USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 85 LYS NZ :NH3+ -148:sc= 0.0726 (180deg=0.00256) USER MOD Set 1.2: A 87 TYR OH : rot 14:sc= -1.18! 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 -69:sc= 0.436 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.29 K(o=-2.3,f=-4.1) USER MOD Single : A 14 GLN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.915 K(o=-0.91,f=-7.4!) USER MOD Single : A 24 SER OG : rot -116:sc= 1.21 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.634 K(o=-0.63,f=-4.6!) USER MOD Single : A 31 SER OG : rot -51:sc= 0.497 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 68:sc= -0.522 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 100:sc= 0.196 USER MOD Single : A 54 MET CE :methyl -175:sc= -7.73! (180deg=-7.9!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -19:sc= 0.645 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 90 CYS SG : rot 65:sc= -1.02 USER MOD Single : A 91 GLN : amide:sc= 0.178 K(o=0.18,f=-5.3!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= 0.0883 (180deg=-0.0553) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.058 -26.526 12.268 1.00 0.00 N ATOM 2 CA GLY A 1 3.401 -26.068 12.723 1.00 0.00 C ATOM 3 C GLY A 1 3.746 -24.684 12.211 1.00 0.00 C ATOM 4 O GLY A 1 4.676 -24.522 11.420 1.00 0.00 O ATOM 0 H1 GLY A 1 1.870 -27.477 12.645 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.331 -25.867 12.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.035 -26.554 11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.431 -26.067 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.157 -26.776 12.384 1.00 0.00 H new ATOM 10 N SER A 2 2.997 -23.684 12.662 1.00 0.00 N ATOM 11 CA SER A 2 3.229 -22.306 12.243 1.00 0.00 C ATOM 12 C SER A 2 4.236 -21.621 13.159 1.00 0.00 C ATOM 13 O SER A 2 4.013 -21.498 14.364 1.00 0.00 O ATOM 14 CB SER A 2 1.913 -21.525 12.237 1.00 0.00 C ATOM 15 OG SER A 2 1.279 -21.603 10.972 1.00 0.00 O ATOM 0 H SER A 2 2.224 -23.801 13.317 1.00 0.00 H new ATOM 0 HA SER A 2 3.638 -22.323 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.248 -21.920 13.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.105 -20.482 12.487 1.00 0.00 H new ATOM 0 HG SER A 2 0.440 -21.097 10.995 1.00 0.00 H new ATOM 21 N SER A 3 5.346 -21.175 12.581 1.00 0.00 N ATOM 22 CA SER A 3 6.389 -20.501 13.345 1.00 0.00 C ATOM 23 C SER A 3 7.341 -19.747 12.421 1.00 0.00 C ATOM 24 O SER A 3 8.506 -20.117 12.274 1.00 0.00 O ATOM 25 CB SER A 3 7.169 -21.514 14.187 1.00 0.00 C ATOM 26 OG SER A 3 8.263 -20.898 14.842 1.00 0.00 O ATOM 0 H SER A 3 5.547 -21.268 11.585 1.00 0.00 H new ATOM 0 HA SER A 3 5.911 -19.780 14.008 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.506 -21.965 14.925 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.530 -22.320 13.549 1.00 0.00 H new ATOM 0 HG SER A 3 8.938 -20.641 14.180 1.00 0.00 H new ATOM 32 N GLY A 4 6.835 -18.687 11.797 1.00 0.00 N ATOM 33 CA GLY A 4 7.651 -17.898 10.894 1.00 0.00 C ATOM 34 C GLY A 4 7.346 -16.416 10.979 1.00 0.00 C ATOM 35 O GLY A 4 8.194 -15.623 11.391 1.00 0.00 O ATOM 0 H GLY A 4 5.874 -18.361 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.704 -18.062 11.124 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.490 -18.240 9.872 1.00 0.00 H new ATOM 39 N SER A 5 6.132 -16.040 10.589 1.00 0.00 N ATOM 40 CA SER A 5 5.717 -14.643 10.623 1.00 0.00 C ATOM 41 C SER A 5 4.198 -14.524 10.557 1.00 0.00 C ATOM 42 O SER A 5 3.574 -13.925 11.433 1.00 0.00 O ATOM 43 CB SER A 5 6.351 -13.872 9.464 1.00 0.00 C ATOM 44 OG SER A 5 6.749 -12.574 9.870 1.00 0.00 O ATOM 0 H SER A 5 5.419 -16.684 10.246 1.00 0.00 H new ATOM 0 HA SER A 5 6.056 -14.213 11.565 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.215 -14.420 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.640 -13.797 8.641 1.00 0.00 H new ATOM 0 HG SER A 5 7.153 -12.103 9.111 1.00 0.00 H new ATOM 50 N SER A 6 3.609 -15.096 9.513 1.00 0.00 N ATOM 51 CA SER A 6 2.163 -15.055 9.332 1.00 0.00 C ATOM 52 C SER A 6 1.542 -16.423 9.587 1.00 0.00 C ATOM 53 O SER A 6 0.745 -16.593 10.509 1.00 0.00 O ATOM 54 CB SER A 6 1.817 -14.579 7.920 1.00 0.00 C ATOM 55 OG SER A 6 0.415 -14.573 7.711 1.00 0.00 O ATOM 0 H SER A 6 4.111 -15.594 8.778 1.00 0.00 H new ATOM 0 HA SER A 6 1.753 -14.351 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.215 -13.576 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.294 -15.229 7.187 1.00 0.00 H new ATOM 0 HG SER A 6 0.221 -14.263 6.802 1.00 0.00 H new ATOM 61 N GLY A 7 1.913 -17.399 8.764 1.00 0.00 N ATOM 62 CA GLY A 7 1.383 -18.742 8.917 1.00 0.00 C ATOM 63 C GLY A 7 0.432 -19.122 7.799 1.00 0.00 C ATOM 64 O GLY A 7 -0.572 -19.794 8.031 1.00 0.00 O ATOM 0 H GLY A 7 2.571 -17.284 7.994 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.208 -19.454 8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.864 -18.818 9.873 1.00 0.00 H new ATOM 68 N ASN A 8 0.748 -18.689 6.582 1.00 0.00 N ATOM 69 CA ASN A 8 -0.086 -18.988 5.425 1.00 0.00 C ATOM 70 C ASN A 8 0.603 -19.992 4.504 1.00 0.00 C ATOM 71 O ASN A 8 1.212 -19.615 3.503 1.00 0.00 O ATOM 72 CB ASN A 8 -0.402 -17.706 4.654 1.00 0.00 C ATOM 73 CG ASN A 8 -1.609 -17.860 3.746 1.00 0.00 C ATOM 74 OD1 ASN A 8 -2.055 -18.973 3.472 1.00 0.00 O ATOM 75 ND2 ASN A 8 -2.142 -16.738 3.277 1.00 0.00 N ATOM 0 H ASN A 8 1.575 -18.130 6.373 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.017 -19.428 5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.583 -16.896 5.360 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.464 -17.421 4.057 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.955 -16.778 2.663 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.738 -15.836 3.531 1.00 0.00 H new ATOM 82 N GLU A 9 0.500 -21.271 4.851 1.00 0.00 N ATOM 83 CA GLU A 9 1.113 -22.329 4.056 1.00 0.00 C ATOM 84 C GLU A 9 0.430 -22.456 2.699 1.00 0.00 C ATOM 85 O GLU A 9 1.064 -22.807 1.704 1.00 0.00 O ATOM 86 CB GLU A 9 1.042 -23.662 4.803 1.00 0.00 C ATOM 87 CG GLU A 9 1.674 -23.619 6.185 1.00 0.00 C ATOM 88 CD GLU A 9 2.564 -24.816 6.458 1.00 0.00 C ATOM 89 OE1 GLU A 9 2.197 -25.935 6.047 1.00 0.00 O ATOM 90 OE2 GLU A 9 3.631 -24.632 7.083 1.00 0.00 O ATOM 0 H GLU A 9 -0.001 -21.599 5.676 1.00 0.00 H new ATOM 0 HA GLU A 9 2.158 -22.067 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.002 -23.960 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.539 -24.429 4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.260 -22.705 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.888 -23.576 6.939 1.00 0.00 H new ATOM 97 N GLU A 10 -0.867 -22.168 2.664 1.00 0.00 N ATOM 98 CA GLU A 10 -1.636 -22.250 1.428 1.00 0.00 C ATOM 99 C GLU A 10 -1.190 -21.179 0.438 1.00 0.00 C ATOM 100 O GLU A 10 -1.272 -21.369 -0.775 1.00 0.00 O ATOM 101 CB GLU A 10 -3.130 -22.100 1.722 1.00 0.00 C ATOM 102 CG GLU A 10 -4.018 -22.882 0.767 1.00 0.00 C ATOM 103 CD GLU A 10 -3.836 -22.460 -0.678 1.00 0.00 C ATOM 104 OE1 GLU A 10 -4.314 -21.364 -1.040 1.00 0.00 O ATOM 105 OE2 GLU A 10 -3.216 -23.225 -1.446 1.00 0.00 O ATOM 0 H GLU A 10 -1.408 -21.876 3.478 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.457 -23.228 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.327 -22.431 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.398 -21.045 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.798 -23.945 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.061 -22.745 1.053 1.00 0.00 H new ATOM 112 N LEU A 11 -0.720 -20.052 0.964 1.00 0.00 N ATOM 113 CA LEU A 11 -0.261 -18.950 0.126 1.00 0.00 C ATOM 114 C LEU A 11 1.257 -18.971 -0.018 1.00 0.00 C ATOM 115 O LEU A 11 1.892 -17.925 -0.151 1.00 0.00 O ATOM 116 CB LEU A 11 -0.711 -17.612 0.716 1.00 0.00 C ATOM 117 CG LEU A 11 -0.844 -16.471 -0.293 1.00 0.00 C ATOM 118 CD1 LEU A 11 -2.240 -16.452 -0.896 1.00 0.00 C ATOM 119 CD2 LEU A 11 -0.528 -15.137 0.367 1.00 0.00 C ATOM 0 H LEU A 11 -0.647 -19.878 1.966 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.703 -19.070 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.673 -17.755 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.001 -17.314 1.486 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.126 -16.636 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.316 -15.633 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.430 -17.397 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.976 -16.312 -0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.628 -14.336 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.222 -14.965 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.492 -15.153 0.750 1.00 0.00 H new ATOM 131 N ARG A 12 1.833 -20.168 0.009 1.00 0.00 N ATOM 132 CA ARG A 12 3.277 -20.324 -0.119 1.00 0.00 C ATOM 133 C ARG A 12 3.644 -20.895 -1.485 1.00 0.00 C ATOM 134 O ARG A 12 4.704 -20.592 -2.032 1.00 0.00 O ATOM 135 CB ARG A 12 3.814 -21.234 0.990 1.00 0.00 C ATOM 136 CG ARG A 12 4.996 -20.641 1.742 1.00 0.00 C ATOM 137 CD ARG A 12 4.755 -20.622 3.243 1.00 0.00 C ATOM 138 NE ARG A 12 5.218 -19.379 3.857 1.00 0.00 N ATOM 139 CZ ARG A 12 6.494 -19.121 4.135 1.00 0.00 C ATOM 140 NH1 ARG A 12 7.436 -20.014 3.858 1.00 0.00 N ATOM 141 NH2 ARG A 12 6.830 -17.965 4.692 1.00 0.00 N ATOM 0 H ARG A 12 1.322 -21.044 0.118 1.00 0.00 H new ATOM 0 HA ARG A 12 3.734 -19.339 -0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.012 -21.444 1.697 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.112 -22.188 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.893 -21.220 1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.179 -19.626 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.691 -20.749 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.268 -21.467 3.703 1.00 0.00 H new ATOM 0 HE ARG A 12 4.523 -18.668 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.184 -20.905 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.412 -19.810 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.111 -17.274 4.907 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.808 -17.767 4.905 1.00 0.00 H new ATOM 155 N ALA A 13 2.758 -21.722 -2.032 1.00 0.00 N ATOM 156 CA ALA A 13 2.989 -22.335 -3.335 1.00 0.00 C ATOM 157 C ALA A 13 2.808 -21.318 -4.458 1.00 0.00 C ATOM 158 O ALA A 13 3.497 -21.374 -5.476 1.00 0.00 O ATOM 159 CB ALA A 13 2.052 -23.517 -3.536 1.00 0.00 C ATOM 0 H ALA A 13 1.875 -21.983 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 13 4.018 -22.692 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.236 -23.965 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.230 -24.259 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.018 -23.175 -3.482 1.00 0.00 H new ATOM 165 N GLN A 14 1.878 -20.390 -4.263 1.00 0.00 N ATOM 166 CA GLN A 14 1.606 -19.359 -5.259 1.00 0.00 C ATOM 167 C GLN A 14 2.661 -18.257 -5.202 1.00 0.00 C ATOM 168 O GLN A 14 3.019 -17.674 -6.225 1.00 0.00 O ATOM 169 CB GLN A 14 0.216 -18.762 -5.039 1.00 0.00 C ATOM 170 CG GLN A 14 -0.330 -18.028 -6.253 1.00 0.00 C ATOM 171 CD GLN A 14 -1.092 -18.942 -7.192 1.00 0.00 C ATOM 172 OE1 GLN A 14 -2.156 -19.458 -6.849 1.00 0.00 O ATOM 173 NE2 GLN A 14 -0.550 -19.149 -8.387 1.00 0.00 N ATOM 0 H GLN A 14 1.300 -20.330 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 14 1.642 -19.822 -6.245 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.474 -19.560 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.255 -18.073 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.987 -17.224 -5.922 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.495 -17.564 -6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.334 -18.701 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.017 -19.755 -9.061 1.00 0.00 H new ATOM 182 N GLN A 15 3.152 -17.978 -3.999 1.00 0.00 N ATOM 183 CA GLN A 15 4.164 -16.946 -3.808 1.00 0.00 C ATOM 184 C GLN A 15 5.558 -17.561 -3.717 1.00 0.00 C ATOM 185 O GLN A 15 6.438 -17.032 -3.038 1.00 0.00 O ATOM 186 CB GLN A 15 3.868 -16.139 -2.543 1.00 0.00 C ATOM 187 CG GLN A 15 2.433 -15.643 -2.460 1.00 0.00 C ATOM 188 CD GLN A 15 2.339 -14.130 -2.420 1.00 0.00 C ATOM 189 OE1 GLN A 15 2.006 -13.489 -3.417 1.00 0.00 O ATOM 190 NE2 GLN A 15 2.634 -13.550 -1.262 1.00 0.00 N ATOM 0 H GLN A 15 2.866 -18.452 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 15 4.135 -16.280 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.082 -16.756 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.542 -15.284 -2.501 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.874 -16.015 -3.318 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.961 -16.056 -1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.905 -14.120 -0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.589 -12.535 -1.174 1.00 0.00 H new ATOM 199 N GLU A 16 5.752 -18.681 -4.406 1.00 0.00 N ATOM 200 CA GLU A 16 7.039 -19.367 -4.403 1.00 0.00 C ATOM 201 C GLU A 16 7.923 -18.870 -5.543 1.00 0.00 C ATOM 202 O GLU A 16 8.924 -18.190 -5.315 1.00 0.00 O ATOM 203 CB GLU A 16 6.833 -20.880 -4.516 1.00 0.00 C ATOM 204 CG GLU A 16 7.334 -21.653 -3.308 1.00 0.00 C ATOM 205 CD GLU A 16 7.004 -23.131 -3.383 1.00 0.00 C ATOM 206 OE1 GLU A 16 7.218 -23.733 -4.456 1.00 0.00 O ATOM 207 OE2 GLU A 16 6.529 -23.686 -2.369 1.00 0.00 O ATOM 0 H GLU A 16 5.035 -19.133 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 16 7.540 -19.147 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.771 -21.085 -4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.345 -21.243 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.414 -21.529 -3.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.894 -21.232 -2.404 1.00 0.00 H new ATOM 214 N ALA A 17 7.547 -19.214 -6.770 1.00 0.00 N ATOM 215 CA ALA A 17 8.305 -18.804 -7.945 1.00 0.00 C ATOM 216 C ALA A 17 7.510 -17.817 -8.795 1.00 0.00 C ATOM 217 O ALA A 17 8.078 -16.913 -9.407 1.00 0.00 O ATOM 218 CB ALA A 17 8.695 -20.020 -8.772 1.00 0.00 C ATOM 0 H ALA A 17 6.721 -19.776 -6.976 1.00 0.00 H new ATOM 0 HA ALA A 17 9.211 -18.303 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.261 -19.699 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.309 -20.689 -8.168 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.796 -20.545 -9.094 1.00 0.00 H new ATOM 224 N GLU A 18 6.195 -17.997 -8.827 1.00 0.00 N ATOM 225 CA GLU A 18 5.322 -17.123 -9.602 1.00 0.00 C ATOM 226 C GLU A 18 5.360 -15.698 -9.059 1.00 0.00 C ATOM 227 O GLU A 18 5.578 -14.744 -9.806 1.00 0.00 O ATOM 228 CB GLU A 18 3.887 -17.651 -9.583 1.00 0.00 C ATOM 229 CG GLU A 18 3.783 -19.139 -9.876 1.00 0.00 C ATOM 230 CD GLU A 18 2.353 -19.592 -10.093 1.00 0.00 C ATOM 231 OE1 GLU A 18 1.511 -18.745 -10.464 1.00 0.00 O ATOM 232 OE2 GLU A 18 2.071 -20.792 -9.891 1.00 0.00 O ATOM 0 H GLU A 18 5.709 -18.740 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 18 5.682 -17.111 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.447 -17.450 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.297 -17.102 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.373 -19.373 -10.762 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.216 -19.700 -9.048 1.00 0.00 H new ATOM 239 N ALA A 19 5.146 -15.562 -7.754 1.00 0.00 N ATOM 240 CA ALA A 19 5.155 -14.253 -7.112 1.00 0.00 C ATOM 241 C ALA A 19 6.510 -13.968 -6.471 1.00 0.00 C ATOM 242 O ALA A 19 6.586 -13.400 -5.382 1.00 0.00 O ATOM 243 CB ALA A 19 4.049 -14.169 -6.071 1.00 0.00 C ATOM 0 H ALA A 19 4.965 -16.341 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 19 4.977 -13.497 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.067 -13.186 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.083 -14.322 -6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.203 -14.938 -5.314 1.00 0.00 H new ATOM 249 N ALA A 20 7.577 -14.366 -7.156 1.00 0.00 N ATOM 250 CA ALA A 20 8.930 -14.152 -6.655 1.00 0.00 C ATOM 251 C ALA A 20 9.857 -13.670 -7.766 1.00 0.00 C ATOM 252 O ALA A 20 10.393 -12.563 -7.703 1.00 0.00 O ATOM 253 CB ALA A 20 9.468 -15.433 -6.034 1.00 0.00 C ATOM 0 H ALA A 20 7.531 -14.838 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 20 8.891 -13.377 -5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.479 -15.261 -5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.825 -15.735 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.486 -16.222 -6.786 1.00 0.00 H new ATOM 259 N GLN A 21 10.042 -14.507 -8.781 1.00 0.00 N ATOM 260 CA GLN A 21 10.906 -14.164 -9.906 1.00 0.00 C ATOM 261 C GLN A 21 10.193 -13.224 -10.872 1.00 0.00 C ATOM 262 O GLN A 21 10.788 -12.275 -11.383 1.00 0.00 O ATOM 263 CB GLN A 21 11.348 -15.431 -10.640 1.00 0.00 C ATOM 264 CG GLN A 21 12.449 -16.197 -9.925 1.00 0.00 C ATOM 265 CD GLN A 21 11.933 -17.425 -9.202 1.00 0.00 C ATOM 266 OE1 GLN A 21 10.758 -17.776 -9.313 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.810 -18.084 -8.454 1.00 0.00 N ATOM 0 H GLN A 21 9.606 -15.427 -8.848 1.00 0.00 H new ATOM 0 HA GLN A 21 11.786 -13.654 -9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.486 -16.086 -10.768 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.694 -15.161 -11.638 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.206 -16.498 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.938 -15.537 -9.208 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.774 -17.757 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.520 -18.917 -7.942 1.00 0.00 H new ATOM 276 N ARG A 22 8.916 -13.494 -11.118 1.00 0.00 N ATOM 277 CA ARG A 22 8.122 -12.672 -12.024 1.00 0.00 C ATOM 278 C ARG A 22 7.676 -11.384 -11.338 1.00 0.00 C ATOM 279 O ARG A 22 7.581 -10.333 -11.972 1.00 0.00 O ATOM 280 CB ARG A 22 6.901 -13.450 -12.516 1.00 0.00 C ATOM 281 CG ARG A 22 7.253 -14.726 -13.263 1.00 0.00 C ATOM 282 CD ARG A 22 7.054 -14.568 -14.762 1.00 0.00 C ATOM 283 NE ARG A 22 7.789 -15.576 -15.522 1.00 0.00 N ATOM 284 CZ ARG A 22 7.979 -15.520 -16.838 1.00 0.00 C ATOM 285 NH1 ARG A 22 7.493 -14.507 -17.544 1.00 0.00 N ATOM 286 NH2 ARG A 22 8.660 -16.480 -17.451 1.00 0.00 N ATOM 0 H ARG A 22 8.408 -14.275 -10.703 1.00 0.00 H new ATOM 0 HA ARG A 22 8.746 -12.411 -12.879 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.272 -13.701 -11.662 1.00 0.00 H new ATOM 0 HB3 ARG A 22 6.310 -12.808 -13.169 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.290 -14.994 -13.059 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.634 -15.545 -12.897 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.992 -14.641 -14.996 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.380 -13.574 -15.068 1.00 0.00 H new ATOM 0 HE ARG A 22 8.180 -16.370 -15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.970 -13.765 -17.078 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.642 -14.470 -18.552 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.038 -17.260 -16.914 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.806 -16.437 -18.460 1.00 0.00 H new ATOM 300 N LEU A 23 7.403 -11.473 -10.041 1.00 0.00 N ATOM 301 CA LEU A 23 6.966 -10.316 -9.271 1.00 0.00 C ATOM 302 C LEU A 23 8.133 -9.696 -8.508 1.00 0.00 C ATOM 303 O LEU A 23 7.967 -9.197 -7.396 1.00 0.00 O ATOM 304 CB LEU A 23 5.858 -10.716 -8.293 1.00 0.00 C ATOM 305 CG LEU A 23 5.027 -9.555 -7.746 1.00 0.00 C ATOM 306 CD1 LEU A 23 4.208 -8.914 -8.856 1.00 0.00 C ATOM 307 CD2 LEU A 23 4.121 -10.034 -6.621 1.00 0.00 C ATOM 0 H LEU A 23 7.477 -12.335 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 23 6.576 -9.574 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.190 -11.418 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.309 -11.247 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 23 5.707 -8.803 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.623 -8.090 -8.447 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.876 -8.536 -9.630 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.536 -9.656 -9.288 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.536 -9.195 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.449 -10.804 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.728 -10.446 -5.815 1.00 0.00 H new ATOM 319 N SER A 24 9.316 -9.733 -9.115 1.00 0.00 N ATOM 320 CA SER A 24 10.511 -9.175 -8.493 1.00 0.00 C ATOM 321 C SER A 24 10.609 -7.676 -8.755 1.00 0.00 C ATOM 322 O SER A 24 11.072 -6.915 -7.904 1.00 0.00 O ATOM 323 CB SER A 24 11.762 -9.879 -9.019 1.00 0.00 C ATOM 324 OG SER A 24 11.652 -10.151 -10.405 1.00 0.00 O ATOM 0 H SER A 24 9.472 -10.143 -10.036 1.00 0.00 H new ATOM 0 HA SER A 24 10.439 -9.335 -7.417 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.637 -9.256 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 24 11.915 -10.810 -8.474 1.00 0.00 H new ATOM 0 HG SER A 24 11.648 -11.120 -10.549 1.00 0.00 H new ATOM 330 N GLU A 25 10.170 -7.257 -9.937 1.00 0.00 N ATOM 331 CA GLU A 25 10.207 -5.848 -10.311 1.00 0.00 C ATOM 332 C GLU A 25 9.138 -5.058 -9.563 1.00 0.00 C ATOM 333 O GLU A 25 9.371 -3.926 -9.139 1.00 0.00 O ATOM 334 CB GLU A 25 10.013 -5.696 -11.822 1.00 0.00 C ATOM 335 CG GLU A 25 11.129 -4.919 -12.502 1.00 0.00 C ATOM 336 CD GLU A 25 11.070 -5.016 -14.015 1.00 0.00 C ATOM 337 OE1 GLU A 25 11.076 -6.151 -14.538 1.00 0.00 O ATOM 338 OE2 GLU A 25 11.016 -3.958 -14.676 1.00 0.00 O ATOM 0 H GLU A 25 9.784 -7.873 -10.653 1.00 0.00 H new ATOM 0 HA GLU A 25 11.183 -5.449 -10.036 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.944 -6.686 -12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.064 -5.193 -12.010 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.070 -3.872 -12.206 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.092 -5.294 -12.155 1.00 0.00 H new ATOM 345 N GLU A 26 7.965 -5.662 -9.406 1.00 0.00 N ATOM 346 CA GLU A 26 6.860 -5.015 -8.708 1.00 0.00 C ATOM 347 C GLU A 26 7.089 -5.021 -7.200 1.00 0.00 C ATOM 348 O GLU A 26 6.668 -4.105 -6.494 1.00 0.00 O ATOM 349 CB GLU A 26 5.539 -5.715 -9.039 1.00 0.00 C ATOM 350 CG GLU A 26 4.777 -5.065 -10.182 1.00 0.00 C ATOM 351 CD GLU A 26 3.582 -5.885 -10.627 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.823 -6.354 -9.753 1.00 0.00 O ATOM 353 OE2 GLU A 26 3.405 -6.060 -11.852 1.00 0.00 O ATOM 0 H GLU A 26 7.755 -6.598 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 26 6.808 -3.979 -9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.742 -6.755 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.908 -5.722 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.439 -4.076 -9.873 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.450 -4.922 -11.027 1.00 0.00 H new ATOM 360 N LYS A 27 7.759 -6.061 -6.714 1.00 0.00 N ATOM 361 CA LYS A 27 8.045 -6.186 -5.290 1.00 0.00 C ATOM 362 C LYS A 27 9.019 -5.106 -4.832 1.00 0.00 C ATOM 363 O LYS A 27 8.863 -4.532 -3.754 1.00 0.00 O ATOM 364 CB LYS A 27 8.621 -7.570 -4.984 1.00 0.00 C ATOM 365 CG LYS A 27 8.882 -7.808 -3.505 1.00 0.00 C ATOM 366 CD LYS A 27 8.679 -9.266 -3.131 1.00 0.00 C ATOM 367 CE LYS A 27 10.002 -10.013 -3.059 1.00 0.00 C ATOM 368 NZ LYS A 27 9.920 -11.201 -2.166 1.00 0.00 N ATOM 0 H LYS A 27 8.114 -6.828 -7.285 1.00 0.00 H new ATOM 0 HA LYS A 27 7.109 -6.060 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.931 -8.330 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.554 -7.696 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.901 -7.507 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.215 -7.183 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.172 -9.328 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.030 -9.744 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.295 -10.331 -4.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.780 -9.340 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.841 -11.683 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.666 -10.896 -1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.196 -11.855 -2.525 1.00 0.00 H new ATOM 382 N ALA A 28 10.022 -4.833 -5.659 1.00 0.00 N ATOM 383 CA ALA A 28 11.021 -3.820 -5.340 1.00 0.00 C ATOM 384 C ALA A 28 10.373 -2.451 -5.153 1.00 0.00 C ATOM 385 O ALA A 28 10.850 -1.629 -4.372 1.00 0.00 O ATOM 386 CB ALA A 28 12.081 -3.763 -6.431 1.00 0.00 C ATOM 0 H ALA A 28 10.165 -5.299 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 28 11.499 -4.097 -4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.821 -3.003 -6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.571 -4.733 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.611 -3.512 -7.382 1.00 0.00 H new ATOM 392 N GLN A 29 9.282 -2.216 -5.876 1.00 0.00 N ATOM 393 CA GLN A 29 8.567 -0.948 -5.790 1.00 0.00 C ATOM 394 C GLN A 29 7.532 -0.984 -4.671 1.00 0.00 C ATOM 395 O GLN A 29 7.301 0.016 -3.993 1.00 0.00 O ATOM 396 CB GLN A 29 7.885 -0.634 -7.122 1.00 0.00 C ATOM 397 CG GLN A 29 8.830 -0.659 -8.311 1.00 0.00 C ATOM 398 CD GLN A 29 8.172 -1.190 -9.570 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.974 -1.474 -9.585 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.953 -1.327 -10.635 1.00 0.00 N ATOM 0 H GLN A 29 8.874 -2.887 -6.527 1.00 0.00 H new ATOM 0 HA GLN A 29 9.290 -0.164 -5.566 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.085 -1.355 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.420 0.350 -7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.200 0.349 -8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.695 -1.277 -8.070 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.941 -1.079 -10.578 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.565 -1.680 -11.510 1.00 0.00 H new ATOM 409 N ALA A 30 6.910 -2.145 -4.485 1.00 0.00 N ATOM 410 CA ALA A 30 5.900 -2.312 -3.447 1.00 0.00 C ATOM 411 C ALA A 30 6.538 -2.383 -2.064 1.00 0.00 C ATOM 412 O ALA A 30 5.921 -2.014 -1.065 1.00 0.00 O ATOM 413 CB ALA A 30 5.072 -3.560 -3.713 1.00 0.00 C ATOM 0 H ALA A 30 7.088 -2.982 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 30 5.244 -1.442 -3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.322 -3.673 -2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.577 -3.469 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.723 -4.434 -3.720 1.00 0.00 H new ATOM 419 N SER A 31 7.779 -2.859 -2.012 1.00 0.00 N ATOM 420 CA SER A 31 8.500 -2.977 -0.751 1.00 0.00 C ATOM 421 C SER A 31 9.432 -1.788 -0.543 1.00 0.00 C ATOM 422 O SER A 31 10.488 -1.915 0.076 1.00 0.00 O ATOM 423 CB SER A 31 9.302 -4.280 -0.719 1.00 0.00 C ATOM 424 OG SER A 31 9.818 -4.530 0.578 1.00 0.00 O ATOM 0 H SER A 31 8.305 -3.169 -2.829 1.00 0.00 H new ATOM 0 HA SER A 31 7.769 -2.988 0.057 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.666 -5.110 -1.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.122 -4.224 -1.435 1.00 0.00 H new ATOM 0 HG SER A 31 10.284 -3.732 0.904 1.00 0.00 H new ATOM 430 N ALA A 32 9.033 -0.632 -1.064 1.00 0.00 N ATOM 431 CA ALA A 32 9.832 0.581 -0.934 1.00 0.00 C ATOM 432 C ALA A 32 8.961 1.774 -0.557 1.00 0.00 C ATOM 433 O ALA A 32 9.306 2.550 0.334 1.00 0.00 O ATOM 434 CB ALA A 32 10.580 0.859 -2.229 1.00 0.00 C ATOM 0 H ALA A 32 8.162 -0.510 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 32 10.556 0.427 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.173 1.767 -2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.239 0.021 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.865 0.989 -3.042 1.00 0.00 H new ATOM 440 N ILE A 33 7.829 1.914 -1.241 1.00 0.00 N ATOM 441 CA ILE A 33 6.909 3.013 -0.977 1.00 0.00 C ATOM 442 C ILE A 33 6.129 2.779 0.313 1.00 0.00 C ATOM 443 O ILE A 33 5.315 1.859 0.400 1.00 0.00 O ATOM 444 CB ILE A 33 5.912 3.203 -2.137 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.655 3.255 -3.474 1.00 0.00 C ATOM 446 CG2 ILE A 33 5.093 4.469 -1.931 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.750 3.080 -4.674 1.00 0.00 C ATOM 0 H ILE A 33 7.528 1.280 -1.981 1.00 0.00 H new ATOM 0 HA ILE A 33 7.514 3.914 -0.876 1.00 0.00 H new ATOM 0 HB ILE A 33 5.231 2.352 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.173 4.210 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.418 2.476 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.394 4.589 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.539 4.395 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.759 5.331 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.343 3.128 -5.587 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.251 2.113 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.003 3.874 -4.685 1.00 0.00 H new ATOM 459 N SER A 34 6.385 3.615 1.313 1.00 0.00 N ATOM 460 CA SER A 34 5.707 3.499 2.598 1.00 0.00 C ATOM 461 C SER A 34 4.313 4.115 2.536 1.00 0.00 C ATOM 462 O SER A 34 3.907 4.654 1.507 1.00 0.00 O ATOM 463 CB SER A 34 6.528 4.179 3.696 1.00 0.00 C ATOM 464 OG SER A 34 7.693 3.430 3.998 1.00 0.00 O ATOM 0 H SER A 34 7.057 4.380 1.258 1.00 0.00 H new ATOM 0 HA SER A 34 5.607 2.439 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.809 5.182 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.920 4.290 4.594 1.00 0.00 H new ATOM 0 HG SER A 34 8.202 3.886 4.701 1.00 0.00 H new ATOM 470 N VAL A 35 3.584 4.031 3.644 1.00 0.00 N ATOM 471 CA VAL A 35 2.235 4.579 3.716 1.00 0.00 C ATOM 472 C VAL A 35 2.238 5.965 4.352 1.00 0.00 C ATOM 473 O VAL A 35 3.026 6.242 5.257 1.00 0.00 O ATOM 474 CB VAL A 35 1.297 3.661 4.520 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.142 4.143 4.416 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.420 2.222 4.042 1.00 0.00 C ATOM 0 H VAL A 35 3.905 3.588 4.505 1.00 0.00 H new ATOM 0 HA VAL A 35 1.869 4.652 2.692 1.00 0.00 H new ATOM 0 HB VAL A 35 1.593 3.699 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.790 3.481 4.991 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.216 5.156 4.811 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.453 4.137 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.750 1.587 4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.152 2.165 2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.447 1.881 4.174 1.00 0.00 H new ATOM 486 N GLY A 36 1.354 6.833 3.873 1.00 0.00 N ATOM 487 CA GLY A 36 1.271 8.179 4.407 1.00 0.00 C ATOM 488 C GLY A 36 2.418 9.057 3.947 1.00 0.00 C ATOM 489 O GLY A 36 2.986 9.812 4.736 1.00 0.00 O ATOM 0 H GLY A 36 0.693 6.628 3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.327 8.630 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.265 8.135 5.496 1.00 0.00 H new ATOM 493 N SER A 37 2.758 8.958 2.666 1.00 0.00 N ATOM 494 CA SER A 37 3.846 9.750 2.101 1.00 0.00 C ATOM 495 C SER A 37 3.428 10.382 0.778 1.00 0.00 C ATOM 496 O SER A 37 2.969 9.692 -0.133 1.00 0.00 O ATOM 497 CB SER A 37 5.085 8.877 1.896 1.00 0.00 C ATOM 498 OG SER A 37 5.660 8.505 3.136 1.00 0.00 O ATOM 0 H SER A 37 2.297 8.338 2.000 1.00 0.00 H new ATOM 0 HA SER A 37 4.085 10.548 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.814 7.983 1.335 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.819 9.418 1.299 1.00 0.00 H new ATOM 0 HG SER A 37 6.449 7.946 2.976 1.00 0.00 H new ATOM 504 N ARG A 38 3.591 11.697 0.678 1.00 0.00 N ATOM 505 CA ARG A 38 3.232 12.423 -0.534 1.00 0.00 C ATOM 506 C ARG A 38 4.069 11.951 -1.719 1.00 0.00 C ATOM 507 O ARG A 38 5.285 12.134 -1.745 1.00 0.00 O ATOM 508 CB ARG A 38 3.421 13.927 -0.328 1.00 0.00 C ATOM 509 CG ARG A 38 2.429 14.535 0.650 1.00 0.00 C ATOM 510 CD ARG A 38 1.243 15.157 -0.071 1.00 0.00 C ATOM 511 NE ARG A 38 -0.027 14.809 0.562 1.00 0.00 N ATOM 512 CZ ARG A 38 -1.161 15.478 0.366 1.00 0.00 C ATOM 513 NH1 ARG A 38 -1.188 16.530 -0.444 1.00 0.00 N ATOM 514 NH2 ARG A 38 -2.271 15.094 0.982 1.00 0.00 N ATOM 0 H ARG A 38 3.970 12.282 1.423 1.00 0.00 H new ATOM 0 HA ARG A 38 2.183 12.222 -0.750 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.433 14.112 0.032 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.327 14.432 -1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.076 13.766 1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.929 15.294 1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.356 16.241 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.234 14.823 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.046 14.006 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.337 16.829 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.060 17.039 -0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.255 14.287 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.140 15.606 0.832 1.00 0.00 H new ATOM 528 N CYS A 39 3.407 11.342 -2.699 1.00 0.00 N ATOM 529 CA CYS A 39 4.090 10.844 -3.887 1.00 0.00 C ATOM 530 C CYS A 39 3.336 11.236 -5.153 1.00 0.00 C ATOM 531 O CYS A 39 2.120 11.427 -5.127 1.00 0.00 O ATOM 532 CB CYS A 39 4.236 9.323 -3.817 1.00 0.00 C ATOM 533 SG CYS A 39 4.836 8.712 -2.224 1.00 0.00 S ATOM 0 H CYS A 39 2.400 11.182 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 39 5.081 11.296 -3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.269 8.866 -4.029 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.921 8.998 -4.600 1.00 0.00 H new ATOM 0 HG CYS A 39 3.933 8.918 -1.312 1.00 0.00 H new ATOM 539 N GLU A 40 4.064 11.353 -6.258 1.00 0.00 N ATOM 540 CA GLU A 40 3.463 11.721 -7.534 1.00 0.00 C ATOM 541 C GLU A 40 2.883 10.497 -8.235 1.00 0.00 C ATOM 542 O GLU A 40 3.296 9.367 -7.973 1.00 0.00 O ATOM 543 CB GLU A 40 4.498 12.398 -8.434 1.00 0.00 C ATOM 544 CG GLU A 40 4.500 13.914 -8.326 1.00 0.00 C ATOM 545 CD GLU A 40 5.751 14.539 -8.912 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.841 13.950 -8.749 1.00 0.00 O ATOM 547 OE2 GLU A 40 5.641 15.616 -9.534 1.00 0.00 O ATOM 0 H GLU A 40 5.071 11.198 -6.296 1.00 0.00 H new ATOM 0 HA GLU A 40 2.652 12.422 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.489 12.023 -8.180 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.307 12.116 -9.469 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.625 14.312 -8.839 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.412 14.200 -7.278 1.00 0.00 H new ATOM 554 N VAL A 41 1.924 10.729 -9.125 1.00 0.00 N ATOM 555 CA VAL A 41 1.287 9.644 -9.862 1.00 0.00 C ATOM 556 C VAL A 41 1.043 10.035 -11.315 1.00 0.00 C ATOM 557 O VAL A 41 0.578 11.138 -11.602 1.00 0.00 O ATOM 558 CB VAL A 41 -0.052 9.239 -9.220 1.00 0.00 C ATOM 559 CG1 VAL A 41 -0.601 7.983 -9.878 1.00 0.00 C ATOM 560 CG2 VAL A 41 0.113 9.038 -7.721 1.00 0.00 C ATOM 0 H VAL A 41 1.571 11.658 -9.353 1.00 0.00 H new ATOM 0 HA VAL A 41 1.970 8.795 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.768 10.045 -9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.548 7.712 -9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.760 8.169 -10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.111 7.167 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.844 8.752 -7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.845 8.251 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.457 9.966 -7.265 1.00 0.00 H new ATOM 570 N ARG A 42 1.357 9.124 -12.229 1.00 0.00 N ATOM 571 CA ARG A 42 1.168 9.372 -13.654 1.00 0.00 C ATOM 572 C ARG A 42 0.062 8.485 -14.218 1.00 0.00 C ATOM 573 O ARG A 42 0.244 7.279 -14.383 1.00 0.00 O ATOM 574 CB ARG A 42 2.476 9.128 -14.414 1.00 0.00 C ATOM 575 CG ARG A 42 3.192 10.406 -14.816 1.00 0.00 C ATOM 576 CD ARG A 42 4.433 10.115 -15.645 1.00 0.00 C ATOM 577 NE ARG A 42 4.100 9.722 -17.013 1.00 0.00 N ATOM 578 CZ ARG A 42 3.877 8.466 -17.396 1.00 0.00 C ATOM 579 NH1 ARG A 42 3.938 7.474 -16.516 1.00 0.00 N ATOM 580 NH2 ARG A 42 3.587 8.203 -18.662 1.00 0.00 N ATOM 0 H ARG A 42 1.744 8.206 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 42 0.873 10.413 -13.781 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.141 8.529 -13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.263 8.544 -15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.513 11.040 -15.386 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.473 10.963 -13.922 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.069 11.000 -15.667 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.008 9.320 -15.170 1.00 0.00 H new ATOM 0 HE ARG A 42 4.034 10.456 -17.719 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.157 7.671 -15.539 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.766 6.515 -16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.535 8.962 -19.342 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.416 7.242 -18.957 1.00 0.00 H new ATOM 594 N ALA A 43 -1.082 9.092 -14.513 1.00 0.00 N ATOM 595 CA ALA A 43 -2.218 8.358 -15.058 1.00 0.00 C ATOM 596 C ALA A 43 -2.681 8.966 -16.381 1.00 0.00 C ATOM 597 O ALA A 43 -2.723 10.187 -16.529 1.00 0.00 O ATOM 598 CB ALA A 43 -3.362 8.337 -14.056 1.00 0.00 C ATOM 0 H ALA A 43 -1.247 10.090 -14.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.899 7.334 -15.250 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.203 7.786 -14.476 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.032 7.851 -13.137 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.671 9.359 -13.835 1.00 0.00 H new ATOM 604 N PRO A 44 -3.034 8.120 -17.366 1.00 0.00 N ATOM 605 CA PRO A 44 -3.493 8.585 -18.677 1.00 0.00 C ATOM 606 C PRO A 44 -4.928 9.100 -18.639 1.00 0.00 C ATOM 607 O PRO A 44 -5.804 8.583 -19.334 1.00 0.00 O ATOM 608 CB PRO A 44 -3.395 7.330 -19.543 1.00 0.00 C ATOM 609 CG PRO A 44 -3.607 6.204 -18.592 1.00 0.00 C ATOM 610 CD PRO A 44 -3.014 6.646 -17.280 1.00 0.00 C ATOM 0 HA PRO A 44 -2.903 9.424 -19.047 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.148 7.331 -20.331 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.423 7.260 -20.031 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.668 5.980 -18.484 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.124 5.295 -18.951 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.600 6.286 -16.434 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.001 6.266 -17.150 1.00 0.00 H new ATOM 618 N ASP A 45 -5.164 10.123 -17.824 1.00 0.00 N ATOM 619 CA ASP A 45 -6.494 10.707 -17.696 1.00 0.00 C ATOM 620 C ASP A 45 -6.447 12.217 -17.904 1.00 0.00 C ATOM 621 O ASP A 45 -7.269 12.779 -18.630 1.00 0.00 O ATOM 622 CB ASP A 45 -7.084 10.388 -16.321 1.00 0.00 C ATOM 623 CG ASP A 45 -7.648 8.983 -16.246 1.00 0.00 C ATOM 624 OD1 ASP A 45 -8.196 8.508 -17.263 1.00 0.00 O ATOM 625 OD2 ASP A 45 -7.544 8.358 -15.169 1.00 0.00 O ATOM 0 H ASP A 45 -4.452 10.565 -17.243 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.130 10.272 -18.466 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.312 10.508 -15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.872 11.106 -16.091 1.00 0.00 H new ATOM 630 N HIS A 46 -5.482 12.868 -17.264 1.00 0.00 N ATOM 631 CA HIS A 46 -5.329 14.313 -17.380 1.00 0.00 C ATOM 632 C HIS A 46 -3.858 14.712 -17.310 1.00 0.00 C ATOM 633 O HIS A 46 -3.311 15.274 -18.258 1.00 0.00 O ATOM 634 CB HIS A 46 -6.118 15.020 -16.275 1.00 0.00 C ATOM 635 CG HIS A 46 -7.011 16.111 -16.780 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.278 15.879 -17.273 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.814 17.448 -16.869 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.822 17.025 -17.642 1.00 0.00 C ATOM 639 NE2 HIS A 46 -7.954 17.992 -17.407 1.00 0.00 N ATOM 0 H HIS A 46 -4.794 12.418 -16.660 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.722 14.620 -18.349 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.722 14.284 -15.744 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.418 15.440 -15.552 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.926 17.986 -16.572 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.808 17.150 -18.064 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.106 18.983 -17.595 1.00 0.00 H new ATOM 648 N SER A 47 -3.225 14.419 -16.178 1.00 0.00 N ATOM 649 CA SER A 47 -1.817 14.748 -15.984 1.00 0.00 C ATOM 650 C SER A 47 -1.315 14.219 -14.645 1.00 0.00 C ATOM 651 O SER A 47 -2.000 13.444 -13.975 1.00 0.00 O ATOM 652 CB SER A 47 -1.611 16.262 -16.060 1.00 0.00 C ATOM 653 OG SER A 47 -0.504 16.586 -16.883 1.00 0.00 O ATOM 0 H SER A 47 -3.664 13.955 -15.383 1.00 0.00 H new ATOM 0 HA SER A 47 -1.244 14.271 -16.779 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.511 16.735 -16.453 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.452 16.661 -15.058 1.00 0.00 H new ATOM 0 HG SER A 47 -0.395 17.559 -16.916 1.00 0.00 H new ATOM 659 N LEU A 48 -0.115 14.641 -14.258 1.00 0.00 N ATOM 660 CA LEU A 48 0.478 14.209 -12.998 1.00 0.00 C ATOM 661 C LEU A 48 -0.275 14.804 -11.811 1.00 0.00 C ATOM 662 O LEU A 48 -0.532 16.006 -11.764 1.00 0.00 O ATOM 663 CB LEU A 48 1.953 14.614 -12.941 1.00 0.00 C ATOM 664 CG LEU A 48 2.946 13.478 -13.192 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.200 14.005 -13.871 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.298 12.780 -11.887 1.00 0.00 C ATOM 0 H LEU A 48 0.465 15.282 -14.799 1.00 0.00 H new ATOM 0 HA LEU A 48 0.405 13.123 -12.942 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.128 15.398 -13.678 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.158 15.046 -11.961 1.00 0.00 H new ATOM 0 HG LEU A 48 2.477 12.751 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.895 13.182 -14.041 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.934 14.459 -14.826 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.672 14.752 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.005 11.975 -12.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.747 13.497 -11.200 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.394 12.367 -11.440 1.00 0.00 H new ATOM 678 N ARG A 49 -0.623 13.952 -10.852 1.00 0.00 N ATOM 679 CA ARG A 49 -1.344 14.390 -9.664 1.00 0.00 C ATOM 680 C ARG A 49 -0.545 14.088 -8.400 1.00 0.00 C ATOM 681 O ARG A 49 0.413 13.317 -8.429 1.00 0.00 O ATOM 682 CB ARG A 49 -2.712 13.708 -9.591 1.00 0.00 C ATOM 683 CG ARG A 49 -3.535 13.861 -10.860 1.00 0.00 C ATOM 684 CD ARG A 49 -4.190 15.231 -10.941 1.00 0.00 C ATOM 685 NE ARG A 49 -3.692 16.011 -12.071 1.00 0.00 N ATOM 686 CZ ARG A 49 -4.324 17.066 -12.581 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.478 17.471 -12.063 1.00 0.00 N ATOM 688 NH2 ARG A 49 -3.802 17.718 -13.611 1.00 0.00 N ATOM 0 H ARG A 49 -0.417 12.953 -10.875 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.486 15.468 -9.734 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.570 12.647 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.271 14.123 -8.752 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.895 13.711 -11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.303 13.088 -10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.270 15.112 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.006 15.776 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.807 15.731 -12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.884 16.973 -11.271 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.958 18.280 -12.457 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.916 17.411 -14.013 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.286 18.526 -14.002 1.00 0.00 H new ATOM 702 N ARG A 50 -0.946 14.702 -7.291 1.00 0.00 N ATOM 703 CA ARG A 50 -0.267 14.499 -6.016 1.00 0.00 C ATOM 704 C ARG A 50 -1.205 13.864 -4.995 1.00 0.00 C ATOM 705 O ARG A 50 -2.356 14.276 -4.855 1.00 0.00 O ATOM 706 CB ARG A 50 0.265 15.829 -5.481 1.00 0.00 C ATOM 707 CG ARG A 50 1.281 16.491 -6.396 1.00 0.00 C ATOM 708 CD ARG A 50 2.703 16.106 -6.022 1.00 0.00 C ATOM 709 NE ARG A 50 3.361 17.143 -5.232 1.00 0.00 N ATOM 710 CZ ARG A 50 4.567 17.006 -4.685 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.249 15.878 -4.841 1.00 0.00 N ATOM 712 NH2 ARG A 50 5.093 17.999 -3.981 1.00 0.00 N ATOM 0 H ARG A 50 -1.738 15.344 -7.250 1.00 0.00 H new ATOM 0 HA ARG A 50 0.571 13.822 -6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.572 16.510 -5.328 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.722 15.662 -4.506 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.085 16.202 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.170 17.574 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.690 15.174 -5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.279 15.921 -6.929 1.00 0.00 H new ATOM 0 HE ARG A 50 2.867 18.024 -5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.849 15.111 -5.382 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.173 15.778 -4.420 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.574 18.868 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.017 17.894 -3.562 1.00 0.00 H new ATOM 726 N GLY A 51 -0.703 12.861 -4.283 1.00 0.00 N ATOM 727 CA GLY A 51 -1.508 12.186 -3.283 1.00 0.00 C ATOM 728 C GLY A 51 -0.667 11.541 -2.199 1.00 0.00 C ATOM 729 O GLY A 51 0.554 11.693 -2.182 1.00 0.00 O ATOM 0 H GLY A 51 0.247 12.504 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.193 12.902 -2.829 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.118 11.423 -3.767 1.00 0.00 H new ATOM 733 N THR A 52 -1.321 10.823 -1.293 1.00 0.00 N ATOM 734 CA THR A 52 -0.624 10.153 -0.200 1.00 0.00 C ATOM 735 C THR A 52 -0.950 8.664 -0.179 1.00 0.00 C ATOM 736 O THR A 52 -2.109 8.269 -0.306 1.00 0.00 O ATOM 737 CB THR A 52 -1.005 10.788 1.138 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.157 12.190 1.004 1.00 0.00 O ATOM 739 CG2 THR A 52 0.016 10.542 2.229 1.00 0.00 C ATOM 0 H THR A 52 -2.332 10.690 -1.293 1.00 0.00 H new ATOM 0 HA THR A 52 0.448 10.270 -0.359 1.00 0.00 H new ATOM 0 HB THR A 52 -1.944 10.314 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.109 12.410 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.315 11.019 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.122 9.470 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.977 10.960 1.929 1.00 0.00 H new ATOM 747 N VAL A 53 0.081 7.840 -0.020 1.00 0.00 N ATOM 748 CA VAL A 53 -0.095 6.393 0.018 1.00 0.00 C ATOM 749 C VAL A 53 -0.983 5.979 1.186 1.00 0.00 C ATOM 750 O VAL A 53 -0.751 6.379 2.327 1.00 0.00 O ATOM 751 CB VAL A 53 1.257 5.664 0.130 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.070 4.164 -0.032 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.240 6.202 -0.898 1.00 0.00 C ATOM 0 H VAL A 53 1.047 8.150 0.085 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.574 6.108 -0.918 1.00 0.00 H new ATOM 0 HB VAL A 53 1.668 5.849 1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.036 3.666 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.404 3.794 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.636 3.955 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.190 5.675 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.838 6.050 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.398 7.267 -0.728 1.00 0.00 H new ATOM 763 N MET A 54 -2.000 5.176 0.894 1.00 0.00 N ATOM 764 CA MET A 54 -2.924 4.706 1.920 1.00 0.00 C ATOM 765 C MET A 54 -2.824 3.194 2.092 1.00 0.00 C ATOM 766 O MET A 54 -2.858 2.684 3.213 1.00 0.00 O ATOM 767 CB MET A 54 -4.358 5.099 1.561 1.00 0.00 C ATOM 768 CG MET A 54 -4.559 6.597 1.409 1.00 0.00 C ATOM 769 SD MET A 54 -6.242 7.027 0.928 1.00 0.00 S ATOM 770 CE MET A 54 -6.293 6.378 -0.741 1.00 0.00 C ATOM 0 H MET A 54 -2.206 4.837 -0.046 1.00 0.00 H new ATOM 0 HA MET A 54 -2.651 5.178 2.864 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.638 4.607 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.032 4.727 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.318 7.089 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.863 6.979 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.242 6.645 -1.206 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.473 6.801 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.195 5.293 -0.713 1.00 0.00 H new ATOM 780 N TYR A 55 -2.700 2.482 0.977 1.00 0.00 N ATOM 781 CA TYR A 55 -2.595 1.029 1.006 1.00 0.00 C ATOM 782 C TYR A 55 -1.612 0.533 -0.050 1.00 0.00 C ATOM 783 O TYR A 55 -1.572 1.050 -1.166 1.00 0.00 O ATOM 784 CB TYR A 55 -3.967 0.391 0.781 1.00 0.00 C ATOM 785 CG TYR A 55 -4.023 -1.073 1.157 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.507 -2.047 0.312 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.593 -1.479 2.358 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.557 -3.385 0.653 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.645 -2.816 2.704 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.127 -3.765 1.849 1.00 0.00 C ATOM 791 OH TYR A 55 -4.178 -5.097 2.192 1.00 0.00 O ATOM 0 H TYR A 55 -2.670 2.888 0.042 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.224 0.737 1.988 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.711 0.935 1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.241 0.499 -0.269 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.060 -1.754 -0.626 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.001 -0.739 3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.151 -4.130 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.090 -3.116 3.641 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.610 -5.193 3.066 1.00 0.00 H new ATOM 801 N VAL A 56 -0.820 -0.471 0.310 1.00 0.00 N ATOM 802 CA VAL A 56 0.164 -1.036 -0.605 1.00 0.00 C ATOM 803 C VAL A 56 0.202 -2.558 -0.500 1.00 0.00 C ATOM 804 O VAL A 56 0.678 -3.109 0.491 1.00 0.00 O ATOM 805 CB VAL A 56 1.573 -0.479 -0.330 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.544 -0.924 -1.413 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.536 1.037 -0.227 1.00 0.00 C ATOM 0 H VAL A 56 -0.841 -0.911 1.230 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.141 -0.751 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 56 1.922 -0.876 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.534 -0.521 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.592 -2.013 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.202 -0.558 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.540 1.413 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.166 1.456 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.875 1.330 0.588 1.00 0.00 H new ATOM 817 N GLY A 57 -0.302 -3.230 -1.530 1.00 0.00 N ATOM 818 CA GLY A 57 -0.315 -4.680 -1.534 1.00 0.00 C ATOM 819 C GLY A 57 -0.933 -5.252 -2.794 1.00 0.00 C ATOM 820 O GLY A 57 -0.722 -4.731 -3.888 1.00 0.00 O ATOM 0 H GLY A 57 -0.702 -2.796 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.706 -5.049 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.870 -5.037 -0.667 1.00 0.00 H new ATOM 824 N LEU A 58 -1.701 -6.326 -2.639 1.00 0.00 N ATOM 825 CA LEU A 58 -2.353 -6.969 -3.774 1.00 0.00 C ATOM 826 C LEU A 58 -3.868 -6.809 -3.692 1.00 0.00 C ATOM 827 O LEU A 58 -4.417 -6.541 -2.624 1.00 0.00 O ATOM 828 CB LEU A 58 -1.988 -8.454 -3.824 1.00 0.00 C ATOM 829 CG LEU A 58 -0.490 -8.754 -3.733 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.234 -9.938 -2.814 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.086 -9.018 -5.117 1.00 0.00 C ATOM 0 H LEU A 58 -1.887 -6.769 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.003 -6.485 -4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.496 -8.966 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.372 -8.876 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 58 0.009 -7.881 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.837 -10.134 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.609 -9.712 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.746 -10.818 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.152 -9.229 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.420 -9.874 -5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.061 -8.140 -5.746 1.00 0.00 H new ATOM 843 N THR A 59 -4.538 -6.975 -4.828 1.00 0.00 N ATOM 844 CA THR A 59 -5.990 -6.849 -4.884 1.00 0.00 C ATOM 845 C THR A 59 -6.619 -8.086 -5.518 1.00 0.00 C ATOM 846 O THR A 59 -5.920 -9.021 -5.905 1.00 0.00 O ATOM 847 CB THR A 59 -6.384 -5.601 -5.675 1.00 0.00 C ATOM 848 OG1 THR A 59 -6.102 -5.769 -7.052 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.673 -4.348 -5.209 1.00 0.00 C ATOM 0 H THR A 59 -4.099 -7.197 -5.722 1.00 0.00 H new ATOM 0 HA THR A 59 -6.362 -6.757 -3.863 1.00 0.00 H new ATOM 0 HB THR A 59 -7.453 -5.477 -5.504 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.457 -6.497 -7.167 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.998 -3.500 -5.812 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.912 -4.162 -4.162 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.596 -4.479 -5.317 1.00 0.00 H new ATOM 857 N ASP A 60 -7.944 -8.083 -5.617 1.00 0.00 N ATOM 858 CA ASP A 60 -8.668 -9.207 -6.202 1.00 0.00 C ATOM 859 C ASP A 60 -9.249 -8.832 -7.563 1.00 0.00 C ATOM 860 O ASP A 60 -9.410 -9.687 -8.435 1.00 0.00 O ATOM 861 CB ASP A 60 -9.786 -9.663 -5.260 1.00 0.00 C ATOM 862 CG ASP A 60 -9.558 -11.066 -4.731 1.00 0.00 C ATOM 863 OD1 ASP A 60 -9.706 -12.028 -5.515 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.234 -11.203 -3.533 1.00 0.00 O ATOM 0 H ASP A 60 -8.538 -7.317 -5.301 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.965 -10.028 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.858 -8.969 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.739 -9.627 -5.787 1.00 0.00 H new ATOM 869 N PHE A 61 -9.563 -7.553 -7.738 1.00 0.00 N ATOM 870 CA PHE A 61 -10.126 -7.070 -8.993 1.00 0.00 C ATOM 871 C PHE A 61 -9.047 -6.946 -10.065 1.00 0.00 C ATOM 872 O PHE A 61 -9.321 -7.096 -11.255 1.00 0.00 O ATOM 873 CB PHE A 61 -10.813 -5.718 -8.784 1.00 0.00 C ATOM 874 CG PHE A 61 -9.955 -4.711 -8.074 1.00 0.00 C ATOM 875 CD1 PHE A 61 -9.040 -3.944 -8.777 1.00 0.00 C ATOM 876 CD2 PHE A 61 -10.063 -4.531 -6.705 1.00 0.00 C ATOM 877 CE1 PHE A 61 -8.249 -3.015 -8.127 1.00 0.00 C ATOM 878 CE2 PHE A 61 -9.276 -3.605 -6.049 1.00 0.00 C ATOM 879 CZ PHE A 61 -8.367 -2.846 -6.761 1.00 0.00 C ATOM 0 H PHE A 61 -9.437 -6.833 -7.027 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.865 -7.796 -9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.105 -5.315 -9.754 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.729 -5.870 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.944 -4.073 -9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.771 -5.122 -6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.540 -2.422 -8.686 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.371 -3.474 -4.981 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.750 -2.122 -6.250 1.00 0.00 H new ATOM 889 N LYS A 62 -7.819 -6.671 -9.635 1.00 0.00 N ATOM 890 CA LYS A 62 -6.701 -6.528 -10.561 1.00 0.00 C ATOM 891 C LYS A 62 -5.460 -7.244 -10.033 1.00 0.00 C ATOM 892 O LYS A 62 -5.198 -7.242 -8.830 1.00 0.00 O ATOM 893 CB LYS A 62 -6.391 -5.048 -10.794 1.00 0.00 C ATOM 894 CG LYS A 62 -7.364 -4.364 -11.741 1.00 0.00 C ATOM 895 CD LYS A 62 -6.851 -4.375 -13.171 1.00 0.00 C ATOM 896 CE LYS A 62 -7.703 -3.499 -14.075 1.00 0.00 C ATOM 897 NZ LYS A 62 -8.891 -4.228 -14.598 1.00 0.00 N ATOM 0 H LYS A 62 -7.574 -6.543 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.986 -6.986 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.403 -4.528 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.381 -4.956 -11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.330 -4.866 -11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.524 -3.335 -11.419 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.819 -4.025 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.849 -5.397 -13.550 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.032 -2.619 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.099 -3.144 -14.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.445 -3.595 -15.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -8.578 -5.054 -15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.481 -4.545 -13.803 1.00 0.00 H new ATOM 911 N PRO A 63 -4.675 -7.869 -10.928 1.00 0.00 N ATOM 912 CA PRO A 63 -3.459 -8.589 -10.545 1.00 0.00 C ATOM 913 C PRO A 63 -2.292 -7.650 -10.263 1.00 0.00 C ATOM 914 O PRO A 63 -2.362 -6.454 -10.546 1.00 0.00 O ATOM 915 CB PRO A 63 -3.168 -9.450 -11.772 1.00 0.00 C ATOM 916 CG PRO A 63 -3.713 -8.667 -12.916 1.00 0.00 C ATOM 917 CD PRO A 63 -4.912 -7.924 -12.385 1.00 0.00 C ATOM 0 HA PRO A 63 -3.590 -9.158 -9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.099 -9.628 -11.887 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.648 -10.426 -11.695 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.966 -7.974 -13.304 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.995 -9.325 -13.738 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.987 -6.926 -12.816 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.841 -8.444 -12.620 1.00 0.00 H new ATOM 925 N GLY A 64 -1.217 -8.200 -9.707 1.00 0.00 N ATOM 926 CA GLY A 64 -0.048 -7.398 -9.397 1.00 0.00 C ATOM 927 C GLY A 64 -0.261 -6.497 -8.197 1.00 0.00 C ATOM 928 O GLY A 64 -1.386 -6.341 -7.720 1.00 0.00 O ATOM 0 H GLY A 64 -1.135 -9.188 -9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.800 -8.056 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.210 -6.789 -10.263 1.00 0.00 H new ATOM 932 N TYR A 65 0.822 -5.903 -7.706 1.00 0.00 N ATOM 933 CA TYR A 65 0.750 -5.011 -6.554 1.00 0.00 C ATOM 934 C TYR A 65 0.069 -3.698 -6.924 1.00 0.00 C ATOM 935 O TYR A 65 0.323 -3.134 -7.989 1.00 0.00 O ATOM 936 CB TYR A 65 2.152 -4.735 -6.009 1.00 0.00 C ATOM 937 CG TYR A 65 2.736 -5.886 -5.220 1.00 0.00 C ATOM 938 CD1 TYR A 65 1.983 -6.550 -4.260 1.00 0.00 C ATOM 939 CD2 TYR A 65 4.043 -6.307 -5.435 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.514 -7.602 -3.537 1.00 0.00 C ATOM 941 CE2 TYR A 65 4.581 -7.358 -4.716 1.00 0.00 C ATOM 942 CZ TYR A 65 3.813 -8.001 -3.769 1.00 0.00 C ATOM 943 OH TYR A 65 4.346 -9.048 -3.052 1.00 0.00 O ATOM 0 H TYR A 65 1.760 -6.023 -8.088 1.00 0.00 H new ATOM 0 HA TYR A 65 0.157 -5.502 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.816 -4.503 -6.841 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.117 -3.851 -5.373 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.965 -6.239 -4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 65 4.648 -5.805 -6.176 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.915 -8.108 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.598 -7.674 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 65 5.271 -9.203 -3.338 1.00 0.00 H new ATOM 953 N TRP A 66 -0.796 -3.214 -6.038 1.00 0.00 N ATOM 954 CA TRP A 66 -1.512 -1.967 -6.271 1.00 0.00 C ATOM 955 C TRP A 66 -1.336 -1.010 -5.095 1.00 0.00 C ATOM 956 O TRP A 66 -1.177 -1.439 -3.952 1.00 0.00 O ATOM 957 CB TRP A 66 -3.001 -2.242 -6.499 1.00 0.00 C ATOM 958 CG TRP A 66 -3.299 -2.810 -7.853 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.381 -4.131 -8.188 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.555 -2.074 -9.054 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.672 -4.262 -9.523 1.00 0.00 N ATOM 962 CE2 TRP A 66 -3.785 -3.014 -10.078 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.614 -0.713 -9.365 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.067 -2.634 -11.388 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -3.896 -0.337 -10.666 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.119 -1.295 -11.663 1.00 0.00 C ATOM 0 H TRP A 66 -1.017 -3.668 -5.152 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.095 -1.500 -7.163 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.356 -2.935 -5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.558 -1.314 -6.371 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.238 -4.953 -7.502 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.786 -5.145 -10.021 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.442 0.033 -8.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.239 -3.370 -12.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -3.945 0.712 -10.917 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -4.336 -0.970 -12.670 1.00 0.00 H new ATOM 977 N VAL A 67 -1.363 0.287 -5.385 1.00 0.00 N ATOM 978 CA VAL A 67 -1.206 1.303 -4.351 1.00 0.00 C ATOM 979 C VAL A 67 -2.366 2.294 -4.375 1.00 0.00 C ATOM 980 O VAL A 67 -2.700 2.847 -5.423 1.00 0.00 O ATOM 981 CB VAL A 67 0.117 2.075 -4.518 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.337 3.022 -3.346 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.286 1.110 -4.657 1.00 0.00 C ATOM 0 H VAL A 67 -1.492 0.659 -6.326 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.195 0.782 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 67 0.055 2.669 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.276 3.558 -3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.485 3.737 -3.296 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.377 2.450 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.211 1.674 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.351 0.487 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.134 0.477 -5.532 1.00 0.00 H new ATOM 993 N GLY A 68 -2.973 2.515 -3.214 1.00 0.00 N ATOM 994 CA GLY A 68 -4.088 3.440 -3.125 1.00 0.00 C ATOM 995 C GLY A 68 -3.641 4.857 -2.821 1.00 0.00 C ATOM 996 O GLY A 68 -3.168 5.143 -1.722 1.00 0.00 O ATOM 0 H GLY A 68 -2.713 2.071 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.641 3.430 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.774 3.104 -2.348 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.790 5.744 -3.799 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.398 7.139 -3.632 1.00 0.00 C ATOM 1002 C VAL A 69 -4.609 8.063 -3.695 1.00 0.00 C ATOM 1003 O VAL A 69 -5.379 8.028 -4.655 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.383 7.570 -4.707 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.836 8.955 -4.401 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.254 6.555 -4.813 1.00 0.00 C ATOM 0 H VAL A 69 -4.179 5.522 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.933 7.220 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.896 7.611 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.121 9.242 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.655 9.674 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.339 8.944 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.547 6.876 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.742 6.479 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.664 5.582 -5.084 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.771 8.888 -2.667 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.889 9.822 -2.605 1.00 0.00 C ATOM 1018 C ARG A 70 -5.435 11.236 -2.958 1.00 0.00 C ATOM 1019 O ARG A 70 -4.340 11.658 -2.588 1.00 0.00 O ATOM 1020 CB ARG A 70 -6.515 9.809 -1.210 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.710 10.740 -1.071 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.621 11.579 0.195 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.409 12.394 0.226 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.149 13.301 1.164 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.014 13.513 2.149 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.023 14.000 1.118 1.00 0.00 N ATOM 0 H ARG A 70 -4.142 8.929 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.636 9.506 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.827 8.792 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.758 10.091 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.764 11.396 -1.940 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.629 10.154 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.495 12.226 0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.640 10.924 1.066 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.721 12.260 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.882 12.979 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.810 14.209 2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.355 13.843 0.363 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.825 14.695 1.838 1.00 0.00 H new ATOM 1040 N TYR A 71 -6.285 11.962 -3.677 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.973 13.327 -4.081 1.00 0.00 C ATOM 1042 C TYR A 71 -6.748 14.335 -3.239 1.00 0.00 C ATOM 1043 O TYR A 71 -7.822 14.029 -2.720 1.00 0.00 O ATOM 1044 CB TYR A 71 -6.293 13.529 -5.563 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.743 12.439 -6.456 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -4.379 12.343 -6.706 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.586 11.509 -7.049 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.872 11.350 -7.522 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -6.087 10.512 -7.865 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.730 10.437 -8.099 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.228 9.446 -8.912 1.00 0.00 O ATOM 0 H TYR A 71 -7.196 11.627 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.907 13.491 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.375 13.579 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.890 14.489 -5.885 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.705 13.056 -6.255 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.649 11.566 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.810 11.289 -7.707 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.756 9.795 -8.317 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.963 8.886 -9.237 1.00 0.00 H new ATOM 1061 N ASP A 72 -6.198 15.539 -3.108 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.840 16.591 -2.329 1.00 0.00 C ATOM 1063 C ASP A 72 -8.159 17.014 -2.969 1.00 0.00 C ATOM 1064 O ASP A 72 -9.159 17.213 -2.280 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.907 17.799 -2.200 1.00 0.00 C ATOM 1066 CG ASP A 72 -5.381 17.974 -0.789 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.057 16.953 -0.145 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -5.293 19.131 -0.327 1.00 0.00 O ATOM 0 H ASP A 72 -5.310 15.809 -3.531 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.052 16.197 -1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.068 17.682 -2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.441 18.701 -2.501 1.00 0.00 H new ATOM 1073 N GLU A 73 -8.153 17.149 -4.291 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.349 17.547 -5.024 1.00 0.00 C ATOM 1075 C GLU A 73 -9.902 16.380 -5.839 1.00 0.00 C ATOM 1076 O GLU A 73 -9.196 15.405 -6.099 1.00 0.00 O ATOM 1077 CB GLU A 73 -9.037 18.725 -5.948 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.024 20.069 -5.238 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.271 21.130 -6.014 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -8.169 21.001 -7.253 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -7.781 22.092 -5.385 1.00 0.00 O ATOM 0 H GLU A 73 -7.333 16.989 -4.876 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.104 17.851 -4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.066 18.561 -6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.776 18.754 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.050 20.401 -5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.569 19.952 -4.254 1.00 0.00 H new ATOM 1088 N PRO A 74 -11.178 16.465 -6.254 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.824 15.411 -7.044 1.00 0.00 C ATOM 1090 C PRO A 74 -11.035 15.063 -8.302 1.00 0.00 C ATOM 1091 O PRO A 74 -11.276 15.624 -9.372 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.180 16.020 -7.414 1.00 0.00 C ATOM 1093 CG PRO A 74 -13.436 17.044 -6.364 1.00 0.00 C ATOM 1094 CD PRO A 74 -12.088 17.593 -5.987 1.00 0.00 C ATOM 0 HA PRO A 74 -11.900 14.476 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.154 16.469 -8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.964 15.262 -7.427 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.088 17.833 -6.738 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.933 16.602 -5.501 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.829 18.469 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.056 17.898 -4.941 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.094 14.136 -8.167 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.270 13.712 -9.293 1.00 0.00 C ATOM 1104 C LEU A 75 -9.042 12.205 -9.262 1.00 0.00 C ATOM 1105 O LEU A 75 -7.990 11.717 -9.675 1.00 0.00 O ATOM 1106 CB LEU A 75 -7.925 14.442 -9.271 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.013 15.963 -9.126 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.728 16.517 -8.535 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.307 16.609 -10.472 1.00 0.00 C ATOM 0 H LEU A 75 -9.882 13.663 -7.288 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.798 13.964 -10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.329 14.048 -8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.389 14.211 -10.191 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.831 16.199 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.809 17.600 -8.439 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.560 16.077 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.891 16.272 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.366 17.691 -10.351 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.510 16.366 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.256 16.234 -10.856 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.035 11.471 -8.769 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.923 10.027 -8.693 1.00 0.00 C ATOM 1123 C GLY A 76 -11.016 9.318 -9.469 1.00 0.00 C ATOM 1124 O GLY A 76 -11.820 9.958 -10.146 1.00 0.00 O ATOM 0 H GLY A 76 -10.915 11.851 -8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.951 9.720 -9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.964 9.717 -7.649 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.045 7.992 -9.370 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.046 7.195 -10.067 1.00 0.00 C ATOM 1130 C LYS A 77 -12.892 6.400 -9.080 1.00 0.00 C ATOM 1131 O LYS A 77 -14.122 6.474 -9.099 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.371 6.245 -11.059 1.00 0.00 C ATOM 1133 CG LYS A 77 -10.745 6.953 -12.250 1.00 0.00 C ATOM 1134 CD LYS A 77 -11.060 6.237 -13.555 1.00 0.00 C ATOM 1135 CE LYS A 77 -12.181 6.930 -14.313 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.261 6.471 -15.728 1.00 0.00 N ATOM 0 H LYS A 77 -10.386 7.448 -8.813 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.700 7.875 -10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.600 5.677 -10.538 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.107 5.527 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.112 7.978 -12.299 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.665 7.007 -12.115 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -10.166 6.202 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.344 5.205 -13.346 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.131 6.736 -13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.023 8.008 -14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.037 6.967 -16.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.364 6.679 -16.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.437 5.446 -15.751 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.228 5.639 -8.217 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.921 4.829 -7.221 1.00 0.00 C ATOM 1152 C ASN A 78 -13.060 5.588 -5.905 1.00 0.00 C ATOM 1153 O ASN A 78 -12.568 6.708 -5.768 1.00 0.00 O ATOM 1154 CB ASN A 78 -12.170 3.517 -6.987 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.223 2.599 -8.193 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -12.956 1.611 -8.203 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.443 2.922 -9.218 1.00 0.00 N ATOM 0 H ASN A 78 -11.211 5.566 -8.187 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.918 4.607 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.130 3.735 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.598 3.005 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.436 2.341 -10.057 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.851 3.751 -9.167 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.735 4.971 -4.941 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.939 5.588 -3.636 1.00 0.00 C ATOM 1166 C ASP A 79 -13.020 4.966 -2.590 1.00 0.00 C ATOM 1167 O ASP A 79 -12.504 5.659 -1.713 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.399 5.440 -3.202 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.836 3.991 -3.132 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.470 3.306 -2.154 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.546 3.540 -4.055 1.00 0.00 O ATOM 0 H ASP A 79 -14.150 4.044 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.697 6.648 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.534 5.905 -2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.040 5.977 -3.902 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.820 3.657 -2.689 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.962 2.964 -1.745 1.00 0.00 C ATOM 1178 C GLY A 80 -12.186 1.465 -1.749 1.00 0.00 C ATOM 1179 O GLY A 80 -11.249 0.691 -1.946 1.00 0.00 O ATOM 0 H GLY A 80 -13.236 3.063 -3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.920 3.173 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.142 3.352 -0.743 1.00 0.00 H new ATOM 1183 N SER A 81 -13.431 1.054 -1.533 1.00 0.00 N ATOM 1184 CA SER A 81 -13.776 -0.363 -1.512 1.00 0.00 C ATOM 1185 C SER A 81 -14.115 -0.861 -2.914 1.00 0.00 C ATOM 1186 O SER A 81 -14.762 -0.161 -3.691 1.00 0.00 O ATOM 1187 CB SER A 81 -14.956 -0.609 -0.571 1.00 0.00 C ATOM 1188 OG SER A 81 -16.085 0.156 -0.958 1.00 0.00 O ATOM 0 H SER A 81 -14.218 1.682 -1.370 1.00 0.00 H new ATOM 0 HA SER A 81 -12.910 -0.917 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.212 -1.668 -0.573 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.671 -0.352 0.449 1.00 0.00 H new ATOM 0 HG SER A 81 -16.826 -0.020 -0.342 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.675 -2.076 -3.228 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.934 -2.666 -4.535 1.00 0.00 C ATOM 1196 C VAL A 82 -14.170 -4.169 -4.423 1.00 0.00 C ATOM 1197 O VAL A 82 -13.324 -4.904 -3.912 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.766 -2.415 -5.507 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -13.139 -2.853 -6.915 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.361 -0.948 -5.487 1.00 0.00 C ATOM 0 H VAL A 82 -13.138 -2.670 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.832 -2.186 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.912 -3.009 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.301 -2.668 -7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.376 -3.917 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -14.008 -2.288 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.534 -0.789 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.209 -0.332 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -12.049 -0.670 -4.480 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.324 -4.618 -4.904 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.673 -6.034 -4.860 1.00 0.00 C ATOM 1212 C ASN A 83 -15.705 -6.544 -3.423 1.00 0.00 C ATOM 1213 O ASN A 83 -15.484 -7.729 -3.169 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.676 -6.852 -5.682 1.00 0.00 C ATOM 1215 CG ASN A 83 -15.088 -6.971 -7.135 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.589 -5.878 -7.700 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.958 -8.032 -7.745 1.00 0.00 N flip ATOM 0 H ASN A 83 -16.034 -4.022 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.669 -6.150 -5.289 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.692 -6.387 -5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.584 -7.849 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.568 -8.848 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.240 -8.096 -8.723 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.981 -5.643 -2.487 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.039 -6.021 -1.087 1.00 0.00 C ATOM 1226 C GLY A 84 -14.725 -5.786 -0.365 1.00 0.00 C ATOM 1227 O GLY A 84 -14.710 -5.517 0.836 1.00 0.00 O ATOM 0 H GLY A 84 -16.166 -4.657 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -16.827 -5.453 -0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.309 -7.074 -1.010 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.621 -5.891 -1.097 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.298 -5.689 -0.517 1.00 0.00 C ATOM 1233 C LYS A 85 -11.993 -4.202 -0.359 1.00 0.00 C ATOM 1234 O LYS A 85 -11.849 -3.479 -1.344 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.229 -6.353 -1.389 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.241 -7.200 -0.603 1.00 0.00 C ATOM 1237 CD LYS A 85 -8.949 -6.446 -0.336 1.00 0.00 C ATOM 1238 CE LYS A 85 -7.794 -7.398 -0.069 1.00 0.00 C ATOM 1239 NZ LYS A 85 -6.927 -7.568 -1.268 1.00 0.00 N ATOM 0 H LYS A 85 -13.616 -6.115 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.288 -6.149 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.718 -6.979 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.682 -5.581 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.690 -7.500 0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -10.023 -8.113 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.711 -5.815 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.082 -5.785 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.196 -7.020 0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.186 -8.368 0.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.532 -8.530 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.491 -7.417 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.152 -6.876 -1.237 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.896 -3.753 0.888 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.609 -2.354 1.177 1.00 0.00 C ATOM 1255 C ARG A 86 -10.135 -2.162 1.521 1.00 0.00 C ATOM 1256 O ARG A 86 -9.519 -3.019 2.153 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.482 -1.859 2.332 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.612 -0.345 2.390 1.00 0.00 C ATOM 1259 CD ARG A 86 -11.782 0.245 3.519 1.00 0.00 C ATOM 1260 NE ARG A 86 -12.351 -0.056 4.831 1.00 0.00 N ATOM 1261 CZ ARG A 86 -11.671 0.031 5.972 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -10.397 0.408 5.966 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -12.263 -0.261 7.121 1.00 0.00 N ATOM 0 H ARG A 86 -12.012 -4.339 1.715 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.836 -1.771 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.476 -2.298 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.062 -2.216 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.293 0.085 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.659 -0.074 2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.766 -0.147 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.714 1.325 3.393 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.327 -0.350 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.936 0.632 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.880 0.473 6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.240 -0.553 7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -11.741 -0.194 7.995 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.576 -1.033 1.100 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.174 -0.728 1.362 1.00 0.00 C ATOM 1279 C TYR A 87 -8.038 0.551 2.181 1.00 0.00 C ATOM 1280 O TYR A 87 -7.280 0.602 3.150 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.406 -0.590 0.046 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.634 -1.737 -0.912 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.789 -1.804 -1.682 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.696 -2.752 -1.047 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.002 -2.851 -2.559 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.901 -3.802 -1.922 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.055 -3.846 -2.675 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.263 -4.891 -3.547 1.00 0.00 O ATOM 0 H TYR A 87 -10.073 -0.313 0.575 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.751 -1.552 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.698 0.341 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.340 -0.515 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.532 -1.025 -1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.791 -2.720 -0.458 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -9.905 -2.889 -3.150 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.161 -4.584 -2.015 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.999 -4.669 -4.154 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.775 1.583 1.785 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.736 2.863 2.482 1.00 0.00 C ATOM 1300 C PHE A 88 -10.131 3.471 2.583 1.00 0.00 C ATOM 1301 O PHE A 88 -11.063 3.028 1.909 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.795 3.830 1.764 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.219 4.148 0.357 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.180 5.115 0.112 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.655 3.480 -0.718 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.573 5.409 -1.180 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.044 3.770 -2.012 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.003 4.736 -2.243 1.00 0.00 C ATOM 0 H PHE A 88 -9.407 1.558 0.985 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.363 2.687 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.735 4.757 2.335 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.793 3.402 1.745 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.627 5.645 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.903 2.725 -0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.325 6.164 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.598 3.242 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.307 4.965 -3.254 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.268 4.489 3.426 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.549 5.159 3.616 1.00 0.00 C ATOM 1320 C GLU A 89 -11.522 6.561 3.016 1.00 0.00 C ATOM 1321 O GLU A 89 -10.699 7.394 3.395 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.895 5.235 5.104 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.748 3.908 5.830 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.197 4.068 7.233 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -11.874 4.703 8.068 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.086 3.559 7.496 1.00 0.00 O ATOM 0 H GLU A 89 -9.507 4.868 3.989 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.315 4.577 3.103 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.251 5.974 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.921 5.588 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.719 3.416 5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.089 3.256 5.257 1.00 0.00 H new ATOM 1333 N CYS A 90 -12.429 6.816 2.078 1.00 0.00 N ATOM 1334 CA CYS A 90 -12.510 8.117 1.426 1.00 0.00 C ATOM 1335 C CYS A 90 -13.746 8.204 0.537 1.00 0.00 C ATOM 1336 O CYS A 90 -14.449 7.214 0.334 1.00 0.00 O ATOM 1337 CB CYS A 90 -11.248 8.375 0.598 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.488 9.989 0.895 1.00 0.00 S ATOM 0 H CYS A 90 -13.118 6.138 1.753 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.589 8.880 2.200 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.518 7.596 0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -11.497 8.292 -0.460 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.052 10.045 2.119 1.00 0.00 H new ATOM 1344 N GLN A 91 -14.006 9.397 0.009 1.00 0.00 N ATOM 1345 CA GLN A 91 -15.158 9.614 -0.858 1.00 0.00 C ATOM 1346 C GLN A 91 -14.863 9.150 -2.282 1.00 0.00 C ATOM 1347 O GLN A 91 -13.808 8.576 -2.553 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.549 11.093 -0.860 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.720 11.413 0.055 1.00 0.00 C ATOM 1350 CD GLN A 91 -18.054 11.355 -0.662 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -18.141 10.893 -1.799 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -19.103 11.828 0.000 1.00 0.00 N ATOM 0 H GLN A 91 -13.434 10.227 0.167 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.990 9.026 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.688 11.688 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.801 11.392 -1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.728 10.709 0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.583 12.408 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -18.985 12.202 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -20.026 11.817 -0.433 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.802 9.404 -3.188 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.644 9.013 -4.584 1.00 0.00 C ATOM 1363 C ALA A 92 -14.862 10.066 -5.363 1.00 0.00 C ATOM 1364 O ALA A 92 -14.825 11.235 -4.979 1.00 0.00 O ATOM 1365 CB ALA A 92 -17.004 8.780 -5.224 1.00 0.00 C ATOM 0 H ALA A 92 -16.680 9.879 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 92 -15.078 8.082 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.871 8.489 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.527 7.987 -4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.591 9.697 -5.176 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.240 9.643 -6.459 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.459 10.550 -7.292 1.00 0.00 C ATOM 1373 C LYS A 93 -12.328 11.188 -6.492 1.00 0.00 C ATOM 1374 O LYS A 93 -11.902 12.306 -6.785 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.359 11.638 -7.879 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.472 11.096 -8.763 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.755 11.895 -8.596 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.671 11.266 -7.559 1.00 0.00 C ATOM 1379 NZ LYS A 93 -19.100 11.607 -7.800 1.00 0.00 N ATOM 0 H LYS A 93 -14.262 8.679 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.022 9.970 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -14.800 12.212 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -13.748 12.329 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.157 11.126 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -15.658 10.051 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.513 12.915 -8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.274 11.956 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.549 10.183 -7.576 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.380 11.604 -6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.691 11.159 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -19.222 12.639 -7.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.386 11.262 -8.738 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.844 10.473 -5.482 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.762 10.971 -4.642 1.00 0.00 C ATOM 1395 C TYR A 94 -9.643 9.941 -4.527 1.00 0.00 C ATOM 1396 O TYR A 94 -8.493 10.218 -4.867 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.291 11.324 -3.250 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.929 12.693 -3.172 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.224 13.830 -3.546 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.234 12.848 -2.723 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.803 15.083 -3.475 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.821 14.097 -2.650 1.00 0.00 C ATOM 1403 CZ TYR A 94 -13.101 15.211 -3.027 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.681 16.457 -2.956 1.00 0.00 O ATOM 0 H TYR A 94 -12.184 9.546 -5.226 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.357 11.869 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -12.022 10.574 -2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.470 11.274 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.207 13.733 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.800 11.977 -2.426 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.242 15.958 -3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.837 14.200 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.598 16.372 -2.622 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.988 8.752 -4.045 1.00 0.00 N ATOM 1415 CA GLY A 95 -9.002 7.698 -3.893 1.00 0.00 C ATOM 1416 C GLY A 95 -8.904 6.813 -5.120 1.00 0.00 C ATOM 1417 O GLY A 95 -9.856 6.114 -5.467 1.00 0.00 O ATOM 0 H GLY A 95 -10.933 8.499 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.028 8.143 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.259 7.087 -3.028 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.750 6.844 -5.778 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.531 6.039 -6.974 1.00 0.00 C ATOM 1423 C ALA A 96 -6.638 4.840 -6.671 1.00 0.00 C ATOM 1424 O ALA A 96 -6.121 4.703 -5.563 1.00 0.00 O ATOM 1425 CB ALA A 96 -6.918 6.889 -8.077 1.00 0.00 C ATOM 0 H ALA A 96 -6.952 7.418 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.497 5.665 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.760 6.275 -8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.591 7.711 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.963 7.291 -7.739 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.464 3.974 -7.664 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.633 2.786 -7.504 1.00 0.00 C ATOM 1433 C PHE A 97 -4.615 2.676 -8.634 1.00 0.00 C ATOM 1434 O PHE A 97 -4.963 2.336 -9.764 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.506 1.529 -7.463 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.143 1.285 -6.125 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.370 1.233 -4.976 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.513 1.108 -6.016 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.952 1.008 -3.743 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.100 0.883 -4.785 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.319 0.833 -3.647 1.00 0.00 C ATOM 0 H PHE A 97 -6.887 4.072 -8.587 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.093 2.876 -6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.287 1.614 -8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.898 0.665 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.301 1.370 -5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.129 1.146 -6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.339 0.969 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.169 0.746 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.776 0.657 -2.684 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.357 2.967 -8.321 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.288 2.902 -9.309 1.00 0.00 C ATOM 1453 C VAL A 98 -1.239 1.866 -8.917 1.00 0.00 C ATOM 1454 O VAL A 98 -1.355 1.214 -7.880 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.601 4.270 -9.486 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.489 5.215 -10.279 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.248 4.869 -8.132 1.00 0.00 C ATOM 0 H VAL A 98 -3.053 3.250 -7.390 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.748 2.610 -10.253 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.677 4.122 -10.045 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.987 6.176 -10.394 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.687 4.789 -11.263 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.431 5.359 -9.750 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.764 5.835 -8.276 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.157 5.003 -7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.570 4.199 -7.603 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.217 1.722 -9.754 1.00 0.00 N ATOM 1468 CA LYS A 99 0.852 0.764 -9.494 1.00 0.00 C ATOM 1469 C LYS A 99 2.082 1.461 -8.916 1.00 0.00 C ATOM 1470 O LYS A 99 2.347 2.622 -9.219 1.00 0.00 O ATOM 1471 CB LYS A 99 1.230 0.028 -10.783 1.00 0.00 C ATOM 1472 CG LYS A 99 0.041 -0.591 -11.500 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.536 -1.759 -10.718 1.00 0.00 C ATOM 1474 CE LYS A 99 0.197 -3.055 -11.027 1.00 0.00 C ATOM 1475 NZ LYS A 99 -0.745 -4.187 -11.245 1.00 0.00 N ATOM 0 H LYS A 99 -0.106 2.255 -10.616 1.00 0.00 H new ATOM 0 HA LYS A 99 0.488 0.043 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.728 0.725 -11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.950 -0.756 -10.547 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -0.730 0.165 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.348 -0.931 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.472 -1.550 -9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.593 -1.872 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.814 -2.920 -11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.870 -3.296 -10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.676 -4.854 -10.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.717 -3.823 -11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.501 -4.676 -12.130 1.00 0.00 H new ATOM 1489 N PRO A 100 2.851 0.752 -8.066 1.00 0.00 N ATOM 1490 CA PRO A 100 4.056 1.306 -7.448 1.00 0.00 C ATOM 1491 C PRO A 100 4.919 2.026 -8.471 1.00 0.00 C ATOM 1492 O PRO A 100 5.293 3.184 -8.285 1.00 0.00 O ATOM 1493 CB PRO A 100 4.772 0.069 -6.909 1.00 0.00 C ATOM 1494 CG PRO A 100 3.678 -0.900 -6.621 1.00 0.00 C ATOM 1495 CD PRO A 100 2.606 -0.643 -7.648 1.00 0.00 C ATOM 0 HA PRO A 100 3.835 2.046 -6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.475 -0.332 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.343 0.301 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.040 -1.926 -6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.291 -0.761 -5.612 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.683 -1.333 -8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.609 -0.765 -7.225 1.00 0.00 H new ATOM 1503 N SER A 101 5.209 1.334 -9.570 1.00 0.00 N ATOM 1504 CA SER A 101 6.001 1.912 -10.643 1.00 0.00 C ATOM 1505 C SER A 101 5.348 3.200 -11.126 1.00 0.00 C ATOM 1506 O SER A 101 6.012 4.085 -11.665 1.00 0.00 O ATOM 1507 CB SER A 101 6.135 0.922 -11.803 1.00 0.00 C ATOM 1508 OG SER A 101 4.868 0.610 -12.356 1.00 0.00 O ATOM 0 H SER A 101 4.906 0.374 -9.737 1.00 0.00 H new ATOM 0 HA SER A 101 6.998 2.135 -10.264 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.778 1.346 -12.575 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.617 0.009 -11.453 1.00 0.00 H new ATOM 0 HG SER A 101 4.981 -0.023 -13.096 1.00 0.00 H new ATOM 1514 N ALA A 102 4.036 3.303 -10.906 1.00 0.00 N ATOM 1515 CA ALA A 102 3.291 4.488 -11.295 1.00 0.00 C ATOM 1516 C ALA A 102 3.300 5.523 -10.173 1.00 0.00 C ATOM 1517 O ALA A 102 2.959 6.686 -10.386 1.00 0.00 O ATOM 1518 CB ALA A 102 1.861 4.118 -11.665 1.00 0.00 C ATOM 0 H ALA A 102 3.474 2.578 -10.461 1.00 0.00 H new ATOM 0 HA ALA A 102 3.774 4.926 -12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.316 5.017 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.871 3.416 -12.499 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.371 3.657 -10.808 1.00 0.00 H new ATOM 1524 N VAL A 103 3.696 5.092 -8.974 1.00 0.00 N ATOM 1525 CA VAL A 103 3.751 5.985 -7.822 1.00 0.00 C ATOM 1526 C VAL A 103 5.181 6.446 -7.556 1.00 0.00 C ATOM 1527 O VAL A 103 6.001 5.687 -7.037 1.00 0.00 O ATOM 1528 CB VAL A 103 3.197 5.305 -6.556 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.117 6.297 -5.406 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.832 4.690 -6.834 1.00 0.00 C ATOM 0 H VAL A 103 3.982 4.133 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 103 3.130 6.849 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 103 3.880 4.506 -6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.723 5.797 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.112 6.685 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.458 7.120 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.456 4.214 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.139 5.470 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.923 3.945 -7.624 1.00 0.00 H new ATOM 1540 N THR A 104 5.473 7.692 -7.914 1.00 0.00 N ATOM 1541 CA THR A 104 6.804 8.254 -7.713 1.00 0.00 C ATOM 1542 C THR A 104 6.904 8.947 -6.358 1.00 0.00 C ATOM 1543 O THR A 104 6.248 9.960 -6.118 1.00 0.00 O ATOM 1544 CB THR A 104 7.136 9.243 -8.830 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.512 8.859 -10.043 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.621 9.368 -9.097 1.00 0.00 C ATOM 0 H THR A 104 4.806 8.332 -8.345 1.00 0.00 H new ATOM 0 HA THR A 104 7.524 7.436 -7.736 1.00 0.00 H new ATOM 0 HB THR A 104 6.763 10.206 -8.482 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.735 9.506 -10.745 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.787 10.085 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 104 9.125 9.712 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 104 9.021 8.397 -9.389 1.00 0.00 H new ATOM 1554 N VAL A 105 7.731 8.394 -5.476 1.00 0.00 N ATOM 1555 CA VAL A 105 7.918 8.960 -4.145 1.00 0.00 C ATOM 1556 C VAL A 105 8.835 10.176 -4.189 1.00 0.00 C ATOM 1557 O VAL A 105 9.794 10.215 -4.961 1.00 0.00 O ATOM 1558 CB VAL A 105 8.506 7.922 -3.171 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.509 8.464 -1.750 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.730 6.616 -3.250 1.00 0.00 C ATOM 0 H VAL A 105 8.282 7.555 -5.659 1.00 0.00 H new ATOM 0 HA VAL A 105 6.934 9.264 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 105 9.538 7.723 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.928 7.716 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.113 9.370 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.488 8.694 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.160 5.895 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.687 6.796 -2.988 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.786 6.220 -4.264 1.00 0.00 H new ATOM 1570 N GLY A 106 8.537 11.166 -3.354 1.00 0.00 N ATOM 1571 CA GLY A 106 9.346 12.371 -3.314 1.00 0.00 C ATOM 1572 C GLY A 106 9.058 13.221 -2.092 1.00 0.00 C ATOM 1573 O GLY A 106 8.638 14.372 -2.214 1.00 0.00 O ATOM 0 H GLY A 106 7.750 11.156 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.401 12.097 -3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 106 9.162 12.959 -4.213 1.00 0.00 H new ATOM 1577 N ASP A 107 9.283 12.653 -0.912 1.00 0.00 N ATOM 1578 CA ASP A 107 9.043 13.367 0.337 1.00 0.00 C ATOM 1579 C ASP A 107 9.646 12.613 1.518 1.00 0.00 C ATOM 1580 O ASP A 107 10.400 13.180 2.309 1.00 0.00 O ATOM 1581 CB ASP A 107 7.541 13.567 0.553 1.00 0.00 C ATOM 1582 CG ASP A 107 7.204 14.979 0.990 1.00 0.00 C ATOM 1583 OD1 ASP A 107 7.946 15.537 1.825 1.00 0.00 O ATOM 1584 OD2 ASP A 107 6.195 15.527 0.496 1.00 0.00 O ATOM 0 H ASP A 107 9.631 11.701 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 107 9.525 14.342 0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.010 13.339 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.188 12.862 1.306 1.00 0.00 H new ATOM 1589 N SER A 108 9.309 11.333 1.631 1.00 0.00 N ATOM 1590 CA SER A 108 9.817 10.501 2.716 1.00 0.00 C ATOM 1591 C SER A 108 10.488 9.245 2.171 1.00 0.00 C ATOM 1592 O SER A 108 10.378 8.936 0.984 1.00 0.00 O ATOM 1593 CB SER A 108 8.680 10.116 3.666 1.00 0.00 C ATOM 1594 OG SER A 108 9.087 10.224 5.020 1.00 0.00 O ATOM 0 H SER A 108 8.686 10.849 0.985 1.00 0.00 H new ATOM 0 HA SER A 108 10.561 11.078 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 108 7.820 10.762 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.360 9.095 3.460 1.00 0.00 H new ATOM 0 HG SER A 108 8.342 9.974 5.606 1.00 0.00 H new ATOM 1600 N GLY A 109 11.184 8.525 3.044 1.00 0.00 N ATOM 1601 CA GLY A 109 11.863 7.311 2.630 1.00 0.00 C ATOM 1602 C GLY A 109 12.740 6.734 3.726 1.00 0.00 C ATOM 1603 O GLY A 109 12.685 7.187 4.870 1.00 0.00 O ATOM 0 H GLY A 109 11.290 8.760 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.123 6.568 2.332 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.475 7.522 1.753 1.00 0.00 H new ATOM 1607 N PRO A 110 13.568 5.726 3.404 1.00 0.00 N ATOM 1608 CA PRO A 110 14.460 5.094 4.384 1.00 0.00 C ATOM 1609 C PRO A 110 15.562 6.036 4.854 1.00 0.00 C ATOM 1610 O PRO A 110 15.817 6.161 6.051 1.00 0.00 O ATOM 1611 CB PRO A 110 15.058 3.913 3.614 1.00 0.00 C ATOM 1612 CG PRO A 110 14.952 4.298 2.180 1.00 0.00 C ATOM 1613 CD PRO A 110 13.702 5.124 2.065 1.00 0.00 C ATOM 0 HA PRO A 110 13.928 4.802 5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 110 16.095 3.739 3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 110 14.512 2.992 3.817 1.00 0.00 H new ATOM 0 HG2 PRO A 110 15.826 4.867 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 110 14.897 3.416 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 110 13.793 5.885 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.837 4.511 1.811 1.00 0.00 H new ATOM 1621 N SER A 111 16.212 6.700 3.903 1.00 0.00 N ATOM 1622 CA SER A 111 17.288 7.632 4.220 1.00 0.00 C ATOM 1623 C SER A 111 17.059 8.978 3.539 1.00 0.00 C ATOM 1624 O SER A 111 18.009 9.675 3.182 1.00 0.00 O ATOM 1625 CB SER A 111 18.637 7.053 3.792 1.00 0.00 C ATOM 1626 OG SER A 111 19.693 7.584 4.575 1.00 0.00 O ATOM 0 H SER A 111 16.012 6.610 2.907 1.00 0.00 H new ATOM 0 HA SER A 111 17.295 7.787 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 111 18.618 5.968 3.890 1.00 0.00 H new ATOM 0 HB3 SER A 111 18.814 7.275 2.740 1.00 0.00 H new ATOM 0 HG SER A 111 20.544 7.197 4.282 1.00 0.00 H new ATOM 1632 N SER A 112 15.793 9.338 3.361 1.00 0.00 N ATOM 1633 CA SER A 112 15.438 10.600 2.723 1.00 0.00 C ATOM 1634 C SER A 112 14.177 11.189 3.346 1.00 0.00 C ATOM 1635 O SER A 112 13.399 11.867 2.674 1.00 0.00 O ATOM 1636 CB SER A 112 15.231 10.395 1.221 1.00 0.00 C ATOM 1637 OG SER A 112 14.672 9.121 0.952 1.00 0.00 O ATOM 0 H SER A 112 14.995 8.773 3.650 1.00 0.00 H new ATOM 0 HA SER A 112 16.259 11.300 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 112 14.574 11.173 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.185 10.494 0.703 1.00 0.00 H new ATOM 0 HG SER A 112 14.548 9.016 -0.014 1.00 0.00 H new ATOM 1643 N GLY A 113 13.979 10.927 4.634 1.00 0.00 N ATOM 1644 CA GLY A 113 12.811 11.438 5.325 1.00 0.00 C ATOM 1645 C GLY A 113 12.875 12.937 5.542 1.00 0.00 C ATOM 1646 O GLY A 113 13.451 13.365 6.565 1.00 0.00 O ATOM 1647 OXT GLY A 113 12.351 13.683 4.689 1.00 0.00 O ATOM 0 H GLY A 113 14.608 10.369 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 113 11.917 11.195 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 113 12.715 10.938 6.289 1.00 0.00 H new TER 1651 GLY A 113