036 4.251 0.887 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.575 6.079 1.627 1.00 0.00 C ATOM 0 H LEU A 47 -1.129 6.699 3.764 1.00 0.00 H new ATOM 0 HA LEU A 47 1.017 8.210 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.857 6.022 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.289 6.871 0.417 1.00 0.00 H new ATOM 0 HG LEU A 47 1.049 5.172 2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.806 3.523 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.052 3.808 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.143 4.541 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.324 5.326 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.721 6.415 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.678 6.927 2.304 1.00 0.00 H new ATOM 669 N LYS A 48 -0.554 9.502 0.813 1.00 0.00 N ATOM 670 CA LYS A 48 -1.422 10.502 0.201 1.00 0.00 C ATOM 671 C LYS A 48 -1.462 10.333 -1.314 1.00 0.00 C ATOM 672 O LYS A 48 -0.452 10.515 -1.995 1.00 0.00 O ATOM 673 CB LYS A 48 -0.941 11.910 0.556 1.00 0.00 C ATOM 674 CG LYS A 48 0.404 12.265 -0.053 1.00 0.00 C ATOM 675 CD LYS A 48 1.022 13.477 0.625 1.00 0.00 C ATOM 676 CE LYS A 48 2.037 14.163 -0.276 1.00 0.00 C ATOM 677 NZ LYS A 48 3.350 13.459 -0.269 1.00 0.00 N ATOM 0 H LYS A 48 0.379 9.448 0.405 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.430 10.360 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.684 12.634 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.874 11.999 1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.080 11.414 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.281 12.466 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.237 14.184 0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.506 13.169 1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.651 14.201 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.176 15.193 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.014 13.957 -0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.731 13.444 0.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.223 12.483 -0.606 1.00 0.00 H new ATOM 691 N SER A 49 -2.634 9.987 -1.836 1.00 0.00 N ATOM 692 CA SER A 49 -2.805 9.793 -3.271 1.00 0.00 C ATOM 693 C SER A 49 -2.695 11.120 -4.016 1.00 0.00 C ATOM 694 O SER A 49 -3.703 11.728 -4.374 1.00 0.00 O ATOM 695 CB SER A 49 -4.158 9.142 -3.562 1.00 0.00 C ATOM 696 OG SER A 49 -4.373 9.012 -4.957 1.00 0.00 O ATOM 0 H SER A 49 -3.480 9.835 -1.286 1.00 0.00 H new ATOM 0 HA SER A 49 -2.010 9.134 -3.620 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.201 8.160 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.955 9.741 -3.122 1.00 0.00 H new ATOM 0 HG SER A 49 -5.244 8.592 -5.116 1.00 0.00 H new ATOM 702 N ASN A 50 -1.463 11.562 -4.247 1.00 0.00 N ATOM 703 CA ASN A 50 -1.221 12.817 -4.948 1.00 0.00 C ATOM 704 C ASN A 50 0.259 12.973 -5.288 1.00 0.00 C ATOM 705 O ASN A 50 1.121 12.391 -4.631 1.00 0.00 O ATOM 706 CB ASN A 50 -1.687 14.000 -4.097 1.00 0.00 C ATOM 707 CG ASN A 50 -2.138 15.177 -4.941 1.00 0.00 C ATOM 708 OD1 ASN A 50 -1.515 15.506 -5.950 1.00 0.00 O ATOM 709 ND2 ASN A 50 -3.227 15.817 -4.530 1.00 0.00 N ATOM 0 H ASN A 50 -0.617 11.070 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.790 12.800 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.508 13.681 -3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.875 14.316 -3.443 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.578 16.616 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.712 15.509 -3.687 1.00 0.00 H new ATOM 716 N GLU A 51 0.543 13.763 -6.319 1.00 0.00 N ATOM 717 CA GLU A 51 1.918 13.995 -6.745 1.00 0.00 C ATOM 718 C GLU A 51 2.767 14.514 -5.588 1.00 0.00 C ATOM 719 O GLU A 51 2.319 15.314 -4.766 1.00 0.00 O ATOM 720 CB GLU A 51 1.954 14.992 -7.906 1.00 0.00 C ATOM 721 CG GLU A 51 1.427 16.370 -7.542 1.00 0.00 C ATOM 722 CD GLU A 51 1.335 17.295 -8.740 1.00 0.00 C ATOM 723 OE1 GLU A 51 0.626 16.944 -9.706 1.00 0.00 O ATOM 724 OE2 GLU A 51 1.972 18.368 -8.711 1.00 0.00 O ATOM 0 H GLU A 51 -0.160 14.252 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 51 2.333 13.044 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.980 15.087 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.366 14.594 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.441 16.270 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.079 16.817 -6.791 1.00 0.00 H new ATOM 731 N PRO A 52 4.023 14.048 -5.520 1.00 0.00 N ATOM 732 CA PRO A 52 4.961 14.452 -4.468 1.00 0.00 C ATOM 733 C PRO A 52 5.403 15.904 -4.611 1.00 0.00 C ATOM 734 O PRO A 52 6.262 16.376 -3.868 1.00 0.00 O ATOM 735 CB PRO A 52 6.149 13.508 -4.672 1.00 0.00 C ATOM 736 CG PRO A 52 6.085 13.123 -6.110 1.00 0.00 C ATOM 737 CD PRO A 52 4.624 13.093 -6.465 1.00 0.00 C ATOM 0 HA PRO A 52 4.514 14.389 -3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.092 14.002 -4.436 1.00 0.00 H new ATOM 0 HB3 PRO A 52 6.076 12.634 -4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.623 13.840 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.547 12.149 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.456 13.392 -7.500 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.203 12.094 -6.349 1.00 0.00 H new ATOM 745 N GLU A 53 4.810 16.607 -5.572 1.00 0.00 N ATOM 746 CA GLU A 53 5.145 18.005 -5.811 1.00 0.00 C ATOM 747 C GLU A 53 5.215 18.781 -4.498 1.00 0.00 C ATOM 748 O GLU A 53 4.201 19.261 -3.994 1.00 0.00 O ATOM 749 CB GLU A 53 4.113 18.648 -6.741 1.00 0.00 C ATOM 750 CG GLU A 53 4.641 19.859 -7.491 1.00 0.00 C ATOM 751 CD GLU A 53 4.494 21.144 -6.700 1.00 0.00 C ATOM 752 OE1 GLU A 53 3.523 21.254 -5.923 1.00 0.00 O ATOM 753 OE2 GLU A 53 5.350 22.040 -6.859 1.00 0.00 O ATOM 0 H GLU A 53 4.096 16.231 -6.196 1.00 0.00 H new ATOM 0 HA GLU A 53 6.125 18.040 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.773 17.905 -7.462 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.243 18.945 -6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.693 19.703 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.109 19.956 -8.437 1.00 0.00 H new ATOM 760 N GLY A 54 6.420 18.897 -3.950 1.00 0.00 N ATOM 761 CA GLY A 54 6.601 19.613 -2.701 1.00 0.00 C ATOM 762 C GLY A 54 7.868 19.204 -1.976 1.00 0.00 C ATOM 763 O GLY A 54 8.952 19.700 -2.280 1.00 0.00 O ATOM 0 H GLY A 54 7.274 18.508 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.630 20.684 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.742 19.433 -2.055 1.00 0.00 H new ATOM 767 N GLN A 55 7.731 18.297 -1.014 1.00 0.00 N ATOM 768 CA GLN A 55 8.874 17.824 -0.242 1.00 0.00 C ATOM 769 C GLN A 55 9.430 16.531 -0.830 1.00 0.00 C ATOM 770 O GLN A 55 10.600 16.461 -1.206 1.00 0.00 O ATOM 771 CB GLN A 55 8.474 17.603 1.218 1.00 0.00 C ATOM 772 CG GLN A 55 7.926 18.850 1.894 1.00 0.00 C ATOM 773 CD GLN A 55 6.652 19.353 1.245 1.00 0.00 C ATOM 774 OE1 GLN A 55 5.791 18.567 0.849 1.00 0.00 O ATOM 775 NE2 GLN A 55 6.525 20.670 1.133 1.00 0.00 N ATOM 0 H GLN A 55 6.840 17.875 -0.751 1.00 0.00 H new ATOM 0 HA GLN A 55 9.652 18.587 -0.287 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.723 16.814 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.342 17.250 1.774 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.733 18.634 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.680 19.637 1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.264 21.285 1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.689 21.067 0.705 1.00 0.00 H new ATOM 784 N VAL A 56 8.583 15.509 -0.907 1.00 0.00 N ATOM 785 CA VAL A 56 8.990 14.219 -1.450 1.00 0.00 C ATOM 786 C VAL A 56 9.511 14.362 -2.876 1.00 0.00 C ATOM 787 O VAL A 56 8.923 15.070 -3.693 1.00 0.00 O ATOM 788 CB VAL A 56 7.824 13.213 -1.440 1.00 0.00 C ATOM 789 CG1 VAL A 56 8.264 11.878 -2.022 1.00 0.00 C ATOM 790 CG2 VAL A 56 7.286 13.036 -0.028 1.00 0.00 C ATOM 0 H VAL A 56 7.611 15.550 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 56 9.789 13.844 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 56 7.022 13.607 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.427 11.181 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.598 12.021 -3.050 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.084 11.474 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.463 12.322 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.080 12.664 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.930 13.995 0.348 1.00 0.00 H new ATOM 800 N GLU A 57 10.617 13.684 -3.167 1.00 0.00 N ATOM 801 CA GLU A 57 11.216 13.737 -4.495 1.00 0.00 C ATOM 802 C GLU A 57 10.188 13.397 -5.570 1.00 0.00 C ATOM 803 O GLU A 57 9.213 12.686 -5.329 1.00 0.00 O ATOM 804 CB GLU A 57 12.401 12.772 -4.583 1.00 0.00 C ATOM 805 CG GLU A 57 13.223 12.700 -3.307 1.00 0.00 C ATOM 806 CD GLU A 57 12.732 11.627 -2.356 1.00 0.00 C ATOM 807 OE1 GLU A 57 13.141 10.458 -2.519 1.00 0.00 O ATOM 808 OE2 GLU A 57 11.939 11.955 -1.449 1.00 0.00 O ATOM 0 H GLU A 57 11.115 13.093 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 57 11.571 14.753 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.030 11.776 -4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.048 13.078 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.265 12.506 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.192 13.667 -2.805 1.00 0.00 H new ATOM 815 N PRO A 58 10.411 13.917 -6.786 1.00 0.00 N ATOM 816 CA PRO A 58 9.515 13.683 -7.923 1.00 0.00 C ATOM 817 C PRO A 58 9.575 12.242 -8.421 1.00 0.00 C ATOM 818 O PRO A 58 8.780 11.835 -9.267 1.00 0.00 O ATOM 819 CB PRO A 58 10.044 14.640 -8.994 1.00 0.00 C ATOM 820 CG PRO A 58 11.478 14.844 -8.646 1.00 0.00 C ATOM 821 CD PRO A 58 11.554 14.773 -7.145 1.00 0.00 C ATOM 0 HA PRO A 58 8.471 13.850 -7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.936 14.216 -9.992 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.497 15.583 -8.987 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.104 14.079 -9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.835 15.808 -9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.498 14.344 -6.810 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.474 15.761 -6.691 1.00 0.00 H new ATOM 829 N GLY A 59 10.522 11.476 -7.889 1.00 0.00 N ATOM 830 CA GLY A 59 10.666 10.089 -8.291 1.00 0.00 C ATOM 831 C GLY A 59 11.196 9.213 -7.173 1.00 0.00 C ATOM 832 O GLY A 59 12.163 8.475 -7.358 1.00 0.00 O ATOM 0 H GLY A 59 11.192 11.791 -7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.700 9.707 -8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.340 10.030 -9.145 1.00 0.00 H new ATOM 836 N ALA A 60 10.562 9.296 -6.008 1.00 0.00 N ATOM 837 CA ALA A 60 10.975 8.504 -4.855 1.00 0.00 C ATOM 838 C ALA A 60 10.392 7.097 -4.919 1.00 0.00 C ATOM 839 O ALA A 60 11.128 6.112 -4.992 1.00 0.00 O ATOM 840 CB ALA A 60 10.556 9.193 -3.565 1.00 0.00 C ATOM 0 H ALA A 60 9.761 9.903 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 60 12.062 8.420 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.870 8.591 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.025 10.175 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.472 9.307 -3.549 1.00 0.00 H new ATOM 846 N LEU A 61 9.067 7.008 -4.891 1.00 0.00 N ATOM 847 CA LEU A 61 8.384 5.720 -4.945 1.00 0.00 C ATOM 848 C LEU A 61 7.146 5.796 -5.832 1.00 0.00 C ATOM 849 O LEU A 61 6.585 6.872 -6.041 1.00 0.00 O ATOM 850 CB LEU A 61 7.990 5.270 -3.537 1.00 0.00 C ATOM 851 CG LEU A 61 6.754 5.943 -2.939 1.00 0.00 C ATOM 852 CD1 LEU A 61 6.045 5.001 -1.979 1.00 0.00 C ATOM 853 CD2 LEU A 61 7.139 7.236 -2.234 1.00 0.00 C ATOM 0 H LEU A 61 8.444 7.813 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 61 9.071 4.991 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.820 4.194 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.834 5.448 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 61 6.068 6.186 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.168 5.497 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.735 4.103 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.723 4.726 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.247 7.701 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.845 7.017 -1.433 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.601 7.917 -2.949 1.00 0.00 H new ATOM 865 N ARG A 62 6.724 4.647 -6.350 1.00 0.00 N ATOM 866 CA ARG A 62 5.552 4.584 -7.214 1.00 0.00 C ATOM 867 C ARG A 62 4.511 3.622 -6.648 1.00 0.00 C ATOM 868 O ARG A 62 4.739 2.414 -6.581 1.00 0.00 O ATOM 869 CB ARG A 62 5.954 4.146 -8.624 1.00 0.00 C ATOM 870 CG ARG A 62 6.458 5.284 -9.495 1.00 0.00 C ATOM 871 CD ARG A 62 5.328 6.218 -9.901 1.00 0.00 C ATOM 872 NE ARG A 62 4.698 5.803 -11.152 1.00 0.00 N ATOM 873 CZ ARG A 62 3.492 6.206 -11.536 1.00 0.00 C ATOM 874 NH1 ARG A 62 2.790 7.031 -10.772 1.00 0.00 N ATOM 875 NH2 ARG A 62 2.987 5.785 -12.688 1.00 0.00 N ATOM 0 H ARG A 62 7.176 3.748 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 62 5.113 5.580 -7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.730 3.384 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.096 3.681 -9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.220 5.846 -8.956 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.934 4.877 -10.387 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.579 6.246 -9.110 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.716 7.231 -10.009 1.00 0.00 H new ATOM 0 HE ARG A 62 5.212 5.169 -11.764 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.176 7.358 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.864 7.339 -11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.525 5.151 -13.279 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.061 6.095 -12.982 1.00 0.00 H new ATOM 889 N TYR A 63 3.369 4.167 -6.243 1.00 0.00 N ATOM 890 CA TYR A 63 2.294 3.358 -5.680 1.00 0.00 C ATOM 891 C TYR A 63 1.025 3.480 -6.517 1.00 0.00 C ATOM 892 O TYR A 63 0.621 4.580 -6.895 1.00 0.00 O ATOM 893 CB TYR A 63 2.010 3.782 -4.238 1.00 0.00 C ATOM 894 CG TYR A 63 1.728 5.259 -4.085 1.00 0.00 C ATOM 895 CD1 TYR A 63 0.436 5.756 -4.210 1.00 0.00 C ATOM 896 CD2 TYR A 63 2.753 6.158 -3.816 1.00 0.00 C ATOM 897 CE1 TYR A 63 0.174 7.105 -4.072 1.00 0.00 C ATOM 898 CE2 TYR A 63 2.499 7.509 -3.676 1.00 0.00 C ATOM 899 CZ TYR A 63 1.208 7.978 -3.805 1.00 0.00 C ATOM 900 OH TYR A 63 0.951 9.322 -3.666 1.00 0.00 O ATOM 0 H TYR A 63 3.164 5.165 -6.294 1.00 0.00 H new ATOM 0 HA TYR A 63 2.615 2.316 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.156 3.217 -3.864 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.865 3.518 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.377 5.076 -4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.765 5.795 -3.715 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.836 7.475 -4.173 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.307 8.194 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 63 0.213 9.450 -3.034 1.00 0.00 H new ATOM 910 N ARG A 64 0.400 2.342 -6.802 1.00 0.00 N ATOM 911 CA ARG A 64 -0.823 2.320 -7.594 1.00 0.00 C ATOM 912 C ARG A 64 -2.008 1.856 -6.753 1.00 0.00 C ATOM 913 O ARG A 64 -2.109 0.680 -6.400 1.00 0.00 O ATOM 914 CB ARG A 64 -0.654 1.402 -8.807 1.00 0.00 C ATOM 915 CG ARG A 64 -1.763 1.544 -9.837 1.00 0.00 C ATOM 916 CD ARG A 64 -1.851 0.318 -10.733 1.00 0.00 C ATOM 917 NE ARG A 64 -1.003 0.442 -11.915 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.390 1.037 -13.038 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.605 1.560 -13.130 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.561 1.111 -14.072 1.00 0.00 N ATOM 0 H ARG A 64 0.721 1.423 -6.496 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.020 3.335 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.303 1.616 -9.284 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.616 0.367 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.716 1.694 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.584 2.430 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.557 -0.566 -10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.885 0.169 -11.043 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.062 0.050 -11.876 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.245 1.506 -12.337 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.900 2.016 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.375 0.711 -14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.860 1.568 -14.933 1.00 0.00 H new ATOM 934 N ILE A 65 -2.902 2.786 -6.434 1.00 0.00 N ATOM 935 CA ILE A 65 -4.079 2.472 -5.634 1.00 0.00 C ATOM 936 C ILE A 65 -5.314 2.309 -6.515 1.00 0.00 C ATOM 937 O ILE A 65 -5.816 3.279 -7.081 1.00 0.00 O ATOM 938 CB ILE A 65 -4.353 3.562 -4.582 1.00 0.00 C ATOM 939 CG1 ILE A 65 -3.159 3.699 -3.635 1.00 0.00 C ATOM 940 CG2 ILE A 65 -5.619 3.241 -3.803 1.00 0.00 C ATOM 941 CD1 ILE A 65 -3.191 4.960 -2.800 1.00 0.00 C ATOM 0 H ILE A 65 -2.833 3.763 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.872 1.531 -5.124 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.497 4.513 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.131 2.834 -2.972 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.239 3.683 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.799 4.021 -3.063 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.465 3.189 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.502 2.282 -3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.315 4.990 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.188 5.831 -3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.094 4.969 -2.189 1.00 0.00 H new ATOM 953 N GLU A 66 -5.799 1.076 -6.622 1.00 0.00 N ATOM 954 CA GLU A 66 -6.976 0.787 -7.433 1.00 0.00 C ATOM 955 C GLU A 66 -8.152 0.370 -6.555 1.00 0.00 C ATOM 956 O GLU A 66 -8.069 -0.610 -5.814 1.00 0.00 O ATOM 957 CB GLU A 66 -6.666 -0.315 -8.447 1.00 0.00 C ATOM 958 CG GLU A 66 -5.473 -0.007 -9.336 1.00 0.00 C ATOM 959 CD GLU A 66 -5.779 1.054 -10.376 1.00 0.00 C ATOM 960 OE1 GLU A 66 -6.372 0.707 -11.419 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.425 2.229 -10.147 1.00 0.00 O ATOM 0 H GLU A 66 -5.396 0.262 -6.158 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.249 1.696 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.479 -1.246 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.543 -0.477 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.640 0.326 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.153 -0.920 -9.837 1.00 0.00 H new ATOM 968 N GLN A 67 -9.246 1.120 -6.644 1.00 0.00 N ATOM 969 CA GLN A 67 -10.438 0.829 -5.857 1.00 0.00 C ATOM 970 C GLN A 67 -11.614 0.476 -6.761 1.00 0.00 C ATOM 971 O GLN A 67 -12.151 1.333 -7.463 1.00 0.00 O ATOM 972 CB GLN A 67 -10.798 2.026 -4.975 1.00 0.00 C ATOM 973 CG GLN A 67 -12.050 1.812 -4.140 1.00 0.00 C ATOM 974 CD GLN A 67 -12.058 0.471 -3.434 1.00 0.00 C ATOM 975 OE1 GLN A 67 -11.006 -0.117 -3.181 1.00 0.00 O ATOM 976 NE2 GLN A 67 -13.249 -0.021 -3.110 1.00 0.00 N ATOM 0 H GLN A 67 -9.331 1.934 -7.253 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.222 -0.029 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.961 2.242 -4.311 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.938 2.903 -5.607 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.129 2.608 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.928 1.885 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -14.095 0.500 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.317 -0.920 -2.632 1.00 0.00 H new ATOM 985 N LYS A 68 -12.011 -0.792 -6.740 1.00 0.00 N ATOM 986 CA LYS A 68 -13.124 -1.260 -7.557 1.00 0.00 C ATOM 987 C LYS A 68 -14.145 -2.011 -6.707 1.00 0.00 C ATOM 988 O LYS A 68 -14.158 -3.241 -6.678 1.00 0.00 O ATOM 989 CB LYS A 68 -12.615 -2.166 -8.680 1.00 0.00 C ATOM 990 CG LYS A 68 -12.270 -1.418 -9.956 1.00 0.00 C ATOM 991 CD LYS A 68 -11.407 -2.260 -10.880 1.00 0.00 C ATOM 992 CE LYS A 68 -12.246 -3.245 -11.681 1.00 0.00 C ATOM 993 NZ LYS A 68 -12.790 -2.628 -12.923 1.00 0.00 N ATOM 0 H LYS A 68 -11.578 -1.515 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.611 -0.389 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.731 -2.700 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.374 -2.916 -8.902 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.187 -1.134 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.746 -0.495 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.859 -1.609 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.667 -2.804 -10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.638 -4.112 -11.942 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.069 -3.607 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.356 -3.331 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.390 -1.816 -12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.004 -2.306 -13.523 1.00 0.00 H new ATOM 1007 N GLY A 69 -14.999 -1.262 -6.016 1.00 0.00 N ATOM 1008 CA GLY A 69 -16.012 -1.874 -5.177 1.00 0.00 C ATOM 1009 C GLY A 69 -15.421 -2.830 -4.159 1.00 0.00 C ATOM 1010 O GLY A 69 -14.932 -3.903 -4.515 1.00 0.00 O ATOM 0 H GLY A 69 -15.007 -0.242 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.569 -1.094 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -16.724 -2.411 -5.804 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.464 -2.440 -2.890 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.927 -3.269 -1.816 1.00 0.00 C ATOM 1016 C LEU A 70 -13.706 -4.050 -2.291 1.00 0.00 C ATOM 1017 O LEU A 70 -13.496 -5.195 -1.890 1.00 0.00 O ATOM 1018 CB LEU A 70 -15.998 -4.235 -1.307 1.00 0.00 C ATOM 1019 CG LEU A 70 -17.046 -4.676 -2.330 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.540 -6.079 -2.018 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.208 -3.694 -2.360 1.00 0.00 C ATOM 0 H LEU A 70 -15.865 -1.555 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.622 -2.613 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.502 -5.124 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.513 -3.766 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.581 -4.688 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.285 -6.375 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.702 -6.775 -2.049 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.988 -6.094 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.944 -4.024 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.672 -3.649 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.841 -2.705 -2.633 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.903 -3.422 -3.143 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.701 -4.058 -3.670 1.00 0.00 C ATOM 1035 C GLN A 71 -10.575 -3.043 -3.835 1.00 0.00 C ATOM 1036 O GLN A 71 -10.591 -2.228 -4.759 1.00 0.00 O ATOM 1037 CB GLN A 71 -12.000 -4.729 -5.013 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.909 -5.681 -5.474 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.190 -6.273 -6.841 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -12.029 -7.163 -6.984 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -10.489 -5.781 -7.855 1.00 0.00 N ATOM 0 H GLN A 71 -13.062 -2.474 -3.483 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.380 -4.817 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.939 -5.277 -4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.142 -3.959 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.957 -5.151 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.805 -6.487 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.804 -5.044 -7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.636 -6.140 -8.798 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.599 -3.098 -2.935 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.465 -2.182 -2.981 1.00 0.00 C ATOM 1052 C HIS A 72 -7.186 -2.921 -3.366 1.00 0.00 C ATOM 1053 O HIS A 72 -6.993 -4.080 -2.998 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.282 -1.494 -1.627 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.511 -0.789 -1.143 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.618 0.585 -1.088 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.692 -1.275 -0.693 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.810 0.913 -0.622 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.481 -0.198 -0.375 1.00 0.00 N ATOM 0 H HIS A 72 -9.570 -3.767 -2.165 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.670 -1.426 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.985 -2.238 -0.888 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.466 -0.775 -1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -10.963 -2.316 -0.601 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.174 1.918 -0.469 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.431 -0.247 -0.008 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.318 -2.242 -4.109 1.00 0.00 N ATOM 1068 CA ARG A 73 -5.059 -2.835 -4.545 1.00 0.00 C ATOM 1069 C ARG A 73 -3.937 -1.801 -4.529 1.00 0.00 C ATOM 1070 O ARG A 73 -4.013 -0.775 -5.206 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.207 -3.421 -5.950 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.136 -4.441 -6.301 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.344 -5.010 -7.696 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.353 -6.031 -8.023 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.383 -6.754 -9.137 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -4.350 -6.569 -10.026 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.446 -7.665 -9.364 1.00 0.00 N ATOM 0 H ARG A 73 -6.463 -1.282 -4.421 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.803 -3.635 -3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.187 -3.891 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.177 -2.610 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.153 -3.974 -6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.150 -5.250 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.344 -5.439 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.290 -4.204 -8.428 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.596 -6.198 -7.360 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.073 -5.870 -9.855 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.370 -7.126 -10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.701 -7.811 -8.683 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.470 -8.219 -10.220 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.896 -2.078 -3.750 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.758 -1.172 -3.645 1.00 0.00 C ATOM 1093 C LEU A 74 -0.486 -1.833 -4.166 1.00 0.00 C ATOM 1094 O LEU A 74 0.192 -2.557 -3.437 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.561 -0.735 -2.192 1.00 0.00 C ATOM 1096 CG LEU A 74 -0.387 0.209 -1.928 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.698 1.604 -2.447 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -0.060 0.251 -0.442 1.00 0.00 C ATOM 0 H LEU A 74 -2.817 -2.922 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.966 -0.294 -4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.476 -0.249 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.428 -1.627 -1.580 1.00 0.00 H new ATOM 0 HG LEU A 74 0.486 -0.169 -2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.148 2.262 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.882 1.560 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.583 1.991 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.778 0.928 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.930 0.604 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.206 -0.749 -0.100 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.168 -1.576 -5.431 1.00 0.00 N ATOM 1111 CA ILE A 75 1.025 -2.144 -6.048 1.00 0.00 C ATOM 1112 C ILE A 75 2.204 -1.182 -5.952 1.00 0.00 C ATOM 1113 O ILE A 75 2.198 -0.112 -6.562 1.00 0.00 O ATOM 1114 CB ILE A 75 0.780 -2.494 -7.528 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.440 -3.407 -7.664 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.013 -3.155 -8.126 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.738 -2.655 -7.861 1.00 0.00 C ATOM 0 H ILE A 75 -0.719 -0.979 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 75 1.260 -3.057 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 75 0.583 -1.573 -8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.288 -4.080 -8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.521 -4.028 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.825 -3.397 -9.172 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.861 -2.473 -8.058 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.238 -4.069 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.560 -3.365 -7.950 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.913 -2.002 -7.006 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.677 -2.055 -8.769 1.00 0.00 H new ATOM 1129 N LEU A 76 3.216 -1.571 -5.184 1.00 0.00 N ATOM 1130 CA LEU A 76 4.405 -0.744 -5.010 1.00 0.00 C ATOM 1131 C LEU A 76 5.539 -1.223 -5.911 1.00 0.00 C ATOM 1132 O LEU A 76 6.267 -2.155 -5.568 1.00 0.00 O ATOM 1133 CB LEU A 76 4.856 -0.766 -3.548 1.00 0.00 C ATOM 1134 CG LEU A 76 3.833 -0.277 -2.523 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.140 -0.849 -1.147 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.809 1.244 -2.476 1.00 0.00 C ATOM 0 H LEU A 76 3.237 -2.453 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 76 4.150 0.278 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.138 -1.787 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.753 -0.154 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 76 2.847 -0.627 -2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.401 -0.490 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.105 -1.938 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.134 -0.530 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.075 1.574 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.795 1.615 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.540 1.634 -3.458 1.00 0.00 H new ATOM 1148 N HIS A 77 5.684 -0.578 -7.064 1.00 0.00 N ATOM 1149 CA HIS A 77 6.731 -0.936 -8.014 1.00 0.00 C ATOM 1150 C HIS A 77 8.048 -0.253 -7.655 1.00 0.00 C ATOM 1151 O HIS A 77 8.066 0.912 -7.261 1.00 0.00 O ATOM 1152 CB HIS A 77 6.315 -0.552 -9.434 1.00 0.00 C ATOM 1153 CG HIS A 77 4.843 -0.680 -9.682 1.00 0.00 C ATOM 1154 ND1 HIS A 77 3.803 0.061 -9.235 1.00 0.00 N flip ATOM 1155 CD2 HIS A 77 4.297 -1.667 -10.474 1.00 0.00 C flip ATOM 1156 CE1 HIS A 77 2.658 -0.486 -9.761 1.00 0.00 C flip ATOM 1157 NE2 HIS A 77 2.984 -1.527 -10.506 1.00 0.00 N flip ATOM 0 H HIS A 77 5.090 0.195 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 77 6.876 -2.015 -7.966 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.620 0.477 -9.628 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.851 -1.182 -10.144 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.856 -2.435 -10.988 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.655 -0.124 -9.593 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.333 -2.121 -11.019 1.00 0.00 H new ATOM 1166 N ALA A 78 9.147 -0.988 -7.792 1.00 0.00 N ATOM 1167 CA ALA A 78 10.467 -0.452 -7.484 1.00 0.00 C ATOM 1168 C ALA A 78 10.684 -0.363 -5.977 1.00 0.00 C ATOM 1169 O ALA A 78 11.004 0.702 -5.448 1.00 0.00 O ATOM 1170 CB ALA A 78 10.645 0.915 -8.127 1.00 0.00 C ATOM 0 H ALA A 78 9.149 -1.956 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 78 11.214 -1.133 -7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.635 1.303 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.541 0.825 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 78 9.886 1.598 -7.746 1.00 0.00 H new ATOM 1176 N VAL A 79 10.508 -1.487 -5.290 1.00 0.00 N ATOM 1177 CA VAL A 79 10.685 -1.536 -3.844 1.00 0.00 C ATOM 1178 C VAL A 79 12.158 -1.670 -3.475 1.00 0.00 C ATOM 1179 O VAL A 79 12.924 -2.345 -4.164 1.00 0.00 O ATOM 1180 CB VAL A 79 9.903 -2.707 -3.221 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.405 -2.492 -3.377 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.328 -4.025 -3.850 1.00 0.00 C ATOM 0 H VAL A 79 10.243 -2.377 -5.712 1.00 0.00 H new ATOM 0 HA VAL A 79 10.297 -0.598 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 79 10.131 -2.748 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.869 -3.330 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.116 -1.568 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.155 -2.424 -4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.765 -4.842 -3.398 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.130 -3.997 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.394 -4.182 -3.682 1.00 0.00 H new ATOM 1192 N LYS A 80 12.550 -1.023 -2.383 1.00 0.00 N ATOM 1193 CA LYS A 80 13.932 -1.071 -1.919 1.00 0.00 C ATOM 1194 C LYS A 80 14.058 -1.938 -0.671 1.00 0.00 C ATOM 1195 O LYS A 80 13.081 -2.155 0.047 1.00 0.00 O ATOM 1196 CB LYS A 80 14.442 0.342 -1.625 1.00 0.00 C ATOM 1197 CG LYS A 80 14.166 1.333 -2.742 1.00 0.00 C ATOM 1198 CD LYS A 80 14.841 0.915 -4.038 1.00 0.00 C ATOM 1199 CE LYS A 80 16.342 1.157 -3.988 1.00 0.00 C ATOM 1200 NZ LYS A 80 17.041 0.542 -5.150 1.00 0.00 N ATOM 0 H LYS A 80 11.930 -0.459 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 80 14.539 -1.513 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.978 0.703 -0.707 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.516 0.301 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.091 1.414 -2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.520 2.321 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.648 -0.141 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 80 14.409 1.471 -4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.537 2.229 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 80 16.746 0.747 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 18.062 0.729 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.876 -0.485 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.674 0.952 -6.033 1.00 0.00 H new ATOM 1214 N HIS A 81 15.266 -2.432 -0.418 1.00 0.00 N ATOM 1215 CA HIS A 81 15.519 -3.274 0.745 1.00 0.00 C ATOM 1216 C HIS A 81 15.655 -2.430 2.009 1.00 0.00 C ATOM 1217 O HIS A 81 15.442 -2.918 3.118 1.00 0.00 O ATOM 1218 CB HIS A 81 16.786 -4.104 0.534 1.00 0.00 C ATOM 1219 CG HIS A 81 17.815 -3.422 -0.313 1.00 0.00 C ATOM 1220 ND1 HIS A 81 17.807 -3.469 -1.691 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.887 -2.671 0.030 1.00 0.00 C ATOM 1222 CE1 HIS A 81 18.831 -2.779 -2.159 1.00 0.00 C ATOM 1223 NE2 HIS A 81 19.502 -2.283 -1.136 1.00 0.00 N ATOM 0 H HIS A 81 16.085 -2.264 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 81 14.669 -3.945 0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 81 17.223 -4.337 1.505 1.00 0.00 H new ATOM 0 HB3 HIS A 81 16.516 -5.052 0.070 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.201 -2.423 1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 81 19.078 -2.643 -3.202 1.00 0.00 H new ATOM 0 HE2 HIS A 81 20.340 -1.706 -1.201 1.00 0.00 H new ATOM 1232 N GLN A 82 16.011 -1.161 1.832 1.00 0.00 N ATOM 1233 CA GLN A 82 16.177 -0.250 2.958 1.00 0.00 C ATOM 1234 C GLN A 82 14.885 -0.137 3.761 1.00 0.00 C ATOM 1235 O GLN A 82 14.907 0.188 4.948 1.00 0.00 O ATOM 1236 CB GLN A 82 16.607 1.132 2.464 1.00 0.00 C ATOM 1237 CG GLN A 82 15.598 1.787 1.535 1.00 0.00 C ATOM 1238 CD GLN A 82 15.894 3.254 1.293 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.681 3.604 0.413 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.263 4.123 2.075 1.00 0.00 N ATOM 0 H GLN A 82 16.190 -0.741 0.920 1.00 0.00 H new ATOM 0 HA GLN A 82 16.954 -0.653 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.771 1.781 3.324 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.561 1.042 1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.592 1.259 0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.600 1.687 1.961 1.00 0.00 H new ATOM 0 HE21 GLN A 82 14.619 3.790 2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 82 15.423 5.124 1.958 1.00 0.00 H new ATOM 1249 N ASP A 83 13.762 -0.407 3.106 1.00 0.00 N ATOM 1250 CA ASP A 83 12.460 -0.336 3.759 1.00 0.00 C ATOM 1251 C ASP A 83 12.000 -1.720 4.205 1.00 0.00 C ATOM 1252 O ASP A 83 10.839 -1.913 4.568 1.00 0.00 O ATOM 1253 CB ASP A 83 11.425 0.279 2.815 1.00 0.00 C ATOM 1254 CG ASP A 83 11.645 1.765 2.605 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.341 2.546 3.530 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.120 2.146 1.514 1.00 0.00 O ATOM 0 H ASP A 83 13.727 -0.677 2.123 1.00 0.00 H new ATOM 0 HA ASP A 83 12.557 0.297 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.466 -0.231 1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.426 0.116 3.219 1.00 0.00 H new ATOM 1261 N SER A 84 12.917 -2.682 4.174 1.00 0.00 N ATOM 1262 CA SER A 84 12.604 -4.050 4.570 1.00 0.00 C ATOM 1263 C SER A 84 11.700 -4.066 5.799 1.00 0.00 C ATOM 1264 O SER A 84 11.727 -3.146 6.616 1.00 0.00 O ATOM 1265 CB SER A 84 13.890 -4.826 4.859 1.00 0.00 C ATOM 1266 OG SER A 84 14.629 -4.219 5.904 1.00 0.00 O ATOM 0 H SER A 84 13.883 -2.539 3.879 1.00 0.00 H new ATOM 0 HA SER A 84 12.076 -4.529 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.645 -5.853 5.132 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.501 -4.872 3.957 1.00 0.00 H new ATOM 0 HG SER A 84 15.445 -4.735 6.070 1.00 0.00 H new ATOM 1272 N GLY A 85 10.899 -5.120 5.924 1.00 0.00 N ATOM 1273 CA GLY A 85 9.998 -5.238 7.055 1.00 0.00 C ATOM 1274 C GLY A 85 9.051 -4.059 7.166 1.00 0.00 C ATOM 1275 O GLY A 85 8.707 -3.633 8.268 1.00 0.00 O ATOM 0 H GLY A 85 10.858 -5.895 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.420 -6.157 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.580 -5.320 7.973 1.00 0.00 H new ATOM 1279 N ALA A 86 8.630 -3.531 6.022 1.00 0.00 N ATOM 1280 CA ALA A 86 7.716 -2.395 5.996 1.00 0.00 C ATOM 1281 C ALA A 86 6.335 -2.789 6.509 1.00 0.00 C ATOM 1282 O ALA A 86 6.005 -3.973 6.585 1.00 0.00 O ATOM 1283 CB ALA A 86 7.617 -1.829 4.587 1.00 0.00 C ATOM 0 H ALA A 86 8.907 -3.871 5.101 1.00 0.00 H new ATOM 0 HA ALA A 86 8.114 -1.625 6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.931 -0.982 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.602 -1.500 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.246 -2.599 3.911 1.00 0.00 H new ATOM 1289 N LEU A 87 5.533 -1.790 6.859 1.00 0.00 N ATOM 1290 CA LEU A 87 4.186 -2.032 7.366 1.00 0.00 C ATOM 1291 C LEU A 87 3.141 -1.380 6.467 1.00 0.00 C ATOM 1292 O LEU A 87 2.930 -0.168 6.520 1.00 0.00 O ATOM 1293 CB LEU A 87 4.053 -1.498 8.793 1.00 0.00 C ATOM 1294 CG LEU A 87 3.077 -2.247 9.701 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.736 -2.430 9.009 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.656 -3.593 10.111 1.00 0.00 C ATOM 0 H LEU A 87 5.791 -0.805 6.801 1.00 0.00 H new ATOM 0 HA LEU A 87 4.014 -3.108 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.038 -1.515 9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.743 -0.454 8.742 1.00 0.00 H new ATOM 0 HG LEU A 87 2.919 -1.652 10.601 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.055 -2.965 9.671 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.315 -1.454 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.875 -3.002 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.948 -4.112 10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.844 -4.194 9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.591 -3.438 10.649 1.00 0.00 H new ATOM 1308 N VAL A 88 2.486 -2.192 5.642 1.00 0.00 N ATOM 1309 CA VAL A 88 1.460 -1.695 4.734 1.00 0.00 C ATOM 1310 C VAL A 88 0.070 -2.133 5.183 1.00 0.00 C ATOM 1311 O VAL A 88 -0.215 -3.325 5.281 1.00 0.00 O ATOM 1312 CB VAL A 88 1.700 -2.185 3.294 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.704 -1.545 2.339 1.00 0.00 C ATOM 1314 CG2 VAL A 88 3.129 -1.890 2.863 1.00 0.00 C ATOM 0 H VAL A 88 2.648 -3.197 5.584 1.00 0.00 H new ATOM 0 HA VAL A 88 1.519 -0.607 4.754 1.00 0.00 H new ATOM 0 HB VAL A 88 1.551 -3.264 3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.889 -1.903 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.310 -1.811 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.818 -0.461 2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.282 -2.243 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.308 -0.816 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.823 -2.400 3.531 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.793 -1.158 5.454 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.143 -1.463 5.889 1.00 0.00 C ATOM 1326 C GLY A 89 -3.153 -0.441 5.404 1.00 0.00 C ATOM 1327 O GLY A 89 -2.807 0.714 5.153 1.00 0.00 O ATOM 0 H GLY A 89 -0.581 -0.163 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.425 -2.450 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.169 -1.507 6.978 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.404 -0.866 5.269 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.467 0.019 4.808 1.00 0.00 C ATOM 1333 C PHE A 90 -6.407 0.384 5.954 1.00 0.00 C ATOM 1334 O PHE A 90 -7.209 -0.437 6.398 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.257 -0.643 3.677 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.626 -0.058 3.480 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.788 1.160 2.839 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.752 -0.727 3.934 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.047 1.700 2.658 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.013 -0.191 3.755 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.161 1.023 3.115 1.00 0.00 C ATOM 0 H PHE A 90 -4.707 -1.818 5.472 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.007 0.933 4.434 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.694 -0.550 2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.353 -1.708 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.921 1.693 2.477 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.642 -1.678 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.160 2.651 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.882 -0.721 4.116 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.146 1.443 2.972 1.00 0.00 H new ATOM 1351 N SER A 91 -6.300 1.621 6.427 1.00 0.00 N ATOM 1352 CA SER A 91 -7.136 2.094 7.524 1.00 0.00 C ATOM 1353 C SER A 91 -8.447 2.672 6.998 1.00 0.00 C ATOM 1354 O SER A 91 -8.448 3.545 6.129 1.00 0.00 O ATOM 1355 CB SER A 91 -6.392 3.151 8.342 1.00 0.00 C ATOM 1356 OG SER A 91 -6.064 4.276 7.545 1.00 0.00 O ATOM 0 H SER A 91 -5.643 2.314 6.068 1.00 0.00 H new ATOM 0 HA SER A 91 -7.365 1.243 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.010 3.465 9.183 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.482 2.719 8.758 1.00 0.00 H new ATOM 0 HG SER A 91 -5.134 4.204 7.244 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.559 2.179 7.531 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.877 2.645 7.116 1.00 0.00 C ATOM 1364 C CYS A 92 -11.843 2.669 8.296 1.00 0.00 C ATOM 1365 O CYS A 92 -11.658 1.973 9.295 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.431 1.750 6.006 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.490 0.410 6.599 1.00 0.00 S ATOM 0 H CYS A 92 -9.574 1.457 8.251 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.772 3.661 6.736 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -11.998 2.365 5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.598 1.321 5.450 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.911 -0.290 5.588 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.897 3.490 8.182 1.00 0.00 N ATOM 1374 CA PRO A 93 -13.912 3.626 9.231 1.00 0.00 C ATOM 1375 C PRO A 93 -14.775 2.376 9.367 1.00 0.00 C ATOM 1376 O PRO A 93 -15.884 2.315 8.837 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.757 4.811 8.756 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.581 4.833 7.277 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.180 4.349 7.020 1.00 0.00 C ATOM 0 HA PRO A 93 -13.465 3.771 10.215 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.805 4.684 9.028 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.421 5.744 9.209 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.312 4.190 6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.725 5.838 6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.112 3.794 6.084 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.475 5.177 6.952 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.260 1.381 10.083 1.00 0.00 N ATOM 1388 CA GLY A 94 -14.998 0.147 10.276 1.00 0.00 C ATOM 1389 C GLY A 94 -14.105 -1.077 10.224 1.00 0.00 C ATOM 1390 O GLY A 94 -14.503 -2.164 10.643 1.00 0.00 O ATOM 0 H GLY A 94 -13.345 1.408 10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.509 0.180 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.768 0.064 9.509 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.893 -0.902 9.707 1.00 0.00 N ATOM 1395 CA VAL A 95 -11.940 -2.000 9.602 1.00 0.00 C ATOM 1396 C VAL A 95 -10.514 -1.516 9.838 1.00 0.00 C ATOM 1397 O VAL A 95 -10.160 -0.397 9.469 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.018 -2.680 8.221 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -10.932 -3.735 8.084 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.395 -3.289 8.005 1.00 0.00 C ATOM 0 H VAL A 95 -12.548 -0.009 9.354 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.206 -2.724 10.372 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.856 -1.924 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.003 -4.205 7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.954 -3.266 8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.060 -4.492 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.433 -3.765 7.025 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.589 -4.033 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.151 -2.506 8.057 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.700 -2.367 10.454 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.312 -2.025 10.740 1.00 0.00 C ATOM 1412 C GLN A 96 -7.412 -3.249 10.606 1.00 0.00 C ATOM 1413 O GLN A 96 -7.422 -4.136 11.460 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.188 -1.438 12.146 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.040 -0.197 12.364 1.00 0.00 C ATOM 1416 CD GLN A 96 -10.426 -0.525 12.882 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -10.634 -1.555 13.524 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -11.385 0.351 12.604 1.00 0.00 N ATOM 0 H GLN A 96 -9.978 -3.298 10.765 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.991 -1.279 10.013 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.473 -2.197 12.874 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.144 -1.190 12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.539 0.464 13.071 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.127 0.349 11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.168 1.192 12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.338 0.183 12.926 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.634 -3.291 9.530 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.727 -4.406 9.284 1.00 0.00 C ATOM 1429 C ASP A 97 -4.470 -3.934 8.559 1.00 0.00 C ATOM 1430 O ASP A 97 -4.453 -2.859 7.961 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.427 -5.490 8.464 1.00 0.00 C ATOM 1432 CG ASP A 97 -5.638 -6.784 8.421 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -5.334 -7.331 9.502 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.324 -7.250 7.306 1.00 0.00 O ATOM 0 H ASP A 97 -6.613 -2.565 8.814 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.434 -4.823 10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.412 -5.683 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.583 -5.129 7.447 1.00 0.00 H new ATOM 1439 N SER A 98 -3.419 -4.746 8.618 1.00 0.00 N ATOM 1440 CA SER A 98 -2.156 -4.410 7.971 1.00 0.00 C ATOM 1441 C SER A 98 -1.351 -5.669 7.664 1.00 0.00 C ATOM 1442 O SER A 98 -1.679 -6.758 8.133 1.00 0.00 O ATOM 1443 CB SER A 98 -1.338 -3.471 8.860 1.00 0.00 C ATOM 1444 OG SER A 98 -0.959 -4.111 10.066 1.00 0.00 O ATOM 0 H SER A 98 -3.417 -5.641 9.107 1.00 0.00 H new ATOM 0 HA SER A 98 -2.380 -3.906 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.448 -3.142 8.324 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.922 -2.579 9.086 1.00 0.00 H new ATOM 0 HG SER A 98 -0.883 -3.444 10.780 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.295 -5.510 6.873 1.00 0.00 N ATOM 1451 CA ALA A 99 0.559 -6.632 6.504 1.00 0.00 C ATOM 1452 C ALA A 99 2.033 -6.254 6.599 1.00 0.00 C ATOM 1453 O ALA A 99 2.373 -5.095 6.834 1.00 0.00 O ATOM 1454 CB ALA A 99 0.224 -7.111 5.100 1.00 0.00 C ATOM 0 H ALA A 99 -0.010 -4.615 6.475 1.00 0.00 H new ATOM 0 HA ALA A 99 0.373 -7.444 7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.870 -7.949 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.818 -7.430 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.380 -6.298 4.391 1.00 0.00 H new ATOM 1460 N ALA A 100 2.905 -7.240 6.415 1.00 0.00 N ATOM 1461 CA ALA A 100 4.343 -7.010 6.478 1.00 0.00 C ATOM 1462 C ALA A 100 4.983 -7.154 5.102 1.00 0.00 C ATOM 1463 O ALA A 100 4.697 -8.102 4.369 1.00 0.00 O ATOM 1464 CB ALA A 100 4.988 -7.971 7.466 1.00 0.00 C ATOM 0 H ALA A 100 2.640 -8.206 6.221 1.00 0.00 H new ATOM 0 HA ALA A 100 4.508 -5.989 6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.062 -7.788 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.559 -7.817 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.805 -8.997 7.147 1.00 0.00 H new ATOM 1470 N LEU A 101 5.850 -6.209 4.756 1.00 0.00 N ATOM 1471 CA LEU A 101 6.531 -6.231 3.466 1.00 0.00 C ATOM 1472 C LEU A 101 7.983 -6.672 3.624 1.00 0.00 C ATOM 1473 O LEU A 101 8.713 -6.155 4.470 1.00 0.00 O ATOM 1474 CB LEU A 101 6.475 -4.848 2.814 1.00 0.00 C ATOM 1475 CG LEU A 101 6.450 -4.827 1.286 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.234 -3.411 0.775 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.739 -5.408 0.723 1.00 0.00 C ATOM 0 H LEU A 101 6.098 -5.418 5.350 1.00 0.00 H new ATOM 0 HA LEU A 101 6.020 -6.950 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.587 -4.332 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.338 -4.274 3.151 1.00 0.00 H new ATOM 0 HG LEU A 101 5.618 -5.445 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.219 -3.416 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.284 -3.030 1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.044 -2.771 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.703 -5.385 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.587 -4.818 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.852 -6.438 1.061 1.00 0.00 H new ATOM 1489 N THR A 102 8.397 -7.631 2.801 1.00 0.00 N ATOM 1490 CA THR A 102 9.761 -8.142 2.848 1.00 0.00 C ATOM 1491 C THR A 102 10.501 -7.855 1.547 1.00 0.00 C ATOM 1492 O THR A 102 9.970 -8.077 0.458 1.00 0.00 O ATOM 1493 CB THR A 102 9.784 -9.659 3.115 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.050 -9.958 4.307 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.213 -10.162 3.254 1.00 0.00 C ATOM 0 H THR A 102 7.807 -8.069 2.094 1.00 0.00 H new ATOM 0 HA THR A 102 10.262 -7.629 3.669 1.00 0.00 H new ATOM 0 HB THR A 102 9.319 -10.162 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.068 -10.924 4.469 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.204 -11.236 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.761 -9.959 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.699 -9.652 4.086 1.00 0.00 H new ATOM 1503 N ILE A 103 11.729 -7.361 1.666 1.00 0.00 N ATOM 1504 CA ILE A 103 12.541 -7.045 0.498 1.00 0.00 C ATOM 1505 C ILE A 103 13.991 -7.469 0.706 1.00 0.00 C ATOM 1506 O ILE A 103 14.674 -6.962 1.595 1.00 0.00 O ATOM 1507 CB ILE A 103 12.500 -5.540 0.172 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.051 -5.057 0.077 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.244 -5.258 -1.124 1.00 0.00 C ATOM 1510 CD1 ILE A 103 10.871 -3.607 0.468 1.00 0.00 C ATOM 0 H ILE A 103 12.183 -7.171 2.559 1.00 0.00 H new ATOM 0 HA ILE A 103 12.118 -7.601 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 103 12.994 -4.995 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.696 -5.196 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.427 -5.678 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.206 -4.190 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.283 -5.571 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.777 -5.810 -1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 103 9.820 -3.333 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.195 -3.465 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.469 -2.976 -0.190 1.00 0.00 H new ATOM 1522 N GLN A 104 14.455 -8.400 -0.121 1.00 0.00 N ATOM 1523 CA GLN A 104 15.825 -8.891 -0.027 1.00 0.00 C ATOM 1524 C GLN A 104 16.716 -8.219 -1.066 1.00 0.00 C ATOM 1525 O GLN A 104 16.231 -7.709 -2.076 1.00 0.00 O ATOM 1526 CB GLN A 104 15.859 -10.409 -0.215 1.00 0.00 C ATOM 1527 CG GLN A 104 15.055 -11.169 0.828 1.00 0.00 C ATOM 1528 CD GLN A 104 15.822 -11.376 2.119 1.00 0.00 C ATOM 1529 OE1 GLN A 104 16.946 -10.896 2.271 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.218 -12.095 3.058 1.00 0.00 N ATOM 0 H GLN A 104 13.903 -8.829 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 104 16.205 -8.646 0.965 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.476 -10.653 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.894 -10.748 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.135 -10.624 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.765 -12.138 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.286 -12.474 2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.686 -12.268 3.948 1.00 0.00 H new ATOM 1539 N GLU A 105 18.020 -8.222 -0.811 1.00 0.00 N ATOM 1540 CA GLU A 105 18.979 -7.610 -1.724 1.00 0.00 C ATOM 1541 C GLU A 105 19.438 -8.611 -2.781 1.00 0.00 C ATOM 1542 O GLU A 105 19.669 -9.783 -2.483 1.00 0.00 O ATOM 1543 CB GLU A 105 20.187 -7.079 -0.951 1.00 0.00 C ATOM 1544 CG GLU A 105 19.939 -5.737 -0.282 1.00 0.00 C ATOM 1545 CD GLU A 105 21.015 -5.379 0.725 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.137 -5.036 0.299 1.00 0.00 O ATOM 1547 OE2 GLU A 105 20.733 -5.443 1.940 1.00 0.00 O ATOM 0 H GLU A 105 18.437 -8.641 0.020 1.00 0.00 H new ATOM 0 HA GLU A 105 18.484 -6.778 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.471 -7.807 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.032 -6.985 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.887 -4.960 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 105 18.971 -5.758 0.218 1.00 0.00 H new ATOM 1554 N SER A 106 19.567 -8.140 -4.017 1.00 0.00 N ATOM 1555 CA SER A 106 19.993 -8.993 -5.120 1.00 0.00 C ATOM 1556 C SER A 106 21.353 -9.620 -4.827 1.00 0.00 C ATOM 1557 O SER A 106 22.206 -9.008 -4.184 1.00 0.00 O ATOM 1558 CB SER A 106 20.060 -8.188 -6.419 1.00 0.00 C ATOM 1559 OG SER A 106 20.771 -6.977 -6.233 1.00 0.00 O ATOM 0 H SER A 106 19.383 -7.172 -4.280 1.00 0.00 H new ATOM 0 HA SER A 106 19.260 -9.792 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 106 20.544 -8.782 -7.194 1.00 0.00 H new ATOM 0 HB3 SER A 106 19.051 -7.971 -6.768 1.00 0.00 H new ATOM 0 HG SER A 106 20.801 -6.482 -7.078 1.00 0.00 H new ATOM 1565 N SER A 107 21.547 -10.846 -5.302 1.00 0.00 N ATOM 1566 CA SER A 107 22.801 -11.559 -5.089 1.00 0.00 C ATOM 1567 C SER A 107 23.795 -11.256 -6.206 1.00 0.00 C ATOM 1568 O SER A 107 23.420 -11.141 -7.372 1.00 0.00 O ATOM 1569 CB SER A 107 22.549 -13.066 -5.010 1.00 0.00 C ATOM 1570 OG SER A 107 23.765 -13.790 -5.060 1.00 0.00 O ATOM 0 H SER A 107 20.852 -11.366 -5.837 1.00 0.00 H new ATOM 0 HA SER A 107 23.227 -11.219 -4.145 1.00 0.00 H new ATOM 0 HB2 SER A 107 22.020 -13.301 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 107 21.905 -13.374 -5.834 1.00 0.00 H new ATOM 0 HG SER A 107 23.576 -14.750 -5.006 1.00 0.00 H new ATOM 1576 N GLY A 108 25.067 -11.128 -5.839 1.00 0.00 N ATOM 1577 CA GLY A 108 26.097 -10.840 -6.821 1.00 0.00 C ATOM 1578 C GLY A 108 27.368 -10.309 -6.189 1.00 0.00 C ATOM 1579 O GLY A 108 27.583 -10.426 -4.982 1.00 0.00 O ATOM 0 H GLY A 108 25.402 -11.219 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 108 26.325 -11.747 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 108 25.718 -10.110 -7.537 1.00 0.00 H new ATOM 1583 N PRO A 109 28.238 -9.709 -7.014 1.00 0.00 N ATOM 1584 CA PRO A 109 29.510 -9.146 -6.551 1.00 0.00 C ATOM 1585 C PRO A 109 29.315 -7.901 -5.694 1.00 0.00 C ATOM 1586 O PRO A 109 30.278 -7.338 -5.172 1.00 0.00 O ATOM 1587 CB PRO A 109 30.236 -8.792 -7.852 1.00 0.00 C ATOM 1588 CG PRO A 109 29.148 -8.583 -8.848 1.00 0.00 C ATOM 1589 CD PRO A 109 28.047 -9.533 -8.464 1.00 0.00 C ATOM 0 HA PRO A 109 30.058 -9.844 -5.918 1.00 0.00 H new ATOM 0 HB2 PRO A 109 30.843 -7.894 -7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 109 30.907 -9.593 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 109 28.797 -7.551 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 109 29.501 -8.783 -9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 109 27.064 -9.122 -8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 109 28.129 -10.480 -8.998 1.00 0.00 H new ATOM 1597 N SER A 110 28.064 -7.476 -5.551 1.00 0.00 N ATOM 1598 CA SER A 110 27.743 -6.294 -4.759 1.00 0.00 C ATOM 1599 C SER A 110 26.501 -6.533 -3.906 1.00 0.00 C ATOM 1600 O SER A 110 25.637 -7.335 -4.259 1.00 0.00 O ATOM 1601 CB SER A 110 27.525 -5.086 -5.672 1.00 0.00 C ATOM 1602 OG SER A 110 26.271 -5.162 -6.327 1.00 0.00 O ATOM 0 H SER A 110 27.256 -7.933 -5.973 1.00 0.00 H new ATOM 0 HA SER A 110 28.584 -6.091 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.578 -4.169 -5.086 1.00 0.00 H new ATOM 0 HB3 SER A 110 28.323 -5.037 -6.413 1.00 0.00 H new ATOM 0 HG SER A 110 26.155 -4.378 -6.903 1.00 0.00 H new ATOM 1608 N SER A 111 26.420 -5.830 -2.781 1.00 0.00 N ATOM 1609 CA SER A 111 25.286 -5.967 -1.874 1.00 0.00 C ATOM 1610 C SER A 111 23.968 -5.805 -2.624 1.00 0.00 C ATOM 1611 O SER A 111 23.056 -6.619 -2.484 1.00 0.00 O ATOM 1612 CB SER A 111 25.377 -4.933 -0.750 1.00 0.00 C ATOM 1613 OG SER A 111 24.685 -5.374 0.406 1.00 0.00 O ATOM 0 H SER A 111 27.126 -5.160 -2.476 1.00 0.00 H new ATOM 0 HA SER A 111 25.317 -6.967 -1.441 1.00 0.00 H new ATOM 0 HB2 SER A 111 26.423 -4.750 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 111 24.959 -3.985 -1.089 1.00 0.00 H new ATOM 0 HG SER A 111 23.729 -5.184 0.307 1.00 0.00 H new ATOM 1619 N GLY A 112 23.875 -4.745 -3.422 1.00 0.00 N ATOM 1620 CA GLY A 112 22.665 -4.494 -4.184 1.00 0.00 C ATOM 1621 C GLY A 112 22.880 -4.636 -5.677 1.00 0.00 C ATOM 1622 O GLY A 112 23.564 -5.555 -6.128 1.00 0.00 O ATOM 0 H GLY A 112 24.615 -4.056 -3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 112 21.888 -5.188 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 112 22.304 -3.489 -3.966 1.00 0.00 H new TER 1626 GLY A 112