USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 13 TYR OH : rot 12:sc= 0.595 USER MOD Set 1.2: A 88 ASN : amide:sc= -1.86 K(o=-1.3,f=0.23) USER MOD Single : A 1 GLU N :NH3+ 164:sc= -0.0772 (180deg=-0.719) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= 0.269 K(o=0.27,f=-5.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 10 TYR OH : rot -91:sc= -0.833! USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.952 K(o=-0.95,f=-0.21) USER MOD Single : A 19 ASN : amide:sc= -1.51 K(o=-1.5,f=-3.9!) USER MOD Single : A 28 SER OG : rot 11:sc= 1.24 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0378 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00359 USER MOD Single : A 38 LYS NZ :NH3+ -148:sc= 0.236 (180deg=-0.214) USER MOD Single : A 41 SER OG : rot 180:sc= 0.37 USER MOD Single : A 44 SER OG : rot 180:sc= -0.115 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -0.157 (180deg=-0.879) USER MOD Single : A 46 TYR OH : rot -95:sc= 0.0574 USER MOD Single : A 49 THR OG1 : rot 99:sc= -1.68! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 65 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0209) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 71 ASN : amide:sc= -1.44! C(o=-1.4!,f=-13!) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0.3 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-3.3!) USER MOD Single : A 97 THR OG1 : rot 146:sc= -2.73! USER MOD Single : A 100 THR OG1 : rot -117:sc= -0.323 USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.151) USER MOD Single : A 104 THR OG1 : rot 140:sc=-0.00806 USER MOD Single : A 105 ASN : amide:sc= -0.526 K(o=-0.53,f=-8.4!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.18) USER MOD Single : A 115 ASN : amide:sc= -2.01! C(o=-2!,f=-3.7!) USER MOD Single : A 117 ASN : amide:sc= -4! C(o=-4!,f=-8.4!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -1.67 X(o=-1.7,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.110 13.542 0.606 1.00 0.00 N ATOM 2 CA GLU A 1 2.951 13.677 -0.886 1.00 0.00 C ATOM 3 C GLU A 1 4.220 13.307 -1.688 1.00 0.00 C ATOM 4 O GLU A 1 4.122 12.626 -2.691 1.00 0.00 O ATOM 5 CB GLU A 1 2.554 15.117 -1.191 1.00 0.00 C ATOM 6 CG GLU A 1 3.689 16.093 -0.745 1.00 0.00 C ATOM 7 CD GLU A 1 3.140 17.508 -0.857 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.365 17.822 0.029 1.00 0.00 O ATOM 9 OE2 GLU A 1 3.543 18.131 -1.823 1.00 0.00 O ATOM 0 H1 GLU A 1 2.340 14.052 1.085 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.076 12.536 0.869 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.024 13.945 0.896 1.00 0.00 H new ATOM 0 HA GLU A 1 2.184 12.968 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.364 15.232 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.627 15.364 -0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.998 15.881 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.570 15.972 -1.376 1.00 0.00 H new ATOM 18 N GLN A 2 5.348 13.782 -1.225 1.00 0.00 N ATOM 19 CA GLN A 2 6.666 13.512 -1.877 1.00 0.00 C ATOM 20 C GLN A 2 7.654 12.928 -0.847 1.00 0.00 C ATOM 21 O GLN A 2 8.117 13.623 0.038 1.00 0.00 O ATOM 22 CB GLN A 2 7.197 14.847 -2.462 1.00 0.00 C ATOM 23 CG GLN A 2 6.278 15.297 -3.640 1.00 0.00 C ATOM 24 CD GLN A 2 6.747 16.626 -4.236 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.829 16.756 -4.763 1.00 0.00 O ATOM 26 NE2 GLN A 2 5.974 17.660 -4.185 1.00 0.00 N ATOM 0 H GLN A 2 5.411 14.367 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 2 6.554 12.782 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.217 15.614 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.221 14.722 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.274 14.530 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.252 15.397 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.055 17.589 -3.749 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.283 18.548 -4.581 1.00 0.00 H new ATOM 35 N ALA A 3 7.942 11.661 -0.984 1.00 0.00 N ATOM 36 CA ALA A 3 8.895 11.012 -0.037 1.00 0.00 C ATOM 37 C ALA A 3 10.009 10.360 -0.885 1.00 0.00 C ATOM 38 O ALA A 3 9.725 9.539 -1.745 1.00 0.00 O ATOM 39 CB ALA A 3 8.101 9.982 0.772 1.00 0.00 C ATOM 0 H ALA A 3 7.561 11.050 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 3 9.358 11.712 0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.765 9.484 1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.302 10.485 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.670 9.243 0.097 1.00 0.00 H new ATOM 45 N ASN A 4 11.235 10.749 -0.630 1.00 0.00 N ATOM 46 CA ASN A 4 12.404 10.190 -1.382 1.00 0.00 C ATOM 47 C ASN A 4 13.300 9.411 -0.406 1.00 0.00 C ATOM 48 O ASN A 4 13.088 9.461 0.788 1.00 0.00 O ATOM 49 CB ASN A 4 13.170 11.376 -2.034 1.00 0.00 C ATOM 50 CG ASN A 4 13.660 12.352 -0.964 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.921 12.758 -0.095 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.878 12.789 -0.950 1.00 0.00 N ATOM 0 H ASN A 4 11.479 11.441 0.078 1.00 0.00 H new ATOM 0 HA ASN A 4 12.082 9.504 -2.165 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.018 10.998 -2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.518 11.895 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 4 15.176 13.445 -0.228 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.540 12.477 -1.661 1.00 0.00 H new ATOM 59 N ASP A 5 14.271 8.724 -0.950 1.00 0.00 N ATOM 60 CA ASP A 5 15.255 7.890 -0.163 1.00 0.00 C ATOM 61 C ASP A 5 14.581 7.280 1.109 1.00 0.00 C ATOM 62 O ASP A 5 14.986 7.464 2.244 1.00 0.00 O ATOM 63 CB ASP A 5 16.465 8.855 0.168 1.00 0.00 C ATOM 64 CG ASP A 5 17.747 8.075 0.426 1.00 0.00 C ATOM 65 OD1 ASP A 5 18.005 7.324 -0.502 1.00 0.00 O ATOM 66 OD2 ASP A 5 18.374 8.261 1.459 1.00 0.00 O ATOM 0 H ASP A 5 14.436 8.702 -1.956 1.00 0.00 H new ATOM 0 HA ASP A 5 15.611 7.026 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.619 9.545 -0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.222 9.458 1.043 1.00 0.00 H new ATOM 71 N VAL A 6 13.532 6.545 0.820 1.00 0.00 N ATOM 72 CA VAL A 6 12.752 5.895 1.911 1.00 0.00 C ATOM 73 C VAL A 6 13.007 4.395 2.067 1.00 0.00 C ATOM 74 O VAL A 6 12.777 3.624 1.147 1.00 0.00 O ATOM 75 CB VAL A 6 11.231 6.070 1.656 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.419 5.846 2.948 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.859 7.440 1.089 1.00 0.00 C ATOM 0 H VAL A 6 13.186 6.370 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 6 13.085 6.391 2.823 1.00 0.00 H new ATOM 0 HB VAL A 6 10.983 5.315 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.357 5.975 2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.595 4.836 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.730 6.568 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.781 7.490 0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.163 8.218 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.368 7.590 0.137 1.00 0.00 H new ATOM 87 N ARG A 7 13.468 4.030 3.235 1.00 0.00 N ATOM 88 CA ARG A 7 13.745 2.595 3.534 1.00 0.00 C ATOM 89 C ARG A 7 12.312 2.047 3.662 1.00 0.00 C ATOM 90 O ARG A 7 11.630 2.334 4.626 1.00 0.00 O ATOM 91 CB ARG A 7 14.503 2.481 4.871 1.00 0.00 C ATOM 92 CG ARG A 7 15.898 3.128 4.768 1.00 0.00 C ATOM 93 CD ARG A 7 16.473 3.225 6.183 1.00 0.00 C ATOM 94 NE ARG A 7 17.875 3.737 6.024 1.00 0.00 N ATOM 95 CZ ARG A 7 18.767 3.530 6.922 1.00 0.00 C ATOM 96 NH1 ARG A 7 19.221 2.353 7.104 1.00 0.00 N ATOM 97 NH2 ARG A 7 19.147 4.538 7.596 1.00 0.00 N ATOM 0 H ARG A 7 13.666 4.673 4.002 1.00 0.00 H new ATOM 0 HA ARG A 7 14.357 2.073 2.798 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.930 2.966 5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.604 1.432 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.550 2.531 4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.828 4.117 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.879 3.899 6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.466 2.252 6.675 1.00 0.00 H new ATOM 0 HE ARG A 7 18.123 4.260 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.875 1.579 6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 7 19.930 2.185 7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.745 5.457 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.854 4.428 8.323 1.00 0.00 H new ATOM 111 N ALA A 8 11.886 1.291 2.700 1.00 0.00 N ATOM 112 CA ALA A 8 10.528 0.708 2.697 1.00 0.00 C ATOM 113 C ALA A 8 10.510 -0.821 2.839 1.00 0.00 C ATOM 114 O ALA A 8 11.261 -1.564 2.230 1.00 0.00 O ATOM 115 CB ALA A 8 9.843 1.136 1.366 1.00 0.00 C ATOM 0 H ALA A 8 12.447 1.045 1.884 1.00 0.00 H new ATOM 0 HA ALA A 8 9.992 1.082 3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.835 0.723 1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.792 2.224 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.422 0.761 0.522 1.00 0.00 H new ATOM 121 N THR A 9 9.609 -1.236 3.676 1.00 0.00 N ATOM 122 CA THR A 9 9.386 -2.686 3.962 1.00 0.00 C ATOM 123 C THR A 9 8.453 -3.063 2.792 1.00 0.00 C ATOM 124 O THR A 9 8.020 -2.182 2.081 1.00 0.00 O ATOM 125 CB THR A 9 8.688 -2.803 5.329 1.00 0.00 C ATOM 126 OG1 THR A 9 7.843 -1.661 5.385 1.00 0.00 O ATOM 127 CG2 THR A 9 9.660 -2.521 6.460 1.00 0.00 C ATOM 0 H THR A 9 8.993 -0.611 4.195 1.00 0.00 H new ATOM 0 HA THR A 9 10.271 -3.319 4.022 1.00 0.00 H new ATOM 0 HB THR A 9 8.227 -3.786 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.353 -1.658 6.234 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.143 -2.610 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.479 -3.239 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.057 -1.511 6.355 1.00 0.00 H new ATOM 135 N TYR A 10 8.137 -4.310 2.561 1.00 0.00 N ATOM 136 CA TYR A 10 7.222 -4.609 1.393 1.00 0.00 C ATOM 137 C TYR A 10 6.082 -5.643 1.612 1.00 0.00 C ATOM 138 O TYR A 10 6.054 -6.691 0.987 1.00 0.00 O ATOM 139 CB TYR A 10 8.194 -5.011 0.257 1.00 0.00 C ATOM 140 CG TYR A 10 8.878 -6.343 0.574 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.841 -6.441 1.555 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.509 -7.475 -0.122 1.00 0.00 C ATOM 143 CE1 TYR A 10 10.415 -7.660 1.831 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.086 -8.691 0.151 1.00 0.00 C ATOM 145 CZ TYR A 10 10.040 -8.779 1.134 1.00 0.00 C ATOM 146 OH TYR A 10 10.638 -9.969 1.444 1.00 0.00 O ATOM 0 H TYR A 10 8.453 -5.115 3.101 1.00 0.00 H new ATOM 0 HA TYR A 10 6.618 -3.728 1.176 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.648 -5.092 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.946 -4.233 0.123 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.144 -5.563 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.756 -7.404 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 10 11.167 -7.736 2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.792 -9.570 -0.403 1.00 0.00 H new ATOM 0 HH TYR A 10 11.431 -10.093 0.882 1.00 0.00 H new ATOM 156 N HIS A 11 5.151 -5.327 2.476 1.00 0.00 N ATOM 157 CA HIS A 11 4.064 -6.352 2.671 1.00 0.00 C ATOM 158 C HIS A 11 2.852 -5.798 1.899 1.00 0.00 C ATOM 159 O HIS A 11 2.589 -4.602 1.816 1.00 0.00 O ATOM 160 CB HIS A 11 3.811 -6.527 4.217 1.00 0.00 C ATOM 161 CG HIS A 11 3.293 -7.945 4.472 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.951 -8.905 5.036 1.00 0.00 N ATOM 163 CD2 HIS A 11 2.070 -8.507 4.175 1.00 0.00 C ATOM 164 CE1 HIS A 11 3.214 -9.971 5.090 1.00 0.00 C ATOM 165 NE2 HIS A 11 2.034 -9.764 4.564 1.00 0.00 N ATOM 0 H HIS A 11 5.087 -4.469 3.024 1.00 0.00 H new ATOM 0 HA HIS A 11 4.306 -7.347 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.733 -6.356 4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.087 -5.791 4.567 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.255 -7.989 3.691 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.534 -10.911 5.515 1.00 0.00 H new ATOM 0 HE2 HIS A 11 1.263 -10.425 4.476 1.00 0.00 H new ATOM 173 N TYR A 12 2.125 -6.718 1.335 1.00 0.00 N ATOM 174 CA TYR A 12 0.927 -6.339 0.538 1.00 0.00 C ATOM 175 C TYR A 12 -0.178 -7.404 0.463 1.00 0.00 C ATOM 176 O TYR A 12 -0.013 -8.524 0.892 1.00 0.00 O ATOM 177 CB TYR A 12 1.477 -5.969 -0.873 1.00 0.00 C ATOM 178 CG TYR A 12 2.243 -7.152 -1.434 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.562 -8.265 -1.873 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.620 -7.124 -1.481 1.00 0.00 C ATOM 181 CE1 TYR A 12 2.258 -9.346 -2.353 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.307 -8.212 -1.965 1.00 0.00 C ATOM 183 CZ TYR A 12 3.631 -9.319 -2.399 1.00 0.00 C ATOM 184 OH TYR A 12 4.350 -10.393 -2.867 1.00 0.00 O ATOM 0 H TYR A 12 2.309 -7.720 1.391 1.00 0.00 H new ATOM 0 HA TYR A 12 0.415 -5.510 1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.656 -5.703 -1.539 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.128 -5.097 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.483 -8.287 -1.840 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.157 -6.251 -1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.725 -10.221 -2.696 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.386 -8.193 -2.003 1.00 0.00 H new ATOM 0 HH TYR A 12 5.308 -10.189 -2.825 1.00 0.00 H new ATOM 194 N TYR A 13 -1.263 -6.974 -0.107 1.00 0.00 N ATOM 195 CA TYR A 13 -2.471 -7.850 -0.297 1.00 0.00 C ATOM 196 C TYR A 13 -2.521 -8.237 -1.822 1.00 0.00 C ATOM 197 O TYR A 13 -1.946 -7.505 -2.625 1.00 0.00 O ATOM 198 CB TYR A 13 -3.765 -7.046 0.101 1.00 0.00 C ATOM 199 CG TYR A 13 -3.773 -6.419 1.519 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.778 -6.613 2.459 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.842 -5.607 1.859 1.00 0.00 C ATOM 202 CE1 TYR A 13 -2.851 -6.004 3.699 1.00 0.00 C ATOM 203 CE2 TYR A 13 -4.924 -4.996 3.103 1.00 0.00 C ATOM 204 CZ TYR A 13 -3.913 -5.190 4.040 1.00 0.00 C ATOM 205 OH TYR A 13 -3.878 -4.605 5.301 1.00 0.00 O ATOM 0 H TYR A 13 -1.376 -6.025 -0.463 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.418 -8.744 0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.910 -6.248 -0.627 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.622 -7.714 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.936 -7.246 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.631 -5.445 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.060 -6.169 4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.771 -4.371 3.343 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.986 -4.721 5.691 1.00 0.00 H new ATOM 215 N ARG A 14 -3.202 -9.341 -2.110 1.00 0.00 N ATOM 216 CA ARG A 14 -3.391 -9.913 -3.506 1.00 0.00 C ATOM 217 C ARG A 14 -4.910 -10.116 -3.961 1.00 0.00 C ATOM 218 O ARG A 14 -5.164 -10.999 -4.755 1.00 0.00 O ATOM 219 CB ARG A 14 -2.635 -11.292 -3.530 1.00 0.00 C ATOM 220 CG ARG A 14 -2.497 -11.883 -4.979 1.00 0.00 C ATOM 221 CD ARG A 14 -2.192 -13.370 -4.931 1.00 0.00 C ATOM 222 NE ARG A 14 -2.214 -13.813 -6.369 1.00 0.00 N ATOM 223 CZ ARG A 14 -1.809 -14.961 -6.725 1.00 0.00 C ATOM 224 NH1 ARG A 14 -2.428 -15.952 -6.221 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.835 -15.018 -7.542 1.00 0.00 N ATOM 0 H ARG A 14 -3.660 -9.899 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.993 -9.190 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.642 -11.165 -3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -3.168 -12.005 -2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.420 -11.715 -5.534 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.703 -11.362 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.221 -13.560 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.934 -13.907 -4.340 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.565 -13.170 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.200 -15.795 -5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.153 -16.903 -6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.408 -14.158 -7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.481 -15.923 -7.851 1.00 0.00 H new ATOM 239 N PRO A 15 -5.892 -9.359 -3.495 1.00 0.00 N ATOM 240 CA PRO A 15 -7.309 -9.402 -4.028 1.00 0.00 C ATOM 241 C PRO A 15 -7.518 -9.998 -5.446 1.00 0.00 C ATOM 242 O PRO A 15 -8.460 -10.717 -5.719 1.00 0.00 O ATOM 243 CB PRO A 15 -7.728 -7.941 -3.864 1.00 0.00 C ATOM 244 CG PRO A 15 -7.124 -7.598 -2.470 1.00 0.00 C ATOM 245 CD PRO A 15 -5.767 -8.356 -2.407 1.00 0.00 C ATOM 0 HA PRO A 15 -7.934 -10.114 -3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.323 -7.307 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.811 -7.821 -3.882 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.979 -6.523 -2.359 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.788 -7.915 -1.666 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.923 -7.686 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -5.614 -8.830 -1.437 1.00 0.00 H new ATOM 253 N ALA A 16 -6.625 -9.654 -6.334 1.00 0.00 N ATOM 254 CA ALA A 16 -6.645 -10.138 -7.754 1.00 0.00 C ATOM 255 C ALA A 16 -7.045 -11.632 -7.858 1.00 0.00 C ATOM 256 O ALA A 16 -7.788 -12.013 -8.739 1.00 0.00 O ATOM 257 CB ALA A 16 -5.240 -9.877 -8.348 1.00 0.00 C ATOM 0 H ALA A 16 -5.846 -9.029 -6.127 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.403 -9.598 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.214 -10.217 -9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.022 -8.810 -8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.493 -10.421 -7.769 1.00 0.00 H new ATOM 263 N GLN A 17 -6.529 -12.429 -6.951 1.00 0.00 N ATOM 264 CA GLN A 17 -6.861 -13.904 -6.964 1.00 0.00 C ATOM 265 C GLN A 17 -8.393 -14.148 -7.097 1.00 0.00 C ATOM 266 O GLN A 17 -8.807 -15.128 -7.677 1.00 0.00 O ATOM 267 CB GLN A 17 -6.330 -14.577 -5.662 1.00 0.00 C ATOM 268 CG GLN A 17 -6.466 -16.134 -5.893 1.00 0.00 C ATOM 269 CD GLN A 17 -5.826 -17.003 -4.815 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.524 -18.150 -5.037 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.581 -16.552 -3.630 1.00 0.00 N ATOM 0 H GLN A 17 -5.898 -12.132 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.375 -14.348 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.293 -14.299 -5.474 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.908 -14.259 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.525 -16.385 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.017 -16.384 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.817 -15.589 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.151 -17.159 -2.932 1.00 0.00 H new ATOM 280 N ASN A 18 -9.168 -13.248 -6.550 1.00 0.00 N ATOM 281 CA ASN A 18 -10.662 -13.310 -6.586 1.00 0.00 C ATOM 282 C ASN A 18 -11.039 -12.148 -7.539 1.00 0.00 C ATOM 283 O ASN A 18 -11.898 -11.342 -7.246 1.00 0.00 O ATOM 284 CB ASN A 18 -11.136 -13.085 -5.137 1.00 0.00 C ATOM 285 CG ASN A 18 -12.629 -13.321 -4.936 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.122 -13.342 -3.830 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.415 -13.506 -5.943 1.00 0.00 N ATOM 0 H ASN A 18 -8.807 -12.432 -6.055 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.107 -14.242 -6.933 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.580 -13.749 -4.475 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.895 -12.064 -4.840 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.411 -13.662 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.040 -13.496 -6.891 1.00 0.00 H new ATOM 294 N ASN A 19 -10.366 -12.125 -8.670 1.00 0.00 N ATOM 295 CA ASN A 19 -10.530 -11.092 -9.755 1.00 0.00 C ATOM 296 C ASN A 19 -10.856 -9.727 -9.087 1.00 0.00 C ATOM 297 O ASN A 19 -11.771 -8.990 -9.425 1.00 0.00 O ATOM 298 CB ASN A 19 -11.650 -11.597 -10.677 1.00 0.00 C ATOM 299 CG ASN A 19 -11.585 -10.783 -11.949 1.00 0.00 C ATOM 300 OD1 ASN A 19 -10.991 -11.176 -12.925 1.00 0.00 O ATOM 301 ND2 ASN A 19 -12.161 -9.626 -12.014 1.00 0.00 N ATOM 0 H ASN A 19 -9.663 -12.828 -8.898 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.629 -10.944 -10.351 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.522 -12.658 -10.892 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.623 -11.484 -10.198 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.105 -9.076 -12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.671 -9.264 -11.208 1.00 0.00 H new ATOM 308 N TRP A 20 -9.972 -9.509 -8.149 1.00 0.00 N ATOM 309 CA TRP A 20 -9.886 -8.345 -7.230 1.00 0.00 C ATOM 310 C TRP A 20 -11.288 -7.963 -6.765 1.00 0.00 C ATOM 311 O TRP A 20 -11.906 -6.963 -7.077 1.00 0.00 O ATOM 312 CB TRP A 20 -9.283 -7.117 -7.873 1.00 0.00 C ATOM 313 CG TRP A 20 -8.348 -7.222 -9.059 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.799 -7.552 -10.260 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.041 -6.934 -9.127 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.712 -7.440 -11.016 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.588 -7.057 -10.413 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.182 -6.545 -8.143 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.255 -6.759 -10.671 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.875 -6.263 -8.436 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.404 -6.367 -9.695 1.00 0.00 C ATOM 0 H TRP A 20 -9.223 -10.179 -7.973 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.243 -8.656 -6.407 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.113 -6.480 -8.180 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.744 -6.583 -7.091 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.798 -7.840 -10.551 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.737 -7.639 -12.016 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -6.535 -6.459 -7.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.887 -6.843 -11.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.209 -5.952 -7.645 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.372 -6.143 -9.919 1.00 0.00 H new ATOM 332 N ASP A 21 -11.758 -8.844 -5.969 1.00 0.00 N ATOM 333 CA ASP A 21 -13.094 -8.710 -5.383 1.00 0.00 C ATOM 334 C ASP A 21 -13.020 -7.686 -4.242 1.00 0.00 C ATOM 335 O ASP A 21 -13.066 -7.942 -3.058 1.00 0.00 O ATOM 336 CB ASP A 21 -13.541 -10.102 -4.907 1.00 0.00 C ATOM 337 CG ASP A 21 -14.996 -9.967 -4.437 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.771 -9.608 -5.312 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.243 -10.207 -3.268 1.00 0.00 O ATOM 0 H ASP A 21 -11.255 -9.685 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.830 -8.348 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.462 -10.830 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.904 -10.455 -4.096 1.00 0.00 H new ATOM 344 N LEU A 22 -12.868 -6.477 -4.695 1.00 0.00 N ATOM 345 CA LEU A 22 -12.783 -5.271 -3.831 1.00 0.00 C ATOM 346 C LEU A 22 -13.850 -5.272 -2.717 1.00 0.00 C ATOM 347 O LEU A 22 -13.703 -4.628 -1.700 1.00 0.00 O ATOM 348 CB LEU A 22 -12.906 -4.073 -4.816 1.00 0.00 C ATOM 349 CG LEU A 22 -11.671 -3.981 -5.751 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.766 -2.656 -6.541 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.425 -3.892 -4.832 1.00 0.00 C ATOM 0 H LEU A 22 -12.795 -6.266 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.847 -5.223 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.810 -4.183 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.008 -3.145 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.617 -4.831 -6.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.908 -2.567 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.684 -2.648 -7.129 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.774 -1.817 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.526 -3.825 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.501 -3.007 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.372 -4.782 -4.204 1.00 0.00 H new ATOM 363 N GLY A 23 -14.895 -6.015 -2.991 1.00 0.00 N ATOM 364 CA GLY A 23 -16.037 -6.148 -2.026 1.00 0.00 C ATOM 365 C GLY A 23 -15.968 -7.460 -1.224 1.00 0.00 C ATOM 366 O GLY A 23 -16.973 -7.928 -0.727 1.00 0.00 O ATOM 0 H GLY A 23 -15.008 -6.544 -3.856 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.030 -5.302 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.979 -6.107 -2.572 1.00 0.00 H new ATOM 370 N ALA A 24 -14.786 -8.008 -1.112 1.00 0.00 N ATOM 371 CA ALA A 24 -14.590 -9.276 -0.349 1.00 0.00 C ATOM 372 C ALA A 24 -14.400 -8.824 1.121 1.00 0.00 C ATOM 373 O ALA A 24 -13.392 -8.209 1.428 1.00 0.00 O ATOM 374 CB ALA A 24 -13.311 -10.016 -0.844 1.00 0.00 C ATOM 0 H ALA A 24 -13.935 -7.624 -1.524 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.427 -9.963 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.182 -10.938 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.414 -10.252 -1.903 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.441 -9.376 -0.698 1.00 0.00 H new ATOM 380 N PRO A 25 -15.355 -9.117 1.990 1.00 0.00 N ATOM 381 CA PRO A 25 -15.354 -8.627 3.406 1.00 0.00 C ATOM 382 C PRO A 25 -13.936 -8.501 4.002 1.00 0.00 C ATOM 383 O PRO A 25 -13.551 -7.499 4.566 1.00 0.00 O ATOM 384 CB PRO A 25 -16.263 -9.638 4.159 1.00 0.00 C ATOM 385 CG PRO A 25 -16.730 -10.668 3.073 1.00 0.00 C ATOM 386 CD PRO A 25 -16.545 -9.976 1.723 1.00 0.00 C ATOM 0 HA PRO A 25 -15.733 -7.608 3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.718 -10.134 4.962 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.115 -9.135 4.616 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.141 -11.583 3.125 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.772 -10.950 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.364 -10.689 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.419 -9.390 1.439 1.00 0.00 H new ATOM 394 N ALA A 26 -13.221 -9.582 3.837 1.00 0.00 N ATOM 395 CA ALA A 26 -11.806 -9.743 4.308 1.00 0.00 C ATOM 396 C ALA A 26 -10.929 -8.487 4.149 1.00 0.00 C ATOM 397 O ALA A 26 -10.054 -8.190 4.937 1.00 0.00 O ATOM 398 CB ALA A 26 -11.230 -10.935 3.522 1.00 0.00 C ATOM 0 H ALA A 26 -13.582 -10.411 3.366 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.806 -9.915 5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.196 -11.103 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.819 -11.828 3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.267 -10.719 2.454 1.00 0.00 H new ATOM 404 N VAL A 27 -11.238 -7.803 3.091 1.00 0.00 N ATOM 405 CA VAL A 27 -10.538 -6.550 2.700 1.00 0.00 C ATOM 406 C VAL A 27 -11.431 -5.314 2.696 1.00 0.00 C ATOM 407 O VAL A 27 -11.193 -4.330 3.358 1.00 0.00 O ATOM 408 CB VAL A 27 -9.987 -6.669 1.278 1.00 0.00 C ATOM 409 CG1 VAL A 27 -8.943 -5.546 1.071 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.409 -8.078 0.987 1.00 0.00 C ATOM 0 H VAL A 27 -11.983 -8.074 2.449 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.757 -6.427 3.451 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.798 -6.545 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.535 -5.610 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.420 -4.576 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.137 -5.660 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.030 -8.112 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.596 -8.289 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.193 -8.825 1.108 1.00 0.00 H new ATOM 420 N SER A 28 -12.438 -5.485 1.890 1.00 0.00 N ATOM 421 CA SER A 28 -13.497 -4.471 1.625 1.00 0.00 C ATOM 422 C SER A 28 -12.789 -3.116 1.387 1.00 0.00 C ATOM 423 O SER A 28 -12.464 -2.382 2.301 1.00 0.00 O ATOM 424 CB SER A 28 -14.493 -4.407 2.848 1.00 0.00 C ATOM 425 OG SER A 28 -13.817 -3.898 3.991 1.00 0.00 O ATOM 0 H SER A 28 -12.577 -6.350 1.368 1.00 0.00 H new ATOM 0 HA SER A 28 -14.088 -4.730 0.747 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.344 -3.771 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.888 -5.400 3.060 1.00 0.00 H new ATOM 0 HG SER A 28 -12.942 -3.547 3.724 1.00 0.00 H new ATOM 431 N ALA A 29 -12.574 -2.829 0.130 1.00 0.00 N ATOM 432 CA ALA A 29 -11.876 -1.565 -0.278 1.00 0.00 C ATOM 433 C ALA A 29 -12.717 -0.303 -0.529 1.00 0.00 C ATOM 434 O ALA A 29 -13.795 -0.362 -1.097 1.00 0.00 O ATOM 435 CB ALA A 29 -11.078 -1.922 -1.528 1.00 0.00 C ATOM 0 H ALA A 29 -12.856 -3.426 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.284 -1.256 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.542 -1.041 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.364 -2.711 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.757 -2.269 -2.306 1.00 0.00 H new ATOM 441 N TYR A 30 -12.169 0.821 -0.120 1.00 0.00 N ATOM 442 CA TYR A 30 -12.874 2.135 -0.293 1.00 0.00 C ATOM 443 C TYR A 30 -13.670 2.413 -1.566 1.00 0.00 C ATOM 444 O TYR A 30 -14.859 2.644 -1.517 1.00 0.00 O ATOM 445 CB TYR A 30 -11.851 3.298 -0.128 1.00 0.00 C ATOM 446 CG TYR A 30 -12.263 4.214 1.040 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.522 4.802 1.003 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.434 4.492 2.103 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.933 5.651 2.015 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.853 5.341 3.112 1.00 0.00 C ATOM 451 CZ TYR A 30 -13.099 5.921 3.070 1.00 0.00 C ATOM 452 OH TYR A 30 -13.502 6.765 4.080 1.00 0.00 O ATOM 0 H TYR A 30 -11.256 0.884 0.330 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.639 2.068 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.856 2.892 0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.796 3.876 -1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -14.185 4.594 0.177 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.452 4.045 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.913 6.102 1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.194 5.550 3.942 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.787 6.843 4.746 1.00 0.00 H new ATOM 462 N CYS A 31 -12.997 2.382 -2.673 1.00 0.00 N ATOM 463 CA CYS A 31 -13.672 2.655 -3.963 1.00 0.00 C ATOM 464 C CYS A 31 -14.256 1.377 -4.584 1.00 0.00 C ATOM 465 O CYS A 31 -14.561 1.305 -5.757 1.00 0.00 O ATOM 466 CB CYS A 31 -12.539 3.402 -4.726 1.00 0.00 C ATOM 467 SG CYS A 31 -12.020 4.816 -3.704 1.00 0.00 S ATOM 0 H CYS A 31 -12.000 2.178 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.578 3.260 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.697 2.734 -4.910 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.894 3.743 -5.699 1.00 0.00 H new ATOM 472 N ALA A 32 -14.439 0.349 -3.781 1.00 0.00 N ATOM 473 CA ALA A 32 -15.018 -0.924 -4.327 1.00 0.00 C ATOM 474 C ALA A 32 -16.351 -0.550 -4.997 1.00 0.00 C ATOM 475 O ALA A 32 -16.535 -0.791 -6.171 1.00 0.00 O ATOM 476 CB ALA A 32 -15.215 -1.892 -3.147 1.00 0.00 C ATOM 0 H ALA A 32 -14.216 0.337 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.375 -1.412 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.636 -2.829 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.254 -2.086 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.896 -1.447 -2.421 1.00 0.00 H new ATOM 482 N THR A 33 -17.218 0.039 -4.217 1.00 0.00 N ATOM 483 CA THR A 33 -18.578 0.495 -4.669 1.00 0.00 C ATOM 484 C THR A 33 -18.560 1.227 -6.022 1.00 0.00 C ATOM 485 O THR A 33 -19.496 1.161 -6.792 1.00 0.00 O ATOM 486 CB THR A 33 -19.130 1.421 -3.593 1.00 0.00 C ATOM 487 OG1 THR A 33 -19.043 0.656 -2.402 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.622 1.619 -3.714 1.00 0.00 C ATOM 0 H THR A 33 -17.033 0.234 -3.233 1.00 0.00 H new ATOM 0 HA THR A 33 -19.203 -0.386 -4.813 1.00 0.00 H new ATOM 0 HB THR A 33 -18.601 2.373 -3.643 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.381 1.184 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.966 2.287 -2.924 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.853 2.056 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.126 0.657 -3.620 1.00 0.00 H new ATOM 496 N TRP A 34 -17.475 1.911 -6.260 1.00 0.00 N ATOM 497 CA TRP A 34 -17.301 2.690 -7.529 1.00 0.00 C ATOM 498 C TRP A 34 -16.347 2.092 -8.582 1.00 0.00 C ATOM 499 O TRP A 34 -16.290 2.615 -9.681 1.00 0.00 O ATOM 500 CB TRP A 34 -16.884 4.096 -7.054 1.00 0.00 C ATOM 501 CG TRP A 34 -18.104 4.731 -6.359 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.341 4.928 -6.911 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.119 5.166 -5.089 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.017 5.473 -5.913 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.363 5.654 -4.776 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.106 5.171 -4.159 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.603 6.151 -3.512 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.339 5.668 -2.889 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.593 6.157 -2.567 1.00 0.00 C ATOM 0 H TRP A 34 -16.684 1.967 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.232 2.685 -8.096 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.040 4.034 -6.366 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.563 4.706 -7.898 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.680 4.697 -7.910 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.996 5.741 -6.015 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.130 4.788 -4.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.580 6.536 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.548 5.674 -2.154 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.783 6.544 -1.577 1.00 0.00 H new ATOM 520 N ASP A 35 -15.633 1.048 -8.244 1.00 0.00 N ATOM 521 CA ASP A 35 -14.688 0.378 -9.211 1.00 0.00 C ATOM 522 C ASP A 35 -15.150 -1.031 -9.576 1.00 0.00 C ATOM 523 O ASP A 35 -14.932 -1.473 -10.685 1.00 0.00 O ATOM 524 CB ASP A 35 -13.267 0.284 -8.624 1.00 0.00 C ATOM 525 CG ASP A 35 -12.477 1.516 -9.045 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.681 2.000 -10.148 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.708 1.915 -8.199 1.00 0.00 O ATOM 0 H ASP A 35 -15.661 0.617 -7.320 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.681 0.997 -10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.312 0.218 -7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.772 -0.620 -8.978 1.00 0.00 H new ATOM 532 N ALA A 36 -15.778 -1.715 -8.655 1.00 0.00 N ATOM 533 CA ALA A 36 -16.267 -3.101 -8.942 1.00 0.00 C ATOM 534 C ALA A 36 -17.292 -3.054 -10.111 1.00 0.00 C ATOM 535 O ALA A 36 -17.653 -4.066 -10.678 1.00 0.00 O ATOM 536 CB ALA A 36 -16.864 -3.619 -7.626 1.00 0.00 C ATOM 0 H ALA A 36 -15.975 -1.375 -7.714 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.477 -3.778 -9.268 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.240 -4.632 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.094 -3.625 -6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.682 -2.969 -7.317 1.00 0.00 H new ATOM 542 N SER A 37 -17.694 -1.842 -10.401 1.00 0.00 N ATOM 543 CA SER A 37 -18.674 -1.467 -11.481 1.00 0.00 C ATOM 544 C SER A 37 -17.940 -1.207 -12.818 1.00 0.00 C ATOM 545 O SER A 37 -18.552 -1.239 -13.868 1.00 0.00 O ATOM 546 CB SER A 37 -19.395 -0.197 -11.064 1.00 0.00 C ATOM 547 OG SER A 37 -18.318 0.744 -11.078 1.00 0.00 O ATOM 0 H SER A 37 -17.353 -1.028 -9.889 1.00 0.00 H new ATOM 0 HA SER A 37 -19.380 -2.286 -11.619 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.189 0.074 -11.760 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.852 -0.287 -10.078 1.00 0.00 H new ATOM 0 HG SER A 37 -18.653 1.629 -10.823 1.00 0.00 H new ATOM 553 N LYS A 38 -16.651 -0.957 -12.754 1.00 0.00 N ATOM 554 CA LYS A 38 -15.827 -0.692 -13.977 1.00 0.00 C ATOM 555 C LYS A 38 -15.363 -2.023 -14.597 1.00 0.00 C ATOM 556 O LYS A 38 -15.094 -3.000 -13.918 1.00 0.00 O ATOM 557 CB LYS A 38 -14.519 0.117 -13.653 1.00 0.00 C ATOM 558 CG LYS A 38 -14.648 1.656 -13.781 1.00 0.00 C ATOM 559 CD LYS A 38 -15.537 2.182 -12.647 1.00 0.00 C ATOM 560 CE LYS A 38 -15.457 3.701 -12.542 1.00 0.00 C ATOM 561 NZ LYS A 38 -14.107 4.116 -12.013 1.00 0.00 N ATOM 0 H LYS A 38 -16.124 -0.925 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.463 -0.119 -14.652 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.205 -0.122 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.726 -0.222 -14.320 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.663 2.121 -13.733 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.078 1.918 -14.748 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.570 1.881 -12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.230 1.733 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.626 4.150 -13.521 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.243 4.069 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.207 4.986 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.722 3.359 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.461 4.290 -12.809 1.00 0.00 H new ATOM 575 N PRO A 39 -15.259 -2.018 -15.910 1.00 0.00 N ATOM 576 CA PRO A 39 -14.954 -3.262 -16.665 1.00 0.00 C ATOM 577 C PRO A 39 -13.594 -3.868 -16.257 1.00 0.00 C ATOM 578 O PRO A 39 -12.671 -3.178 -15.859 1.00 0.00 O ATOM 579 CB PRO A 39 -15.020 -2.814 -18.132 1.00 0.00 C ATOM 580 CG PRO A 39 -14.571 -1.325 -18.030 1.00 0.00 C ATOM 581 CD PRO A 39 -15.395 -0.840 -16.828 1.00 0.00 C ATOM 0 HA PRO A 39 -15.652 -4.074 -16.463 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.356 -3.399 -18.769 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.024 -2.911 -18.545 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.499 -1.230 -17.858 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.799 -0.765 -18.937 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.993 0.074 -16.392 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.433 -0.638 -17.092 1.00 0.00 H new ATOM 589 N LEU A 40 -13.528 -5.170 -16.376 1.00 0.00 N ATOM 590 CA LEU A 40 -12.286 -5.942 -16.033 1.00 0.00 C ATOM 591 C LEU A 40 -10.942 -5.354 -16.525 1.00 0.00 C ATOM 592 O LEU A 40 -9.972 -5.346 -15.788 1.00 0.00 O ATOM 593 CB LEU A 40 -12.483 -7.373 -16.579 1.00 0.00 C ATOM 594 CG LEU A 40 -12.415 -8.410 -15.436 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.815 -9.777 -15.982 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.935 -8.507 -14.995 1.00 0.00 C ATOM 0 H LEU A 40 -14.301 -5.748 -16.705 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.183 -5.903 -14.949 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.446 -7.445 -17.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.716 -7.593 -17.322 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.071 -8.120 -14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.770 -10.516 -15.182 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.831 -9.729 -16.375 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.131 -10.064 -16.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.843 -9.232 -14.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.324 -8.826 -15.839 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.594 -7.531 -14.649 1.00 0.00 H new ATOM 608 N SER A 41 -10.916 -4.887 -17.754 1.00 0.00 N ATOM 609 CA SER A 41 -9.662 -4.289 -18.328 1.00 0.00 C ATOM 610 C SER A 41 -9.074 -3.201 -17.400 1.00 0.00 C ATOM 611 O SER A 41 -8.109 -3.463 -16.703 1.00 0.00 O ATOM 612 CB SER A 41 -10.025 -3.719 -19.739 1.00 0.00 C ATOM 613 OG SER A 41 -11.064 -2.748 -19.549 1.00 0.00 O ATOM 0 H SER A 41 -11.715 -4.894 -18.389 1.00 0.00 H new ATOM 0 HA SER A 41 -8.885 -5.048 -18.419 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.152 -3.262 -20.206 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.360 -4.517 -20.402 1.00 0.00 H new ATOM 0 HG SER A 41 -11.317 -2.366 -20.415 1.00 0.00 H new ATOM 619 N TRP A 42 -9.664 -2.031 -17.420 1.00 0.00 N ATOM 620 CA TRP A 42 -9.209 -0.880 -16.570 1.00 0.00 C ATOM 621 C TRP A 42 -8.816 -1.392 -15.177 1.00 0.00 C ATOM 622 O TRP A 42 -7.715 -1.144 -14.718 1.00 0.00 O ATOM 623 CB TRP A 42 -10.355 0.126 -16.469 1.00 0.00 C ATOM 624 CG TRP A 42 -9.899 1.390 -15.707 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.189 2.393 -16.286 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.115 1.711 -14.404 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.029 3.248 -15.303 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.543 2.936 -14.134 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.762 1.061 -13.390 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.616 3.506 -12.881 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.827 1.623 -12.154 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.268 2.849 -11.869 1.00 0.00 C ATOM 0 H TRP A 42 -10.469 -1.817 -18.009 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.339 -0.397 -17.015 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.696 0.399 -17.468 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.202 -0.329 -15.956 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.841 2.468 -17.306 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.524 4.123 -15.441 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.222 0.101 -13.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.161 4.468 -12.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.336 1.088 -11.366 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.341 3.279 -10.881 1.00 0.00 H new ATOM 643 N ARG A 43 -9.756 -2.096 -14.588 1.00 0.00 N ATOM 644 CA ARG A 43 -9.590 -2.694 -13.232 1.00 0.00 C ATOM 645 C ARG A 43 -8.122 -3.112 -12.992 1.00 0.00 C ATOM 646 O ARG A 43 -7.429 -2.487 -12.218 1.00 0.00 O ATOM 647 CB ARG A 43 -10.552 -3.882 -13.164 1.00 0.00 C ATOM 648 CG ARG A 43 -10.825 -4.270 -11.704 1.00 0.00 C ATOM 649 CD ARG A 43 -11.939 -5.305 -11.734 1.00 0.00 C ATOM 650 NE ARG A 43 -12.950 -4.934 -10.687 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.244 -5.773 -9.783 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.699 -6.907 -10.147 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.061 -5.417 -8.585 1.00 0.00 N ATOM 0 H ARG A 43 -10.664 -2.284 -15.013 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.823 -1.977 -12.445 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.489 -3.628 -13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.128 -4.732 -13.699 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.929 -4.678 -11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.121 -3.399 -11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.405 -5.334 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.539 -6.300 -11.541 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.395 -4.017 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.816 -7.115 -11.139 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.946 -7.606 -9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.691 -4.489 -8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.283 -6.058 -7.823 1.00 0.00 H new ATOM 667 N SER A 44 -7.669 -4.131 -13.672 1.00 0.00 N ATOM 668 CA SER A 44 -6.229 -4.615 -13.496 1.00 0.00 C ATOM 669 C SER A 44 -5.243 -3.691 -14.289 1.00 0.00 C ATOM 670 O SER A 44 -4.206 -3.325 -13.775 1.00 0.00 O ATOM 671 CB SER A 44 -6.083 -6.088 -14.034 1.00 0.00 C ATOM 672 OG SER A 44 -6.305 -6.066 -15.445 1.00 0.00 O ATOM 0 H SER A 44 -8.219 -4.662 -14.347 1.00 0.00 H new ATOM 0 HA SER A 44 -5.987 -4.583 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.090 -6.479 -13.810 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.802 -6.745 -13.545 1.00 0.00 H new ATOM 0 HG SER A 44 -6.218 -6.974 -15.804 1.00 0.00 H new ATOM 678 N LYS A 45 -5.594 -3.331 -15.508 1.00 0.00 N ATOM 679 CA LYS A 45 -4.787 -2.453 -16.437 1.00 0.00 C ATOM 680 C LYS A 45 -3.826 -1.479 -15.732 1.00 0.00 C ATOM 681 O LYS A 45 -2.635 -1.506 -15.957 1.00 0.00 O ATOM 682 CB LYS A 45 -5.782 -1.688 -17.311 1.00 0.00 C ATOM 683 CG LYS A 45 -5.051 -1.000 -18.496 1.00 0.00 C ATOM 684 CD LYS A 45 -6.053 -0.073 -19.238 1.00 0.00 C ATOM 685 CE LYS A 45 -6.122 1.309 -18.595 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.800 1.955 -18.835 1.00 0.00 N ATOM 0 H LYS A 45 -6.474 -3.634 -15.926 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.132 -3.098 -17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.541 -2.372 -17.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.300 -0.939 -16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.203 -0.421 -18.130 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.654 -1.750 -19.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.754 0.025 -20.282 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.044 -0.528 -19.231 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.927 1.900 -19.031 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.327 1.230 -17.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.926 2.984 -18.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.162 1.745 -18.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.389 1.587 -19.717 1.00 0.00 H new ATOM 700 N TYR A 46 -4.385 -0.634 -14.909 1.00 0.00 N ATOM 701 CA TYR A 46 -3.527 0.348 -14.167 1.00 0.00 C ATOM 702 C TYR A 46 -2.967 -0.164 -12.864 1.00 0.00 C ATOM 703 O TYR A 46 -3.684 -0.780 -12.114 1.00 0.00 O ATOM 704 CB TYR A 46 -4.271 1.651 -13.784 1.00 0.00 C ATOM 705 CG TYR A 46 -3.657 2.921 -14.381 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.284 3.102 -14.326 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.447 3.915 -14.927 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.685 4.233 -14.803 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.852 5.073 -15.420 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.474 5.223 -15.352 1.00 0.00 C ATOM 711 OH TYR A 46 -1.914 6.372 -15.848 1.00 0.00 O ATOM 0 H TYR A 46 -5.385 -0.577 -14.716 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.730 0.527 -14.889 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.308 1.574 -14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.285 1.743 -12.698 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.670 2.326 -13.893 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.519 3.794 -14.971 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.613 4.350 -14.751 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.461 5.852 -15.854 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.937 7.070 -15.161 1.00 0.00 H new ATOM 721 N GLY A 47 -1.710 0.131 -12.670 1.00 0.00 N ATOM 722 CA GLY A 47 -0.891 -0.242 -11.464 1.00 0.00 C ATOM 723 C GLY A 47 -1.713 -1.029 -10.486 1.00 0.00 C ATOM 724 O GLY A 47 -1.392 -2.163 -10.251 1.00 0.00 O ATOM 0 H GLY A 47 -1.171 0.660 -13.356 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.026 -0.828 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.510 0.660 -10.984 1.00 0.00 H new ATOM 728 N TRP A 48 -2.727 -0.389 -9.956 1.00 0.00 N ATOM 729 CA TRP A 48 -3.645 -1.040 -8.983 1.00 0.00 C ATOM 730 C TRP A 48 -2.878 -1.179 -7.711 1.00 0.00 C ATOM 731 O TRP A 48 -1.923 -1.904 -7.568 1.00 0.00 O ATOM 732 CB TRP A 48 -4.151 -2.450 -9.500 1.00 0.00 C ATOM 733 CG TRP A 48 -5.085 -3.072 -8.460 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.473 -3.439 -7.357 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.409 -3.380 -8.380 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.426 -3.959 -6.635 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.618 -3.973 -7.162 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.512 -3.263 -9.191 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.823 -4.438 -6.747 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.764 -3.729 -8.799 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.923 -4.329 -7.565 1.00 0.00 C ATOM 0 H TRP A 48 -2.958 0.582 -10.166 1.00 0.00 H new ATOM 0 HA TRP A 48 -4.542 -0.437 -8.842 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.673 -2.335 -10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.302 -3.109 -9.681 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.427 -3.335 -7.107 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.248 -4.336 -5.704 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.405 -2.797 -10.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.918 -4.894 -5.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.611 -3.621 -9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.886 -4.703 -7.251 1.00 0.00 H new ATOM 752 N THR A 49 -3.297 -0.397 -6.787 1.00 0.00 N ATOM 753 CA THR A 49 -2.629 -0.482 -5.492 1.00 0.00 C ATOM 754 C THR A 49 -3.401 0.063 -4.300 1.00 0.00 C ATOM 755 O THR A 49 -4.045 1.107 -4.339 1.00 0.00 O ATOM 756 CB THR A 49 -1.248 0.241 -5.616 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.512 -0.394 -4.588 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.243 1.692 -5.081 1.00 0.00 C ATOM 0 H THR A 49 -4.054 0.282 -6.867 1.00 0.00 H new ATOM 0 HA THR A 49 -2.530 -1.545 -5.271 1.00 0.00 H new ATOM 0 HB THR A 49 -0.923 0.217 -6.656 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.053 -1.095 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.249 2.122 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.967 2.287 -5.637 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.510 1.691 -4.024 1.00 0.00 H new ATOM 766 N ALA A 50 -3.389 -0.691 -3.246 1.00 0.00 N ATOM 767 CA ALA A 50 -4.133 -0.077 -2.032 1.00 0.00 C ATOM 768 C ALA A 50 -2.904 0.543 -1.309 1.00 0.00 C ATOM 769 O ALA A 50 -1.826 0.101 -1.654 1.00 0.00 O ATOM 770 CB ALA A 50 -4.742 -1.095 -1.036 1.00 0.00 C ATOM 0 H ALA A 50 -2.959 -1.609 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.970 0.548 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.238 -0.560 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.467 -1.722 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.950 -1.721 -0.625 1.00 0.00 H new ATOM 776 N PHE A 51 -2.971 1.479 -0.390 1.00 0.00 N ATOM 777 CA PHE A 51 -1.669 1.971 0.225 1.00 0.00 C ATOM 778 C PHE A 51 -1.638 2.233 1.760 1.00 0.00 C ATOM 779 O PHE A 51 -2.649 2.506 2.386 1.00 0.00 O ATOM 780 CB PHE A 51 -1.303 3.249 -0.577 1.00 0.00 C ATOM 781 CG PHE A 51 -0.019 3.916 -0.065 1.00 0.00 C ATOM 782 CD1 PHE A 51 1.206 3.305 -0.237 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.079 5.142 0.571 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.355 3.920 0.225 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.065 5.756 1.031 1.00 0.00 C ATOM 786 CZ PHE A 51 2.287 5.144 0.857 1.00 0.00 C ATOM 0 H PHE A 51 -3.825 1.915 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.943 1.162 0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.180 2.991 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.127 3.960 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.267 2.347 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.035 5.625 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.312 3.439 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.004 6.714 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.188 5.621 1.214 1.00 0.00 H new ATOM 796 N CYS A 52 -0.445 2.131 2.311 1.00 0.00 N ATOM 797 CA CYS A 52 -0.196 2.352 3.785 1.00 0.00 C ATOM 798 C CYS A 52 1.144 3.093 4.165 1.00 0.00 C ATOM 799 O CYS A 52 2.025 2.476 4.729 1.00 0.00 O ATOM 800 CB CYS A 52 -0.271 0.939 4.462 1.00 0.00 C ATOM 801 SG CYS A 52 -1.751 0.492 5.396 1.00 0.00 S ATOM 0 H CYS A 52 0.396 1.896 1.783 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.958 3.043 4.147 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.138 0.192 3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.582 0.851 5.135 1.00 0.00 H new ATOM 806 N GLY A 53 1.321 4.362 3.879 1.00 0.00 N ATOM 807 CA GLY A 53 2.630 5.041 4.263 1.00 0.00 C ATOM 808 C GLY A 53 2.552 6.273 5.186 1.00 0.00 C ATOM 809 O GLY A 53 1.535 6.939 5.240 1.00 0.00 O ATOM 0 H GLY A 53 0.640 4.957 3.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.264 4.298 4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.135 5.341 3.345 1.00 0.00 H new ATOM 813 N PRO A 54 3.640 6.550 5.889 1.00 0.00 N ATOM 814 CA PRO A 54 3.747 7.750 6.780 1.00 0.00 C ATOM 815 C PRO A 54 3.477 9.088 6.059 1.00 0.00 C ATOM 816 O PRO A 54 2.456 9.716 6.260 1.00 0.00 O ATOM 817 CB PRO A 54 5.177 7.622 7.370 1.00 0.00 C ATOM 818 CG PRO A 54 5.937 6.830 6.271 1.00 0.00 C ATOM 819 CD PRO A 54 4.913 5.751 5.902 1.00 0.00 C ATOM 0 HA PRO A 54 2.980 7.769 7.554 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.628 8.598 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.175 7.091 8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.195 7.458 5.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.867 6.401 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.124 5.297 4.934 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.885 4.943 6.633 1.00 0.00 H new ATOM 827 N ALA A 55 4.388 9.491 5.215 1.00 0.00 N ATOM 828 CA ALA A 55 4.231 10.774 4.464 1.00 0.00 C ATOM 829 C ALA A 55 3.327 10.533 3.230 1.00 0.00 C ATOM 830 O ALA A 55 3.698 10.783 2.095 1.00 0.00 O ATOM 831 CB ALA A 55 5.676 11.218 4.114 1.00 0.00 C ATOM 0 H ALA A 55 5.247 8.980 5.010 1.00 0.00 H new ATOM 0 HA ALA A 55 3.739 11.565 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.644 12.156 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.246 11.358 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.154 10.452 3.503 1.00 0.00 H new ATOM 837 N GLY A 56 2.161 10.023 3.555 1.00 0.00 N ATOM 838 CA GLY A 56 1.087 9.694 2.552 1.00 0.00 C ATOM 839 C GLY A 56 -0.332 10.187 2.897 1.00 0.00 C ATOM 840 O GLY A 56 -1.191 9.355 3.160 1.00 0.00 O ATOM 0 H GLY A 56 1.897 9.811 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.374 10.118 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.054 8.612 2.426 1.00 0.00 H new ATOM 844 N PRO A 57 -0.588 11.480 2.865 1.00 0.00 N ATOM 845 CA PRO A 57 -1.930 11.994 3.239 1.00 0.00 C ATOM 846 C PRO A 57 -3.005 11.535 2.216 1.00 0.00 C ATOM 847 O PRO A 57 -3.122 12.088 1.146 1.00 0.00 O ATOM 848 CB PRO A 57 -1.742 13.547 3.312 1.00 0.00 C ATOM 849 CG PRO A 57 -0.248 13.854 2.971 1.00 0.00 C ATOM 850 CD PRO A 57 0.389 12.535 2.481 1.00 0.00 C ATOM 0 HA PRO A 57 -2.295 11.608 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.407 14.048 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.993 13.918 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.179 14.623 2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.277 14.232 3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.553 12.550 1.403 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.359 12.366 2.948 1.00 0.00 H new ATOM 858 N ARG A 58 -3.759 10.518 2.546 1.00 0.00 N ATOM 859 CA ARG A 58 -4.818 10.012 1.600 1.00 0.00 C ATOM 860 C ARG A 58 -6.074 9.452 2.322 1.00 0.00 C ATOM 861 O ARG A 58 -6.136 9.463 3.536 1.00 0.00 O ATOM 862 CB ARG A 58 -4.060 8.981 0.703 1.00 0.00 C ATOM 863 CG ARG A 58 -4.616 7.510 0.722 1.00 0.00 C ATOM 864 CD ARG A 58 -4.538 6.793 2.113 1.00 0.00 C ATOM 865 NE ARG A 58 -3.170 6.187 2.305 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.715 5.968 3.483 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.129 6.897 4.130 1.00 0.00 N ATOM 868 NH2 ARG A 58 -2.889 4.785 3.922 1.00 0.00 N ATOM 0 H ARG A 58 -3.693 10.011 3.429 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.258 10.807 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.078 9.342 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.016 8.957 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.656 7.526 0.396 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.062 6.918 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.744 7.506 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.301 6.017 2.174 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.603 5.950 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.020 7.820 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.769 6.717 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.362 4.091 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.555 4.532 4.852 1.00 0.00 H new ATOM 882 N GLY A 59 -7.035 8.964 1.570 1.00 0.00 N ATOM 883 CA GLY A 59 -8.307 8.389 2.169 1.00 0.00 C ATOM 884 C GLY A 59 -9.583 8.653 1.350 1.00 0.00 C ATOM 885 O GLY A 59 -10.034 7.767 0.660 1.00 0.00 O ATOM 0 H GLY A 59 -7.000 8.935 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.183 7.312 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.441 8.804 3.168 1.00 0.00 H new ATOM 889 N GLN A 60 -10.132 9.845 1.444 1.00 0.00 N ATOM 890 CA GLN A 60 -11.384 10.168 0.658 1.00 0.00 C ATOM 891 C GLN A 60 -10.966 10.745 -0.728 1.00 0.00 C ATOM 892 O GLN A 60 -10.990 10.082 -1.756 1.00 0.00 O ATOM 893 CB GLN A 60 -12.237 11.209 1.458 1.00 0.00 C ATOM 894 CG GLN A 60 -12.632 10.639 2.863 1.00 0.00 C ATOM 895 CD GLN A 60 -13.401 11.701 3.660 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.988 12.829 3.789 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.527 11.426 4.231 1.00 0.00 N ATOM 0 H GLN A 60 -9.776 10.605 2.023 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.985 9.272 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.671 12.133 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.137 11.459 0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.246 9.746 2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.737 10.340 3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.922 10.489 4.154 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.021 12.146 4.758 1.00 0.00 H new ATOM 906 N ALA A 61 -10.556 11.992 -0.709 1.00 0.00 N ATOM 907 CA ALA A 61 -10.105 12.735 -1.943 1.00 0.00 C ATOM 908 C ALA A 61 -8.937 12.071 -2.738 1.00 0.00 C ATOM 909 O ALA A 61 -8.363 12.670 -3.629 1.00 0.00 O ATOM 910 CB ALA A 61 -9.715 14.163 -1.468 1.00 0.00 C ATOM 0 H ALA A 61 -10.512 12.551 0.143 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.925 12.734 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.379 14.751 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.581 14.645 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.911 14.096 -0.735 1.00 0.00 H new ATOM 916 N ALA A 62 -8.625 10.850 -2.405 1.00 0.00 N ATOM 917 CA ALA A 62 -7.532 10.096 -3.081 1.00 0.00 C ATOM 918 C ALA A 62 -8.103 8.922 -3.925 1.00 0.00 C ATOM 919 O ALA A 62 -7.403 8.360 -4.744 1.00 0.00 O ATOM 920 CB ALA A 62 -6.592 9.610 -1.966 1.00 0.00 C ATOM 0 H ALA A 62 -9.098 10.327 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.989 10.724 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.767 9.048 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.198 10.469 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.144 8.968 -1.279 1.00 0.00 H new ATOM 926 N CYS A 63 -9.352 8.605 -3.687 1.00 0.00 N ATOM 927 CA CYS A 63 -10.079 7.492 -4.407 1.00 0.00 C ATOM 928 C CYS A 63 -9.720 7.336 -5.909 1.00 0.00 C ATOM 929 O CYS A 63 -9.767 6.254 -6.454 1.00 0.00 O ATOM 930 CB CYS A 63 -11.575 7.768 -4.193 1.00 0.00 C ATOM 931 SG CYS A 63 -12.774 6.469 -4.591 1.00 0.00 S ATOM 0 H CYS A 63 -9.927 9.088 -2.996 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.771 6.532 -3.992 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.714 8.034 -3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.835 8.647 -4.782 1.00 0.00 H new ATOM 936 N GLY A 64 -9.379 8.436 -6.536 1.00 0.00 N ATOM 937 CA GLY A 64 -8.999 8.459 -7.991 1.00 0.00 C ATOM 938 C GLY A 64 -7.560 8.954 -8.182 1.00 0.00 C ATOM 939 O GLY A 64 -7.269 9.713 -9.084 1.00 0.00 O ATOM 0 H GLY A 64 -9.347 9.351 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.101 7.459 -8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.684 9.106 -8.538 1.00 0.00 H new ATOM 943 N LYS A 65 -6.686 8.518 -7.322 1.00 0.00 N ATOM 944 CA LYS A 65 -5.242 8.919 -7.393 1.00 0.00 C ATOM 945 C LYS A 65 -4.272 7.732 -7.594 1.00 0.00 C ATOM 946 O LYS A 65 -4.559 6.575 -7.352 1.00 0.00 O ATOM 947 CB LYS A 65 -4.843 9.666 -6.069 1.00 0.00 C ATOM 948 CG LYS A 65 -5.474 11.077 -5.925 1.00 0.00 C ATOM 949 CD LYS A 65 -5.021 11.938 -7.140 1.00 0.00 C ATOM 950 CE LYS A 65 -4.988 13.431 -6.833 1.00 0.00 C ATOM 951 NZ LYS A 65 -3.754 13.701 -6.022 1.00 0.00 N ATOM 0 H LYS A 65 -6.910 7.886 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.149 9.563 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.142 9.057 -5.216 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.758 9.759 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.561 11.006 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.158 11.541 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.029 11.616 -7.457 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.696 11.760 -7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.974 14.011 -7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.881 13.728 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.620 14.728 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.858 13.275 -5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.928 13.288 -6.499 1.00 0.00 H new ATOM 965 N CYS A 66 -3.107 8.101 -8.045 1.00 0.00 N ATOM 966 CA CYS A 66 -2.025 7.128 -8.298 1.00 0.00 C ATOM 967 C CYS A 66 -0.763 7.520 -7.488 1.00 0.00 C ATOM 968 O CYS A 66 -0.540 8.624 -7.032 1.00 0.00 O ATOM 969 CB CYS A 66 -1.779 7.104 -9.820 1.00 0.00 C ATOM 970 SG CYS A 66 -3.027 6.179 -10.756 1.00 0.00 S ATOM 0 H CYS A 66 -2.859 9.068 -8.253 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.295 6.124 -7.970 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.750 8.129 -10.189 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.799 6.668 -10.012 1.00 0.00 H new ATOM 975 N LEU A 67 0.066 6.550 -7.317 1.00 0.00 N ATOM 976 CA LEU A 67 1.352 6.695 -6.566 1.00 0.00 C ATOM 977 C LEU A 67 2.436 6.426 -7.623 1.00 0.00 C ATOM 978 O LEU A 67 2.454 5.361 -8.200 1.00 0.00 O ATOM 979 CB LEU A 67 1.302 5.635 -5.419 1.00 0.00 C ATOM 980 CG LEU A 67 1.873 6.166 -4.090 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.765 5.019 -3.051 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.351 6.561 -4.265 1.00 0.00 C ATOM 0 H LEU A 67 -0.092 5.610 -7.681 1.00 0.00 H new ATOM 0 HA LEU A 67 1.542 7.663 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.270 5.321 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.863 4.751 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 67 1.320 7.047 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.161 5.357 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.720 4.734 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.339 4.159 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.742 6.935 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.926 5.689 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.432 7.339 -5.024 1.00 0.00 H new ATOM 994 N ARG A 68 3.319 7.343 -7.896 1.00 0.00 N ATOM 995 CA ARG A 68 4.375 7.091 -8.923 1.00 0.00 C ATOM 996 C ARG A 68 5.521 6.486 -8.113 1.00 0.00 C ATOM 997 O ARG A 68 5.943 7.093 -7.143 1.00 0.00 O ATOM 998 CB ARG A 68 4.744 8.434 -9.556 1.00 0.00 C ATOM 999 CG ARG A 68 5.955 8.250 -10.509 1.00 0.00 C ATOM 1000 CD ARG A 68 6.244 9.605 -11.147 1.00 0.00 C ATOM 1001 NE ARG A 68 5.055 9.910 -12.010 1.00 0.00 N ATOM 1002 CZ ARG A 68 5.183 10.236 -13.236 1.00 0.00 C ATOM 1003 NH1 ARG A 68 5.664 9.411 -14.074 1.00 0.00 N ATOM 1004 NH2 ARG A 68 4.804 11.403 -13.556 1.00 0.00 N ATOM 0 H ARG A 68 3.358 8.261 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 68 4.086 6.430 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.893 8.833 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.988 9.158 -8.779 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.825 7.891 -9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.732 7.506 -11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.383 10.374 -10.387 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.159 9.572 -11.739 1.00 0.00 H new ATOM 0 HE ARG A 68 4.120 9.855 -11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.951 8.481 -13.767 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.764 9.678 -15.053 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.420 12.027 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.883 11.718 -14.523 1.00 0.00 H new ATOM 1018 N VAL A 69 5.979 5.333 -8.523 1.00 0.00 N ATOM 1019 CA VAL A 69 7.091 4.674 -7.776 1.00 0.00 C ATOM 1020 C VAL A 69 8.303 4.399 -8.658 1.00 0.00 C ATOM 1021 O VAL A 69 8.213 3.912 -9.771 1.00 0.00 O ATOM 1022 CB VAL A 69 6.575 3.350 -7.180 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.700 2.718 -6.323 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.342 3.610 -6.299 1.00 0.00 C ATOM 0 H VAL A 69 5.635 4.822 -9.336 1.00 0.00 H new ATOM 0 HA VAL A 69 7.415 5.355 -6.988 1.00 0.00 H new ATOM 0 HB VAL A 69 6.292 2.673 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.348 1.780 -5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.571 2.527 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.974 3.403 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.986 2.667 -5.883 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.611 4.286 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.553 4.062 -6.901 1.00 0.00 H new ATOM 1034 N THR A 70 9.423 4.741 -8.082 1.00 0.00 N ATOM 1035 CA THR A 70 10.747 4.562 -8.760 1.00 0.00 C ATOM 1036 C THR A 70 11.787 3.864 -7.903 1.00 0.00 C ATOM 1037 O THR A 70 11.827 4.017 -6.689 1.00 0.00 O ATOM 1038 CB THR A 70 11.259 5.938 -9.169 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.472 6.206 -10.308 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.673 5.928 -9.744 1.00 0.00 C ATOM 0 H THR A 70 9.481 5.147 -7.148 1.00 0.00 H new ATOM 0 HA THR A 70 10.589 3.914 -9.622 1.00 0.00 H new ATOM 0 HB THR A 70 11.229 6.611 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.711 7.084 -10.671 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.965 6.944 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.366 5.535 -9.000 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.700 5.298 -10.633 1.00 0.00 H new ATOM 1048 N ASN A 71 12.594 3.124 -8.613 1.00 0.00 N ATOM 1049 CA ASN A 71 13.705 2.332 -8.028 1.00 0.00 C ATOM 1050 C ASN A 71 15.078 2.921 -8.501 1.00 0.00 C ATOM 1051 O ASN A 71 15.584 2.515 -9.531 1.00 0.00 O ATOM 1052 CB ASN A 71 13.479 0.894 -8.520 1.00 0.00 C ATOM 1053 CG ASN A 71 14.597 -0.010 -8.024 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.718 0.407 -7.830 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.387 -1.262 -7.800 1.00 0.00 N ATOM 0 H ASN A 71 12.520 3.035 -9.626 1.00 0.00 H new ATOM 0 HA ASN A 71 13.726 2.360 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.517 0.526 -8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.442 0.876 -9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.149 -1.856 -7.473 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.459 -1.658 -7.949 1.00 0.00 H new ATOM 1062 N PRO A 72 15.660 3.845 -7.759 1.00 0.00 N ATOM 1063 CA PRO A 72 16.931 4.542 -8.157 1.00 0.00 C ATOM 1064 C PRO A 72 18.146 3.608 -8.215 1.00 0.00 C ATOM 1065 O PRO A 72 19.217 4.006 -8.627 1.00 0.00 O ATOM 1066 CB PRO A 72 17.134 5.651 -7.120 1.00 0.00 C ATOM 1067 CG PRO A 72 15.762 5.790 -6.427 1.00 0.00 C ATOM 1068 CD PRO A 72 15.176 4.357 -6.442 1.00 0.00 C ATOM 0 HA PRO A 72 16.842 4.933 -9.171 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.914 5.388 -6.406 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.436 6.586 -7.593 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.867 6.166 -5.409 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.117 6.489 -6.960 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.543 3.756 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.088 4.359 -6.379 1.00 0.00 H new ATOM 1076 N ALA A 73 17.955 2.386 -7.797 1.00 0.00 N ATOM 1077 CA ALA A 73 19.075 1.403 -7.812 1.00 0.00 C ATOM 1078 C ALA A 73 19.186 0.852 -9.248 1.00 0.00 C ATOM 1079 O ALA A 73 20.230 0.407 -9.678 1.00 0.00 O ATOM 1080 CB ALA A 73 18.722 0.318 -6.799 1.00 0.00 C ATOM 0 H ALA A 73 17.068 2.025 -7.445 1.00 0.00 H new ATOM 0 HA ALA A 73 20.038 1.835 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.516 -0.428 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.612 0.765 -5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.785 -0.158 -7.088 1.00 0.00 H new ATOM 1086 N THR A 74 18.078 0.908 -9.936 1.00 0.00 N ATOM 1087 CA THR A 74 18.007 0.414 -11.364 1.00 0.00 C ATOM 1088 C THR A 74 17.657 1.507 -12.384 1.00 0.00 C ATOM 1089 O THR A 74 18.248 1.601 -13.440 1.00 0.00 O ATOM 1090 CB THR A 74 16.945 -0.686 -11.474 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.722 0.017 -11.293 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.997 -1.626 -10.268 1.00 0.00 C ATOM 0 H THR A 74 17.200 1.279 -9.573 1.00 0.00 H new ATOM 0 HA THR A 74 19.006 0.047 -11.602 1.00 0.00 H new ATOM 0 HB THR A 74 17.070 -1.247 -12.400 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.018 -0.613 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.233 -2.396 -10.374 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.979 -2.095 -10.214 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.816 -1.058 -9.356 1.00 0.00 H new ATOM 1100 N GLY A 75 16.684 2.300 -12.026 1.00 0.00 N ATOM 1101 CA GLY A 75 16.191 3.423 -12.887 1.00 0.00 C ATOM 1102 C GLY A 75 14.772 3.089 -13.350 1.00 0.00 C ATOM 1103 O GLY A 75 14.127 3.880 -14.002 1.00 0.00 O ATOM 0 H GLY A 75 16.190 2.214 -11.138 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.197 4.359 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.848 3.559 -13.746 1.00 0.00 H new ATOM 1107 N ALA A 76 14.324 1.914 -12.988 1.00 0.00 N ATOM 1108 CA ALA A 76 12.955 1.442 -13.371 1.00 0.00 C ATOM 1109 C ALA A 76 11.886 2.107 -12.485 1.00 0.00 C ATOM 1110 O ALA A 76 12.120 2.428 -11.331 1.00 0.00 O ATOM 1111 CB ALA A 76 12.903 -0.101 -13.199 1.00 0.00 C ATOM 0 H ALA A 76 14.859 1.247 -12.432 1.00 0.00 H new ATOM 0 HA ALA A 76 12.750 1.713 -14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.913 -0.465 -13.473 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.651 -0.564 -13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.109 -0.358 -12.160 1.00 0.00 H new ATOM 1117 N GLN A 77 10.742 2.292 -13.082 1.00 0.00 N ATOM 1118 CA GLN A 77 9.588 2.922 -12.371 1.00 0.00 C ATOM 1119 C GLN A 77 8.226 2.440 -12.917 1.00 0.00 C ATOM 1120 O GLN A 77 8.118 1.993 -14.040 1.00 0.00 O ATOM 1121 CB GLN A 77 9.745 4.444 -12.523 1.00 0.00 C ATOM 1122 CG GLN A 77 9.821 4.867 -14.011 1.00 0.00 C ATOM 1123 CD GLN A 77 10.060 6.373 -14.097 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.302 7.191 -13.623 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.117 6.798 -14.700 1.00 0.00 N ATOM 0 H GLN A 77 10.552 2.030 -14.049 1.00 0.00 H new ATOM 0 HA GLN A 77 9.597 2.632 -11.320 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.904 4.946 -12.045 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.647 4.770 -12.006 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.626 4.330 -14.513 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.895 4.604 -14.523 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.773 6.133 -15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.297 7.800 -14.768 1.00 0.00 H new ATOM 1134 N ILE A 78 7.236 2.560 -12.075 1.00 0.00 N ATOM 1135 CA ILE A 78 5.820 2.156 -12.388 1.00 0.00 C ATOM 1136 C ILE A 78 4.764 3.184 -11.828 1.00 0.00 C ATOM 1137 O ILE A 78 5.108 3.975 -10.962 1.00 0.00 O ATOM 1138 CB ILE A 78 5.698 0.760 -11.767 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.642 -0.118 -12.474 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.348 0.834 -10.269 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.282 -0.881 -13.662 1.00 0.00 C ATOM 0 H ILE A 78 7.351 2.940 -11.135 1.00 0.00 H new ATOM 0 HA ILE A 78 5.609 2.145 -13.457 1.00 0.00 H new ATOM 0 HB ILE A 78 6.678 0.300 -11.896 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.216 -0.828 -11.765 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.823 0.505 -12.833 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.270 -0.175 -9.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.130 1.379 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.396 1.351 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.525 -1.495 -14.150 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.686 -0.166 -14.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.085 -1.519 -13.294 1.00 0.00 H new ATOM 1153 N THR A 79 3.531 3.176 -12.309 1.00 0.00 N ATOM 1154 CA THR A 79 2.471 4.134 -11.784 1.00 0.00 C ATOM 1155 C THR A 79 1.524 3.193 -11.015 1.00 0.00 C ATOM 1156 O THR A 79 0.874 2.391 -11.652 1.00 0.00 O ATOM 1157 CB THR A 79 1.664 4.808 -12.934 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.572 5.647 -13.631 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.676 5.839 -12.398 1.00 0.00 C ATOM 0 H THR A 79 3.208 2.547 -13.044 1.00 0.00 H new ATOM 0 HA THR A 79 2.908 4.943 -11.199 1.00 0.00 H new ATOM 0 HB THR A 79 1.179 4.015 -13.503 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.105 6.093 -14.369 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.132 6.288 -13.229 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.028 5.352 -11.724 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.218 6.615 -11.858 1.00 0.00 H new ATOM 1167 N ALA A 80 1.439 3.290 -9.714 1.00 0.00 N ATOM 1168 CA ALA A 80 0.540 2.381 -8.920 1.00 0.00 C ATOM 1169 C ALA A 80 -0.819 3.081 -8.716 1.00 0.00 C ATOM 1170 O ALA A 80 -0.850 4.290 -8.593 1.00 0.00 O ATOM 1171 CB ALA A 80 1.322 2.101 -7.626 1.00 0.00 C ATOM 0 H ALA A 80 1.958 3.967 -9.155 1.00 0.00 H new ATOM 0 HA ALA A 80 0.297 1.434 -9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.738 1.442 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.270 1.623 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.513 3.040 -7.106 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.903 2.347 -8.662 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.227 3.035 -8.487 1.00 0.00 C ATOM 1179 C ARG A 81 -3.726 3.081 -7.039 1.00 0.00 C ATOM 1180 O ARG A 81 -4.157 2.050 -6.572 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.212 2.282 -9.370 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.485 3.163 -9.548 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.466 2.532 -10.561 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.792 1.151 -10.068 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.886 0.163 -10.860 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.894 -0.556 -11.156 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -8.023 -0.069 -11.339 1.00 0.00 N ATOM 0 H ARG A 81 -1.935 1.330 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.123 4.083 -8.769 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.763 2.064 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.473 1.325 -8.917 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.982 3.287 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.197 4.158 -9.888 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.371 3.133 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.018 2.490 -11.554 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.942 1.003 -9.070 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.978 -0.352 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.007 -1.342 -11.796 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.814 0.524 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.156 -0.850 -11.981 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.654 4.239 -6.423 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.097 4.467 -5.006 1.00 0.00 C ATOM 1203 C ILE A 82 -5.624 4.308 -5.034 1.00 0.00 C ATOM 1204 O ILE A 82 -6.389 5.253 -5.021 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.732 5.929 -4.521 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.242 6.250 -4.787 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.988 5.976 -2.982 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.924 7.712 -4.434 1.00 0.00 C ATOM 0 H ILE A 82 -3.286 5.079 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.609 3.771 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.336 6.658 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.612 5.584 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.008 6.066 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.748 6.970 -2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.036 5.754 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.359 5.237 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.871 7.913 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.539 8.375 -5.042 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.137 7.886 -3.379 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.028 3.072 -5.073 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.486 2.721 -5.113 1.00 0.00 C ATOM 1222 C VAL A 83 -8.037 2.505 -3.697 1.00 0.00 C ATOM 1223 O VAL A 83 -9.131 2.923 -3.361 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.643 1.423 -6.009 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.794 0.217 -5.506 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.108 0.975 -6.035 1.00 0.00 C ATOM 0 H VAL A 83 -5.401 2.268 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.064 3.538 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.288 1.705 -7.000 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.949 -0.637 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.739 0.489 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.100 -0.046 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.205 0.083 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.438 0.751 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.725 1.772 -6.450 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.230 1.851 -2.908 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.681 1.581 -1.495 1.00 0.00 C ATOM 1238 C ASP A 84 -6.628 1.868 -0.396 1.00 0.00 C ATOM 1239 O ASP A 84 -5.520 2.283 -0.678 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.141 0.117 -1.557 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.753 -0.383 -0.261 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.438 0.415 0.359 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.489 -1.540 0.001 1.00 0.00 O ATOM 0 H ASP A 84 -6.307 1.498 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.470 2.265 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.871 0.008 -2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.289 -0.512 -1.813 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.018 1.648 0.832 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.165 1.839 2.027 1.00 0.00 C ATOM 1250 C GLN A 85 -6.151 0.491 2.792 1.00 0.00 C ATOM 1251 O GLN A 85 -7.122 -0.235 2.902 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.750 2.950 2.900 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.880 3.021 4.200 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.174 4.282 4.993 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.913 5.395 4.591 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.728 4.164 6.152 1.00 0.00 N ATOM 0 H GLN A 85 -7.958 1.322 1.059 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.151 2.130 1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.733 3.904 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.791 2.740 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.076 2.146 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.823 2.994 3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.959 3.239 6.515 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.935 4.996 6.705 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.987 0.237 3.322 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.746 -1.016 4.095 1.00 0.00 C ATOM 1267 C CYS A 86 -4.877 -0.833 5.622 1.00 0.00 C ATOM 1268 O CYS A 86 -5.029 0.262 6.138 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.338 -1.492 3.707 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.076 -1.465 5.006 1.00 0.00 S ATOM 0 H CYS A 86 -4.178 0.855 3.251 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.509 -1.754 3.846 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.416 -2.512 3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.987 -0.874 2.880 1.00 0.00 H new ATOM 1275 N ALA A 87 -4.798 -1.953 6.291 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.903 -1.985 7.785 1.00 0.00 C ATOM 1277 C ALA A 87 -3.544 -2.360 8.394 1.00 0.00 C ATOM 1278 O ALA A 87 -2.951 -1.580 9.111 1.00 0.00 O ATOM 1279 CB ALA A 87 -5.989 -3.016 8.155 1.00 0.00 C ATOM 0 H ALA A 87 -4.662 -2.867 5.858 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.178 -1.007 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.091 -3.064 9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.940 -2.717 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.705 -3.997 7.774 1.00 0.00 H new ATOM 1285 N ASN A 88 -3.101 -3.548 8.085 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.783 -4.031 8.613 1.00 0.00 C ATOM 1287 C ASN A 88 -0.957 -4.670 7.479 1.00 0.00 C ATOM 1288 O ASN A 88 -0.568 -5.817 7.518 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.049 -5.049 9.779 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.650 -6.395 9.355 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -2.681 -7.329 10.122 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -3.151 -6.601 8.179 1.00 0.00 N ATOM 0 H ASN A 88 -3.594 -4.211 7.487 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.204 -3.194 9.003 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.108 -5.238 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.720 -4.582 10.500 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.543 -7.513 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.154 -5.851 7.487 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.718 -3.886 6.471 1.00 0.00 N ATOM 1300 CA GLY A 89 0.079 -4.372 5.294 1.00 0.00 C ATOM 1301 C GLY A 89 1.480 -3.783 5.411 1.00 0.00 C ATOM 1302 O GLY A 89 1.863 -3.284 6.450 1.00 0.00 O ATOM 0 H GLY A 89 -1.039 -2.920 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.121 -5.461 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.390 -4.062 4.360 1.00 0.00 H new ATOM 1306 N GLY A 90 2.230 -3.832 4.357 1.00 0.00 N ATOM 1307 CA GLY A 90 3.617 -3.265 4.434 1.00 0.00 C ATOM 1308 C GLY A 90 3.939 -2.306 3.310 1.00 0.00 C ATOM 1309 O GLY A 90 5.106 -2.006 3.175 1.00 0.00 O ATOM 0 H GLY A 90 1.961 -4.229 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.738 -2.750 5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.337 -4.083 4.420 1.00 0.00 H new ATOM 1313 N LEU A 91 2.900 -1.916 2.606 1.00 0.00 N ATOM 1314 CA LEU A 91 2.984 -0.957 1.444 1.00 0.00 C ATOM 1315 C LEU A 91 1.762 -0.732 0.571 1.00 0.00 C ATOM 1316 O LEU A 91 1.291 0.372 0.378 1.00 0.00 O ATOM 1317 CB LEU A 91 4.208 -1.350 0.488 1.00 0.00 C ATOM 1318 CG LEU A 91 5.000 -0.099 -0.113 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.110 0.947 -0.790 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.859 0.634 0.921 1.00 0.00 C ATOM 0 H LEU A 91 1.951 -2.238 2.797 1.00 0.00 H new ATOM 0 HA LEU A 91 3.109 -0.007 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.906 -1.972 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.831 -1.956 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 91 5.636 -0.566 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.729 1.760 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.571 0.485 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.396 1.341 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.368 1.471 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.223 1.006 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.599 -0.053 1.332 1.00 0.00 H new ATOM 1332 N ASP A 92 1.310 -1.836 0.148 1.00 0.00 N ATOM 1333 CA ASP A 92 0.101 -1.925 -0.784 1.00 0.00 C ATOM 1334 C ASP A 92 -0.716 -3.224 -1.074 1.00 0.00 C ATOM 1335 O ASP A 92 -0.652 -4.259 -0.449 1.00 0.00 O ATOM 1336 CB ASP A 92 0.670 -1.354 -2.090 1.00 0.00 C ATOM 1337 CG ASP A 92 2.017 -2.029 -2.377 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.162 -3.208 -2.088 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.855 -1.310 -2.887 1.00 0.00 O ATOM 0 H ASP A 92 1.713 -2.741 0.393 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.702 -1.420 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.023 -1.529 -2.913 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.799 -0.275 -2.006 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.566 -3.149 -2.066 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.411 -4.319 -2.510 1.00 0.00 C ATOM 1346 C LEU A 93 -1.857 -4.385 -3.941 1.00 0.00 C ATOM 1347 O LEU A 93 -2.420 -3.828 -4.858 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.905 -3.895 -2.329 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.039 -4.160 -3.378 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.100 -2.848 -4.228 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.799 -5.417 -4.276 1.00 0.00 C ATOM 0 H LEU A 93 -1.720 -2.300 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.377 -5.285 -2.007 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.239 -4.358 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.894 -2.818 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.979 -4.388 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.872 -2.945 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.336 -2.005 -3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.135 -2.679 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.629 -5.529 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.870 -5.294 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.730 -6.305 -3.648 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.687 -4.990 -3.957 1.00 0.00 N ATOM 1364 CA ASP A 94 0.208 -5.276 -5.102 1.00 0.00 C ATOM 1365 C ASP A 94 0.010 -6.622 -5.818 1.00 0.00 C ATOM 1366 O ASP A 94 -0.876 -6.885 -6.597 1.00 0.00 O ATOM 1367 CB ASP A 94 1.663 -5.013 -4.525 1.00 0.00 C ATOM 1368 CG ASP A 94 2.195 -3.630 -4.976 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.445 -2.651 -5.030 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.384 -3.651 -5.264 1.00 0.00 O ATOM 0 H ASP A 94 -0.281 -5.336 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.023 -4.626 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.641 -5.061 -3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.340 -5.796 -4.865 1.00 0.00 H new ATOM 1375 N TRP A 95 0.964 -7.441 -5.424 1.00 0.00 N ATOM 1376 CA TRP A 95 1.276 -8.857 -5.789 1.00 0.00 C ATOM 1377 C TRP A 95 1.893 -8.879 -7.191 1.00 0.00 C ATOM 1378 O TRP A 95 2.797 -9.661 -7.432 1.00 0.00 O ATOM 1379 CB TRP A 95 0.054 -9.794 -5.825 1.00 0.00 C ATOM 1380 CG TRP A 95 0.748 -11.159 -6.131 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.512 -11.891 -5.262 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.777 -11.773 -7.332 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.951 -12.895 -6.000 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.562 -12.901 -7.258 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.192 -11.428 -8.528 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.774 -13.679 -8.367 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.399 -12.204 -9.647 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.194 -13.327 -9.561 1.00 0.00 C ATOM 0 H TRP A 95 1.647 -7.105 -4.745 1.00 0.00 H new ATOM 0 HA TRP A 95 1.947 -9.220 -5.011 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.486 -9.807 -4.878 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.662 -9.511 -6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.709 -11.694 -4.219 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.555 -13.622 -5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.430 -10.548 -8.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.392 -14.562 -8.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -0.059 -11.934 -10.587 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.362 -13.934 -10.438 1.00 0.00 H new ATOM 1399 N ASP A 96 1.371 -8.060 -8.057 1.00 0.00 N ATOM 1400 CA ASP A 96 1.931 -8.003 -9.461 1.00 0.00 C ATOM 1401 C ASP A 96 2.155 -6.573 -9.979 1.00 0.00 C ATOM 1402 O ASP A 96 2.587 -6.356 -11.101 1.00 0.00 O ATOM 1403 CB ASP A 96 0.961 -8.812 -10.408 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.539 -8.537 -10.279 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -0.927 -7.457 -9.859 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.218 -9.488 -10.645 1.00 0.00 O ATOM 0 H ASP A 96 0.591 -7.430 -7.871 1.00 0.00 H new ATOM 0 HA ASP A 96 2.924 -8.453 -9.451 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.253 -8.612 -11.439 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.125 -9.875 -10.230 1.00 0.00 H new ATOM 1411 N THR A 97 1.872 -5.622 -9.147 1.00 0.00 N ATOM 1412 CA THR A 97 2.019 -4.176 -9.497 1.00 0.00 C ATOM 1413 C THR A 97 3.392 -3.504 -9.204 1.00 0.00 C ATOM 1414 O THR A 97 4.175 -3.361 -10.120 1.00 0.00 O ATOM 1415 CB THR A 97 0.871 -3.481 -8.760 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.251 -3.624 -7.416 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.417 -4.353 -8.793 1.00 0.00 C ATOM 0 H THR A 97 1.531 -5.786 -8.200 1.00 0.00 H new ATOM 0 HA THR A 97 1.978 -4.078 -10.582 1.00 0.00 H new ATOM 0 HB THR A 97 0.699 -2.484 -9.166 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.961 -2.837 -6.909 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.219 -3.838 -8.263 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.716 -4.522 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.220 -5.311 -8.311 1.00 0.00 H new ATOM 1425 N VAL A 98 3.700 -3.113 -7.992 1.00 0.00 N ATOM 1426 CA VAL A 98 5.026 -2.456 -7.740 1.00 0.00 C ATOM 1427 C VAL A 98 6.178 -3.408 -7.372 1.00 0.00 C ATOM 1428 O VAL A 98 7.102 -3.601 -8.152 1.00 0.00 O ATOM 1429 CB VAL A 98 4.882 -1.390 -6.597 1.00 0.00 C ATOM 1430 CG1 VAL A 98 6.157 -0.502 -6.522 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.642 -0.520 -6.795 1.00 0.00 C ATOM 0 H VAL A 98 3.101 -3.217 -7.173 1.00 0.00 H new ATOM 0 HA VAL A 98 5.297 -2.006 -8.695 1.00 0.00 H new ATOM 0 HB VAL A 98 4.766 -1.926 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.042 0.233 -5.725 1.00 0.00 H new ATOM 0 HG12 VAL A 98 7.025 -1.128 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.298 0.013 -7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.574 0.207 -5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.714 0.004 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.752 -1.149 -6.793 1.00 0.00 H new ATOM 1441 N PHE A 99 6.074 -4.007 -6.207 1.00 0.00 N ATOM 1442 CA PHE A 99 7.173 -4.931 -5.760 1.00 0.00 C ATOM 1443 C PHE A 99 7.512 -5.933 -6.859 1.00 0.00 C ATOM 1444 O PHE A 99 8.597 -5.880 -7.388 1.00 0.00 O ATOM 1445 CB PHE A 99 6.748 -5.683 -4.468 1.00 0.00 C ATOM 1446 CG PHE A 99 8.063 -5.915 -3.693 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.652 -4.850 -3.024 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.686 -7.150 -3.668 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.849 -5.012 -2.338 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.873 -7.308 -2.989 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.449 -6.246 -2.330 1.00 0.00 C ATOM 0 H PHE A 99 5.295 -3.901 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 99 8.060 -4.334 -5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.043 -5.094 -3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.256 -6.627 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.173 -3.882 -3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.241 -7.990 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.300 -4.179 -1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.356 -8.274 -2.973 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.381 -6.385 -1.802 1.00 0.00 H new ATOM 1461 N THR A 100 6.589 -6.780 -7.187 1.00 0.00 N ATOM 1462 CA THR A 100 6.790 -7.816 -8.260 1.00 0.00 C ATOM 1463 C THR A 100 7.332 -7.376 -9.590 1.00 0.00 C ATOM 1464 O THR A 100 7.594 -8.210 -10.436 1.00 0.00 O ATOM 1465 CB THR A 100 5.491 -8.514 -8.556 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.533 -7.914 -7.692 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.551 -10.001 -8.277 1.00 0.00 C ATOM 0 H THR A 100 5.668 -6.809 -6.749 1.00 0.00 H new ATOM 0 HA THR A 100 7.561 -8.443 -7.812 1.00 0.00 H new ATOM 0 HB THR A 100 5.245 -8.411 -9.613 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.184 -8.588 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.587 -10.454 -8.508 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.324 -10.457 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.786 -10.165 -7.225 1.00 0.00 H new ATOM 1475 N LYS A 101 7.474 -6.099 -9.777 1.00 0.00 N ATOM 1476 CA LYS A 101 7.996 -5.591 -11.062 1.00 0.00 C ATOM 1477 C LYS A 101 9.248 -4.690 -10.887 1.00 0.00 C ATOM 1478 O LYS A 101 10.112 -4.694 -11.738 1.00 0.00 O ATOM 1479 CB LYS A 101 6.869 -4.817 -11.747 1.00 0.00 C ATOM 1480 CG LYS A 101 5.763 -5.817 -12.186 1.00 0.00 C ATOM 1481 CD LYS A 101 4.817 -5.049 -13.168 1.00 0.00 C ATOM 1482 CE LYS A 101 3.730 -5.924 -13.836 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.411 -6.944 -14.693 1.00 0.00 N ATOM 0 H LYS A 101 7.248 -5.382 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 101 8.319 -6.436 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.455 -4.073 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.254 -4.278 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.201 -6.687 -12.674 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.208 -6.182 -11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.329 -4.241 -12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.423 -4.588 -13.948 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.117 -6.412 -13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.062 -5.307 -14.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.707 -7.419 -15.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.118 -6.476 -15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.882 -7.647 -14.088 1.00 0.00 H new ATOM 1497 N ILE A 102 9.330 -3.937 -9.820 1.00 0.00 N ATOM 1498 CA ILE A 102 10.517 -3.050 -9.601 1.00 0.00 C ATOM 1499 C ILE A 102 11.613 -3.842 -8.806 1.00 0.00 C ATOM 1500 O ILE A 102 12.675 -3.288 -8.579 1.00 0.00 O ATOM 1501 CB ILE A 102 10.015 -1.755 -8.830 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.577 -2.064 -7.363 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.825 -1.068 -9.613 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.752 -1.895 -6.357 1.00 0.00 C ATOM 0 H ILE A 102 8.623 -3.897 -9.086 1.00 0.00 H new ATOM 0 HA ILE A 102 10.972 -2.737 -10.541 1.00 0.00 H new ATOM 0 HB ILE A 102 10.862 -1.071 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.760 -1.400 -7.081 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.194 -3.083 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.495 -0.183 -9.069 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.163 -0.778 -10.608 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.995 -1.769 -9.702 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.403 -2.120 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.559 -2.578 -6.622 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.118 -0.869 -6.394 1.00 0.00 H new ATOM 1516 N ASP A 103 11.345 -5.075 -8.421 1.00 0.00 N ATOM 1517 CA ASP A 103 12.342 -5.903 -7.659 1.00 0.00 C ATOM 1518 C ASP A 103 13.213 -6.789 -8.603 1.00 0.00 C ATOM 1519 O ASP A 103 13.561 -7.918 -8.319 1.00 0.00 O ATOM 1520 CB ASP A 103 11.545 -6.777 -6.677 1.00 0.00 C ATOM 1521 CG ASP A 103 10.669 -7.788 -7.429 1.00 0.00 C ATOM 1522 OD1 ASP A 103 10.461 -7.621 -8.623 1.00 0.00 O ATOM 1523 OD2 ASP A 103 10.238 -8.686 -6.733 1.00 0.00 O ATOM 0 H ASP A 103 10.461 -5.549 -8.607 1.00 0.00 H new ATOM 0 HA ASP A 103 13.037 -5.250 -7.131 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.231 -7.306 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.919 -6.145 -6.047 1.00 0.00 H new ATOM 1528 N THR A 104 13.543 -6.196 -9.721 1.00 0.00 N ATOM 1529 CA THR A 104 14.394 -6.807 -10.821 1.00 0.00 C ATOM 1530 C THR A 104 15.620 -7.541 -10.278 1.00 0.00 C ATOM 1531 O THR A 104 16.161 -8.456 -10.875 1.00 0.00 O ATOM 1532 CB THR A 104 14.927 -5.734 -11.781 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.488 -4.765 -10.906 1.00 0.00 O ATOM 1534 CG2 THR A 104 13.818 -4.954 -12.459 1.00 0.00 C ATOM 0 H THR A 104 13.240 -5.247 -9.940 1.00 0.00 H new ATOM 0 HA THR A 104 13.731 -7.506 -11.332 1.00 0.00 H new ATOM 0 HB THR A 104 15.570 -6.202 -12.527 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.327 -4.429 -11.285 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.252 -4.209 -13.126 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.193 -5.636 -13.035 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.210 -4.455 -11.704 1.00 0.00 H new ATOM 1542 N ASN A 105 16.003 -7.072 -9.133 1.00 0.00 N ATOM 1543 CA ASN A 105 17.181 -7.621 -8.402 1.00 0.00 C ATOM 1544 C ASN A 105 16.824 -8.921 -7.651 1.00 0.00 C ATOM 1545 O ASN A 105 17.676 -9.772 -7.503 1.00 0.00 O ATOM 1546 CB ASN A 105 17.622 -6.481 -7.470 1.00 0.00 C ATOM 1547 CG ASN A 105 16.495 -6.146 -6.509 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.376 -5.897 -6.883 1.00 0.00 O ATOM 1549 ND2 ASN A 105 16.716 -6.121 -5.246 1.00 0.00 N ATOM 0 H ASN A 105 15.535 -6.304 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 105 17.992 -7.916 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.512 -6.775 -6.914 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.888 -5.601 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 105 15.959 -5.897 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.649 -6.326 -4.887 1.00 0.00 H new ATOM 1556 N GLY A 106 15.617 -9.068 -7.162 1.00 0.00 N ATOM 1557 CA GLY A 106 15.246 -10.336 -6.429 1.00 0.00 C ATOM 1558 C GLY A 106 15.467 -10.264 -4.929 1.00 0.00 C ATOM 1559 O GLY A 106 14.625 -10.650 -4.141 1.00 0.00 O ATOM 0 H GLY A 106 14.872 -8.375 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.197 -10.562 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.830 -11.163 -6.834 1.00 0.00 H new ATOM 1563 N ILE A 107 16.629 -9.777 -4.569 1.00 0.00 N ATOM 1564 CA ILE A 107 17.011 -9.634 -3.121 1.00 0.00 C ATOM 1565 C ILE A 107 15.789 -9.367 -2.205 1.00 0.00 C ATOM 1566 O ILE A 107 15.564 -10.077 -1.246 1.00 0.00 O ATOM 1567 CB ILE A 107 18.053 -8.485 -3.020 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.287 -8.699 -3.966 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.554 -8.378 -1.567 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.875 -10.135 -3.852 1.00 0.00 C ATOM 0 H ILE A 107 17.344 -9.466 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 107 17.438 -10.573 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 107 17.552 -7.569 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.988 -8.512 -4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.061 -7.971 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.285 -7.573 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.713 -8.167 -0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.019 -9.319 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 107 20.726 -10.234 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.200 -10.315 -2.827 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.111 -10.864 -4.123 1.00 0.00 H new ATOM 1582 N GLY A 108 15.044 -8.346 -2.544 1.00 0.00 N ATOM 1583 CA GLY A 108 13.817 -7.951 -1.763 1.00 0.00 C ATOM 1584 C GLY A 108 12.922 -9.162 -1.484 1.00 0.00 C ATOM 1585 O GLY A 108 12.629 -9.500 -0.347 1.00 0.00 O ATOM 0 H GLY A 108 15.235 -7.750 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.115 -7.492 -0.821 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.255 -7.201 -2.319 1.00 0.00 H new ATOM 1589 N TYR A 109 12.512 -9.788 -2.562 1.00 0.00 N ATOM 1590 CA TYR A 109 11.628 -11.000 -2.453 1.00 0.00 C ATOM 1591 C TYR A 109 12.223 -11.941 -1.386 1.00 0.00 C ATOM 1592 O TYR A 109 11.526 -12.462 -0.535 1.00 0.00 O ATOM 1593 CB TYR A 109 11.545 -11.683 -3.870 1.00 0.00 C ATOM 1594 CG TYR A 109 10.904 -13.088 -3.745 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.662 -14.155 -3.298 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.575 -13.314 -4.057 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.108 -15.414 -3.165 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.023 -14.583 -3.922 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.790 -15.637 -3.474 1.00 0.00 C ATOM 1600 OH TYR A 109 9.265 -16.903 -3.323 1.00 0.00 O ATOM 0 H TYR A 109 12.750 -9.514 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 109 10.616 -10.738 -2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.956 -11.064 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.542 -11.767 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.702 -14.002 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.961 -12.498 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.720 -16.232 -2.814 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.984 -14.744 -4.170 1.00 0.00 H new ATOM 0 HH TYR A 109 8.320 -16.898 -3.582 1.00 0.00 H new ATOM 1610 N GLN A 110 13.521 -12.107 -1.467 1.00 0.00 N ATOM 1611 CA GLN A 110 14.259 -12.995 -0.491 1.00 0.00 C ATOM 1612 C GLN A 110 14.394 -12.358 0.929 1.00 0.00 C ATOM 1613 O GLN A 110 15.383 -12.558 1.603 1.00 0.00 O ATOM 1614 CB GLN A 110 15.688 -13.299 -1.068 1.00 0.00 C ATOM 1615 CG GLN A 110 15.644 -14.339 -2.235 1.00 0.00 C ATOM 1616 CD GLN A 110 17.046 -14.719 -2.749 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.221 -15.665 -3.481 1.00 0.00 O ATOM 1618 NE2 GLN A 110 18.092 -14.037 -2.416 1.00 0.00 N ATOM 0 H GLN A 110 14.113 -11.665 -2.171 1.00 0.00 H new ATOM 0 HA GLN A 110 13.679 -13.910 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.138 -12.373 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 110 16.327 -13.677 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.131 -15.238 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 110 15.059 -13.930 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.999 -13.229 -1.800 1.00 0.00 H new ATOM 0 HE22 GLN A 110 19.010 -14.307 -2.769 1.00 0.00 H new ATOM 1627 N GLN A 111 13.374 -11.629 1.312 1.00 0.00 N ATOM 1628 CA GLN A 111 13.277 -10.920 2.640 1.00 0.00 C ATOM 1629 C GLN A 111 14.366 -9.851 2.896 1.00 0.00 C ATOM 1630 O GLN A 111 15.527 -10.163 3.061 1.00 0.00 O ATOM 1631 CB GLN A 111 13.283 -12.024 3.731 1.00 0.00 C ATOM 1632 CG GLN A 111 12.047 -12.943 3.465 1.00 0.00 C ATOM 1633 CD GLN A 111 11.907 -13.997 4.546 1.00 0.00 C ATOM 1634 OE1 GLN A 111 11.717 -13.710 5.704 1.00 0.00 O ATOM 1635 NE2 GLN A 111 11.988 -15.250 4.245 1.00 0.00 N ATOM 0 H GLN A 111 12.553 -11.486 0.724 1.00 0.00 H new ATOM 0 HA GLN A 111 12.357 -10.336 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.207 -12.601 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.227 -11.582 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 111 11.142 -12.337 3.424 1.00 0.00 H new ATOM 0 HG3 GLN A 111 12.151 -13.426 2.493 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.148 -15.533 3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.892 -15.957 4.974 1.00 0.00 H new ATOM 1644 N GLY A 112 13.969 -8.600 2.944 1.00 0.00 N ATOM 1645 CA GLY A 112 14.967 -7.511 3.180 1.00 0.00 C ATOM 1646 C GLY A 112 14.577 -6.147 2.601 1.00 0.00 C ATOM 1647 O GLY A 112 15.010 -5.770 1.533 1.00 0.00 O ATOM 0 H GLY A 112 13.004 -8.289 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 112 15.120 -7.404 4.254 1.00 0.00 H new ATOM 0 HA3 GLY A 112 15.922 -7.813 2.750 1.00 0.00 H new ATOM 1651 N HIS A 113 13.733 -5.477 3.339 1.00 0.00 N ATOM 1652 CA HIS A 113 13.224 -4.094 2.965 1.00 0.00 C ATOM 1653 C HIS A 113 14.286 -3.263 2.161 1.00 0.00 C ATOM 1654 O HIS A 113 15.457 -3.249 2.485 1.00 0.00 O ATOM 1655 CB HIS A 113 12.860 -3.361 4.287 1.00 0.00 C ATOM 1656 CG HIS A 113 14.104 -3.011 5.118 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.841 -3.835 5.780 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.704 -1.784 5.337 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.811 -3.198 6.360 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.764 -1.914 6.109 1.00 0.00 N ATOM 0 H HIS A 113 13.354 -5.831 4.218 1.00 0.00 H new ATOM 0 HA HIS A 113 12.357 -4.196 2.313 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.311 -2.448 4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.195 -3.991 4.878 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.352 -0.847 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.564 -3.669 6.974 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.399 -1.185 6.435 1.00 0.00 H new ATOM 1668 N LEU A 114 13.851 -2.570 1.149 1.00 0.00 N ATOM 1669 CA LEU A 114 14.819 -1.766 0.323 1.00 0.00 C ATOM 1670 C LEU A 114 14.571 -0.256 0.376 1.00 0.00 C ATOM 1671 O LEU A 114 13.680 0.185 1.057 1.00 0.00 O ATOM 1672 CB LEU A 114 14.723 -2.338 -1.139 1.00 0.00 C ATOM 1673 CG LEU A 114 13.422 -1.999 -1.941 1.00 0.00 C ATOM 1674 CD1 LEU A 114 13.440 -2.831 -3.260 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.127 -2.328 -1.180 1.00 0.00 C ATOM 0 H LEU A 114 12.877 -2.519 0.852 1.00 0.00 H new ATOM 0 HA LEU A 114 15.827 -1.869 0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 114 15.578 -1.970 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 114 14.818 -3.423 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 114 13.422 -0.924 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 114 12.543 -2.614 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 114 14.322 -2.568 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 114 13.468 -3.894 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 114 11.267 -2.067 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.100 -3.393 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.095 -1.757 -0.252 1.00 0.00 H new ATOM 1687 N ASN A 115 15.344 0.527 -0.315 1.00 0.00 N ATOM 1688 CA ASN A 115 15.125 2.005 -0.278 1.00 0.00 C ATOM 1689 C ASN A 115 14.554 2.423 -1.648 1.00 0.00 C ATOM 1690 O ASN A 115 15.197 2.211 -2.657 1.00 0.00 O ATOM 1691 CB ASN A 115 16.484 2.621 0.027 1.00 0.00 C ATOM 1692 CG ASN A 115 16.379 4.118 0.132 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.969 4.661 1.130 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.746 4.822 -0.885 1.00 0.00 N ATOM 0 H ASN A 115 16.117 0.215 -0.903 1.00 0.00 H new ATOM 0 HA ASN A 115 14.415 2.338 0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.873 2.213 0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.193 2.356 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.690 5.840 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.092 4.361 -1.726 1.00 0.00 H new ATOM 1701 N VAL A 116 13.374 2.995 -1.637 1.00 0.00 N ATOM 1702 CA VAL A 116 12.714 3.436 -2.922 1.00 0.00 C ATOM 1703 C VAL A 116 12.257 4.906 -2.845 1.00 0.00 C ATOM 1704 O VAL A 116 12.406 5.580 -1.836 1.00 0.00 O ATOM 1705 CB VAL A 116 11.435 2.542 -3.240 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.689 1.028 -3.047 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.224 2.939 -2.348 1.00 0.00 C ATOM 0 H VAL A 116 12.832 3.179 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 116 13.459 3.323 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 116 11.214 2.731 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.780 0.474 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.490 0.706 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.977 0.836 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.370 2.308 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.486 2.804 -1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.967 3.983 -2.527 1.00 0.00 H new ATOM 1717 N ASN A 117 11.716 5.356 -3.951 1.00 0.00 N ATOM 1718 CA ASN A 117 11.206 6.765 -4.020 1.00 0.00 C ATOM 1719 C ASN A 117 9.745 6.728 -4.477 1.00 0.00 C ATOM 1720 O ASN A 117 9.431 6.038 -5.440 1.00 0.00 O ATOM 1721 CB ASN A 117 12.107 7.522 -4.992 1.00 0.00 C ATOM 1722 CG ASN A 117 13.384 7.747 -4.224 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.650 8.798 -3.694 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.223 6.782 -4.114 1.00 0.00 N ATOM 0 H ASN A 117 11.605 4.812 -4.807 1.00 0.00 H new ATOM 0 HA ASN A 117 11.232 7.272 -3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.286 6.945 -5.899 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.656 8.466 -5.298 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.087 6.915 -3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.025 5.882 -4.551 1.00 0.00 H new ATOM 1731 N TYR A 118 8.902 7.461 -3.781 1.00 0.00 N ATOM 1732 CA TYR A 118 7.466 7.463 -4.175 1.00 0.00 C ATOM 1733 C TYR A 118 6.883 8.887 -4.105 1.00 0.00 C ATOM 1734 O TYR A 118 7.071 9.656 -3.174 1.00 0.00 O ATOM 1735 CB TYR A 118 6.728 6.418 -3.231 1.00 0.00 C ATOM 1736 CG TYR A 118 6.481 6.843 -1.762 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.676 7.926 -1.437 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.074 6.137 -0.727 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.476 8.290 -0.114 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.870 6.512 0.594 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.071 7.590 0.910 1.00 0.00 C ATOM 1742 OH TYR A 118 5.853 8.010 2.209 1.00 0.00 O ATOM 0 H TYR A 118 9.144 8.042 -2.978 1.00 0.00 H new ATOM 0 HA TYR A 118 7.326 7.158 -5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.764 6.179 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.313 5.498 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.200 8.492 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.701 5.287 -0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.844 9.135 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.344 5.951 1.386 1.00 0.00 H new ATOM 0 HH TYR A 118 6.334 7.422 2.828 1.00 0.00 H new ATOM 1752 N GLN A 119 6.172 9.199 -5.150 1.00 0.00 N ATOM 1753 CA GLN A 119 5.517 10.544 -5.276 1.00 0.00 C ATOM 1754 C GLN A 119 4.000 10.418 -5.585 1.00 0.00 C ATOM 1755 O GLN A 119 3.627 9.691 -6.487 1.00 0.00 O ATOM 1756 CB GLN A 119 6.220 11.354 -6.434 1.00 0.00 C ATOM 1757 CG GLN A 119 7.570 10.702 -6.950 1.00 0.00 C ATOM 1758 CD GLN A 119 8.703 10.641 -5.905 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.654 9.894 -6.043 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.661 11.399 -4.852 1.00 0.00 N ATOM 0 H GLN A 119 6.010 8.573 -5.939 1.00 0.00 H new ATOM 0 HA GLN A 119 5.624 11.064 -4.324 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.529 11.444 -7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.428 12.365 -6.082 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.359 9.690 -7.295 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.922 11.266 -7.814 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.875 12.034 -4.712 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.414 11.359 -4.165 1.00 0.00 H new ATOM 1769 N PHE A 120 3.162 11.118 -4.853 1.00 0.00 N ATOM 1770 CA PHE A 120 1.690 11.024 -5.135 1.00 0.00 C ATOM 1771 C PHE A 120 1.465 11.728 -6.486 1.00 0.00 C ATOM 1772 O PHE A 120 1.754 12.889 -6.695 1.00 0.00 O ATOM 1773 CB PHE A 120 0.846 11.747 -4.060 1.00 0.00 C ATOM 1774 CG PHE A 120 0.559 10.850 -2.837 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.583 10.341 -2.061 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.749 10.532 -2.487 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.302 9.540 -0.970 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.021 9.735 -1.402 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.000 9.237 -0.640 1.00 0.00 C ATOM 0 H PHE A 120 3.426 11.738 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 120 1.385 9.978 -5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.370 12.645 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.098 12.071 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.609 10.570 -2.308 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.565 10.919 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.111 9.148 -0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.045 9.501 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.213 8.611 0.214 1.00 0.00 H new ATOM 1789 N VAL A 121 0.918 10.959 -7.373 1.00 0.00 N ATOM 1790 CA VAL A 121 0.619 11.430 -8.759 1.00 0.00 C ATOM 1791 C VAL A 121 -0.843 11.167 -9.147 1.00 0.00 C ATOM 1792 O VAL A 121 -1.411 10.141 -8.843 1.00 0.00 O ATOM 1793 CB VAL A 121 1.651 10.690 -9.672 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.982 9.795 -10.742 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.527 11.714 -10.386 1.00 0.00 C ATOM 0 H VAL A 121 0.654 9.990 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 121 0.723 12.510 -8.862 1.00 0.00 H new ATOM 0 HB VAL A 121 2.239 10.047 -9.018 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.751 9.309 -11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.372 9.036 -10.252 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.351 10.408 -11.386 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.246 11.197 -11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.902 12.364 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.060 12.314 -9.649 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.461 12.098 -9.811 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.858 11.889 -10.206 1.00 0.00 C ATOM 1807 C ASP A 122 -2.905 11.213 -11.604 1.00 0.00 C ATOM 1808 O ASP A 122 -2.191 11.581 -12.510 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.511 13.295 -10.126 1.00 0.00 C ATOM 1810 CG ASP A 122 -2.920 14.416 -10.990 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -1.715 14.402 -11.199 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.730 15.241 -11.365 1.00 0.00 O ATOM 0 H ASP A 122 -1.053 12.989 -10.092 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.415 11.208 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -4.563 13.190 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.475 13.621 -9.086 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.726 10.203 -11.741 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.811 9.525 -13.079 1.00 0.00 C ATOM 1819 C CYS A 123 -4.877 10.240 -13.894 1.00 0.00 C ATOM 1820 O CYS A 123 -4.697 10.571 -15.043 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.196 8.030 -12.917 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.874 6.814 -12.668 1.00 0.00 S ATOM 0 H CYS A 123 -4.327 9.823 -11.010 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.842 9.570 -13.577 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.879 7.954 -12.071 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.755 7.734 -13.805 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.961 10.447 -13.197 1.00 0.00 N ATOM 1828 CA ARG A 124 -7.209 11.120 -13.709 1.00 0.00 C ATOM 1829 C ARG A 124 -7.485 10.780 -15.190 1.00 0.00 C ATOM 1830 O ARG A 124 -7.377 11.577 -16.110 1.00 0.00 O ATOM 1831 CB ARG A 124 -7.077 12.657 -13.532 1.00 0.00 C ATOM 1832 CG ARG A 124 -8.501 13.282 -13.288 1.00 0.00 C ATOM 1833 CD ARG A 124 -9.571 12.949 -14.388 1.00 0.00 C ATOM 1834 NE ARG A 124 -9.115 13.545 -15.690 1.00 0.00 N ATOM 1835 CZ ARG A 124 -9.787 14.448 -16.305 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -9.878 15.606 -15.769 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -10.318 14.113 -17.415 1.00 0.00 N ATOM 0 H ARG A 124 -6.042 10.157 -12.222 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.053 10.748 -13.128 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -6.421 12.882 -12.691 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -6.622 13.098 -14.419 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.873 12.935 -12.324 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.399 14.365 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.691 11.870 -14.486 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.543 13.353 -14.106 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.239 13.220 -16.100 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -9.423 15.792 -14.875 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.406 16.344 -16.235 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.198 13.165 -17.773 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.863 14.793 -17.945 1.00 0.00 H new ATOM 1851 N ASP A 125 -7.851 9.531 -15.240 1.00 0.00 N ATOM 1852 CA ASP A 125 -8.216 8.795 -16.475 1.00 0.00 C ATOM 1853 C ASP A 125 -9.601 9.350 -16.961 1.00 0.00 C ATOM 1854 O ASP A 125 -10.594 8.676 -16.734 1.00 0.00 O ATOM 1855 CB ASP A 125 -8.191 7.263 -16.024 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.112 6.295 -17.191 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.472 6.660 -18.160 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.682 5.229 -17.023 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.595 10.444 -17.525 1.00 0.00 O ATOM 0 H ASP A 125 -7.914 8.951 -14.403 1.00 0.00 H new ATOM 0 HA ASP A 125 -7.554 8.911 -17.333 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.337 7.099 -15.366 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.087 7.048 -15.442 1.00 0.00 H new