USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 MET CE :methyl 140:sc= -0.569 (180deg=-1.39!) USER MOD Set 1.2: A 68 SER OG : rot -73:sc= -0.687 USER MOD Set 1.3: A 71 GLN : amide:sc= -0.0564 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 26 HIS : no HE2:sc= 0.47 K(o=1.2,f=-5!) USER MOD Set 2.2: A 40 SER OG : rot -137:sc= 0.735 USER MOD Single : A 4 GLN : amide:sc= -0.516 X(o=-0.52,f=-0.42) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00999 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.23) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.686 USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.745 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -140:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0799 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -26:sc= 0.804 USER MOD Single : A 85 SER OG : rot 55:sc= 0.002 USER MOD Single : A 88 HIS : no HE2:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= -3.06 K(o=-3.1,f=-4.4!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 0.895 -0.598 -2.863 1.00 0.00 N ATOM 19 CA GLY A 2 0.368 -1.347 -3.988 1.00 0.00 C ATOM 20 C GLY A 2 -1.141 -1.250 -4.093 1.00 0.00 C ATOM 21 O GLY A 2 -1.718 -1.537 -5.142 1.00 0.00 O ATOM 0 HA2 GLY A 2 0.818 -0.977 -4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.656 -2.394 -3.891 1.00 0.00 H new ATOM 25 N VAL A 3 -1.784 -0.846 -3.002 1.00 0.00 N ATOM 26 CA VAL A 3 -3.236 -0.712 -2.976 1.00 0.00 C ATOM 27 C VAL A 3 -3.671 0.351 -1.973 1.00 0.00 C ATOM 28 O VAL A 3 -3.333 0.279 -0.792 1.00 0.00 O ATOM 29 CB VAL A 3 -3.916 -2.047 -2.620 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.389 -2.579 -1.296 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.427 -1.879 -2.573 1.00 0.00 C ATOM 0 H VAL A 3 -1.323 -0.606 -2.125 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.545 -0.411 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.678 -2.774 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.881 -3.523 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.313 -2.739 -1.371 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.594 -1.857 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.891 -2.832 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.687 -1.137 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.787 -1.547 -3.547 1.00 0.00 H new ATOM 41 N GLN A 4 -4.425 1.335 -2.453 1.00 0.00 N ATOM 42 CA GLN A 4 -4.907 2.413 -1.598 1.00 0.00 C ATOM 43 C GLN A 4 -6.431 2.426 -1.545 1.00 0.00 C ATOM 44 O GLN A 4 -7.099 2.080 -2.519 1.00 0.00 O ATOM 45 CB GLN A 4 -4.390 3.762 -2.102 1.00 0.00 C ATOM 46 CG GLN A 4 -3.853 4.659 -0.998 1.00 0.00 C ATOM 47 CD GLN A 4 -2.783 3.982 -0.164 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.837 3.997 1.066 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.804 3.382 -0.831 1.00 0.00 N ATOM 0 H GLN A 4 -4.715 1.408 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.529 2.241 -0.590 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.601 3.589 -2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.197 4.281 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.443 5.567 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.675 4.963 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.799 3.395 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.057 2.909 -0.323 1.00 0.00 H new ATOM 58 N VAL A 5 -6.975 2.828 -0.401 1.00 0.00 N ATOM 59 CA VAL A 5 -8.421 2.887 -0.221 1.00 0.00 C ATOM 60 C VAL A 5 -8.879 4.307 0.089 1.00 0.00 C ATOM 61 O VAL A 5 -8.457 4.905 1.079 1.00 0.00 O ATOM 62 CB VAL A 5 -8.884 1.951 0.912 1.00 0.00 C ATOM 63 CG1 VAL A 5 -8.140 2.264 2.201 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.388 2.064 1.114 1.00 0.00 C ATOM 0 H VAL A 5 -6.436 3.118 0.415 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.870 2.560 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.654 0.924 0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.480 1.593 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.070 2.128 2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.336 3.296 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.698 1.396 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.644 3.091 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.901 1.786 0.193 1.00 0.00 H new ATOM 74 N VAL A 6 -9.746 4.843 -0.765 1.00 0.00 N ATOM 75 CA VAL A 6 -10.263 6.194 -0.582 1.00 0.00 C ATOM 76 C VAL A 6 -11.686 6.168 -0.035 1.00 0.00 C ATOM 77 O VAL A 6 -12.642 5.916 -0.770 1.00 0.00 O ATOM 78 CB VAL A 6 -10.247 6.984 -1.904 1.00 0.00 C ATOM 79 CG1 VAL A 6 -10.605 8.442 -1.659 1.00 0.00 C ATOM 80 CG2 VAL A 6 -8.889 6.867 -2.579 1.00 0.00 C ATOM 0 H VAL A 6 -10.105 4.362 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.610 6.689 0.137 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.996 6.557 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.589 8.984 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.602 8.503 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.881 8.884 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.896 7.431 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.119 7.267 -1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.677 5.819 -2.791 1.00 0.00 H new ATOM 90 N THR A 7 -11.821 6.431 1.261 1.00 0.00 N ATOM 91 CA THR A 7 -13.127 6.437 1.908 1.00 0.00 C ATOM 92 C THR A 7 -14.111 7.322 1.151 1.00 0.00 C ATOM 93 O THR A 7 -13.843 8.499 0.908 1.00 0.00 O ATOM 94 CB THR A 7 -13.030 6.926 3.365 1.00 0.00 C ATOM 95 OG1 THR A 7 -11.888 6.343 4.002 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.288 6.568 4.141 1.00 0.00 C ATOM 0 H THR A 7 -11.041 6.643 1.883 1.00 0.00 H new ATOM 0 HA THR A 7 -13.488 5.408 1.901 1.00 0.00 H new ATOM 0 HB THR A 7 -12.925 8.011 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.832 6.660 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.196 6.924 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.152 7.038 3.670 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.419 5.486 4.142 1.00 0.00 H new ATOM 104 N LEU A 8 -15.251 6.749 0.781 1.00 0.00 N ATOM 105 CA LEU A 8 -16.277 7.486 0.052 1.00 0.00 C ATOM 106 C LEU A 8 -17.529 7.665 0.905 1.00 0.00 C ATOM 107 O LEU A 8 -18.074 8.764 1.002 1.00 0.00 O ATOM 108 CB LEU A 8 -16.630 6.759 -1.246 1.00 0.00 C ATOM 109 CG LEU A 8 -15.518 6.677 -2.293 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.682 5.431 -3.149 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.511 7.926 -3.163 1.00 0.00 C ATOM 0 H LEU A 8 -15.488 5.776 0.974 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.879 8.472 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.943 5.745 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.489 7.257 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.561 6.614 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.882 5.390 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.637 4.545 -2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -16.645 5.464 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.713 7.850 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.470 8.020 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.344 8.804 -2.538 1.00 0.00 H new ATOM 123 N ALA A 9 -17.978 6.577 1.523 1.00 0.00 N ATOM 124 CA ALA A 9 -19.163 6.615 2.371 1.00 0.00 C ATOM 125 C ALA A 9 -18.984 5.734 3.603 1.00 0.00 C ATOM 126 O ALA A 9 -19.044 4.508 3.515 1.00 0.00 O ATOM 127 CB ALA A 9 -20.390 6.181 1.583 1.00 0.00 C ATOM 0 H ALA A 9 -17.539 5.659 1.452 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.306 7.642 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.268 6.214 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.536 6.853 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.247 5.164 1.217 1.00 0.00 H new ATOM 133 N ALA A 10 -18.764 6.368 4.750 1.00 0.00 N ATOM 134 CA ALA A 10 -18.577 5.642 6.000 1.00 0.00 C ATOM 135 C ALA A 10 -19.707 4.643 6.229 1.00 0.00 C ATOM 136 O ALA A 10 -20.806 4.802 5.698 1.00 0.00 O ATOM 137 CB ALA A 10 -18.486 6.614 7.167 1.00 0.00 C ATOM 0 H ALA A 10 -18.711 7.383 4.839 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.642 5.085 5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.346 6.058 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.641 7.286 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.406 7.196 7.228 1.00 0.00 H new ATOM 143 N GLY A 11 -19.429 3.612 7.021 1.00 0.00 N ATOM 144 CA GLY A 11 -20.432 2.603 7.305 1.00 0.00 C ATOM 145 C GLY A 11 -20.456 2.203 8.767 1.00 0.00 C ATOM 146 O GLY A 11 -20.548 3.057 9.649 1.00 0.00 O ATOM 0 H GLY A 11 -18.527 3.458 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.414 2.981 7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.239 1.721 6.694 1.00 0.00 H new ATOM 150 N ASP A 12 -20.374 0.903 9.024 1.00 0.00 N ATOM 151 CA ASP A 12 -20.387 0.391 10.390 1.00 0.00 C ATOM 152 C ASP A 12 -19.060 0.672 11.088 1.00 0.00 C ATOM 153 O ASP A 12 -19.006 0.801 12.310 1.00 0.00 O ATOM 154 CB ASP A 12 -20.670 -1.112 10.392 1.00 0.00 C ATOM 155 CG ASP A 12 -22.077 -1.436 9.930 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.896 -0.500 9.821 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.360 -2.626 9.679 1.00 0.00 O ATOM 0 H ASP A 12 -20.298 0.184 8.305 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.180 0.903 10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -19.953 -1.615 9.743 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.521 -1.506 11.397 1.00 0.00 H new ATOM 162 N GLU A 13 -17.991 0.764 10.302 1.00 0.00 N ATOM 163 CA GLU A 13 -16.664 1.027 10.846 1.00 0.00 C ATOM 164 C GLU A 13 -16.449 0.263 12.149 1.00 0.00 C ATOM 165 O GLU A 13 -15.884 0.793 13.106 1.00 0.00 O ATOM 166 CB GLU A 13 -16.475 2.527 11.084 1.00 0.00 C ATOM 167 CG GLU A 13 -17.418 3.101 12.128 1.00 0.00 C ATOM 168 CD GLU A 13 -16.949 4.440 12.664 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.927 5.417 11.887 1.00 0.00 O ATOM 170 OE2 GLU A 13 -16.603 4.509 13.862 1.00 0.00 O ATOM 0 H GLU A 13 -18.018 0.660 9.288 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.927 0.686 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.447 2.710 11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.622 3.057 10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.410 3.216 11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.512 2.396 12.954 1.00 0.00 H new ATOM 177 N ALA A 14 -16.904 -0.985 12.178 1.00 0.00 N ATOM 178 CA ALA A 14 -16.760 -1.823 13.362 1.00 0.00 C ATOM 179 C ALA A 14 -16.657 -3.297 12.983 1.00 0.00 C ATOM 180 O ALA A 14 -15.851 -4.039 13.545 1.00 0.00 O ATOM 181 CB ALA A 14 -17.929 -1.601 14.311 1.00 0.00 C ATOM 0 H ALA A 14 -17.375 -1.438 11.395 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.837 -1.539 13.867 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.809 -2.233 15.191 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -17.956 -0.555 14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.861 -1.856 13.806 1.00 0.00 H new ATOM 187 N THR A 15 -17.479 -3.715 12.025 1.00 0.00 N ATOM 188 CA THR A 15 -17.481 -5.100 11.572 1.00 0.00 C ATOM 189 C THR A 15 -16.582 -5.282 10.355 1.00 0.00 C ATOM 190 O THR A 15 -16.889 -4.797 9.266 1.00 0.00 O ATOM 191 CB THR A 15 -18.904 -5.574 11.219 1.00 0.00 C ATOM 192 OG1 THR A 15 -19.827 -5.142 12.225 1.00 0.00 O ATOM 193 CG2 THR A 15 -18.955 -7.089 11.094 1.00 0.00 C ATOM 0 H THR A 15 -18.151 -3.114 11.548 1.00 0.00 H new ATOM 0 HA THR A 15 -17.099 -5.702 12.396 1.00 0.00 H new ATOM 0 HB THR A 15 -19.181 -5.137 10.260 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.729 -5.445 11.993 1.00 0.00 H new ATOM 0 HG21 THR A 15 -19.970 -7.400 10.844 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.273 -7.412 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.659 -7.542 12.040 1.00 0.00 H new ATOM 201 N TYR A 16 -15.470 -5.984 10.546 1.00 0.00 N ATOM 202 CA TYR A 16 -14.525 -6.228 9.463 1.00 0.00 C ATOM 203 C TYR A 16 -14.396 -7.722 9.179 1.00 0.00 C ATOM 204 O TYR A 16 -14.630 -8.567 10.043 1.00 0.00 O ATOM 205 CB TYR A 16 -13.155 -5.644 9.812 1.00 0.00 C ATOM 206 CG TYR A 16 -13.162 -4.141 9.977 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.623 -3.553 11.149 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.709 -3.309 8.962 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.631 -2.181 11.304 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.713 -1.935 9.108 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.175 -1.376 10.282 1.00 0.00 C ATOM 212 OH TYR A 16 -13.182 -0.008 10.431 1.00 0.00 O ATOM 0 H TYR A 16 -15.201 -6.394 11.441 1.00 0.00 H new ATOM 0 HA TYR A 16 -14.904 -5.737 8.567 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.799 -6.101 10.735 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.445 -5.912 9.030 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.981 -4.180 11.952 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.347 -3.744 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.993 -1.741 12.221 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.357 -1.303 8.308 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.827 0.411 9.619 1.00 0.00 H new ATOM 222 N PRO A 17 -14.014 -8.056 7.937 1.00 0.00 N ATOM 223 CA PRO A 17 -13.843 -9.447 7.509 1.00 0.00 C ATOM 224 C PRO A 17 -12.637 -10.112 8.164 1.00 0.00 C ATOM 225 O PRO A 17 -11.529 -9.576 8.137 1.00 0.00 O ATOM 226 CB PRO A 17 -13.633 -9.330 5.997 1.00 0.00 C ATOM 227 CG PRO A 17 -13.085 -7.959 5.796 1.00 0.00 C ATOM 228 CD PRO A 17 -13.718 -7.100 6.856 1.00 0.00 C ATOM 0 HA PRO A 17 -14.695 -10.066 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.942 -10.090 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.569 -9.466 5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.999 -7.956 5.888 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.321 -7.587 4.799 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.044 -6.312 7.190 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.622 -6.613 6.491 1.00 0.00 H new ATOM 236 N LYS A 18 -12.860 -11.282 8.753 1.00 0.00 N ATOM 237 CA LYS A 18 -11.792 -12.022 9.414 1.00 0.00 C ATOM 238 C LYS A 18 -10.904 -12.725 8.393 1.00 0.00 C ATOM 239 O LYS A 18 -11.388 -13.234 7.382 1.00 0.00 O ATOM 240 CB LYS A 18 -12.380 -13.047 10.386 1.00 0.00 C ATOM 241 CG LYS A 18 -11.522 -13.277 11.619 1.00 0.00 C ATOM 242 CD LYS A 18 -11.820 -14.622 12.261 1.00 0.00 C ATOM 243 CE LYS A 18 -10.721 -15.032 13.230 1.00 0.00 C ATOM 244 NZ LYS A 18 -9.628 -15.776 12.546 1.00 0.00 N ATOM 0 H LYS A 18 -13.772 -11.738 8.786 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.182 -11.311 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.369 -12.713 10.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.514 -13.995 9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.468 -13.229 11.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.700 -12.480 12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.772 -14.571 12.789 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.925 -15.381 11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.310 -14.144 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.145 -15.654 14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.899 -16.038 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.015 -16.637 12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.206 -15.174 11.811 1.00 0.00 H new ATOM 258 N ALA A 19 -9.603 -12.751 8.664 1.00 0.00 N ATOM 259 CA ALA A 19 -8.649 -13.395 7.770 1.00 0.00 C ATOM 260 C ALA A 19 -9.006 -14.861 7.550 1.00 0.00 C ATOM 261 O ALA A 19 -8.950 -15.670 8.476 1.00 0.00 O ATOM 262 CB ALA A 19 -7.238 -13.272 8.327 1.00 0.00 C ATOM 0 H ALA A 19 -9.186 -12.333 9.496 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.693 -12.888 6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.536 -13.757 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.977 -12.218 8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.190 -13.752 9.304 1.00 0.00 H new ATOM 268 N GLY A 20 -9.375 -15.197 6.318 1.00 0.00 N ATOM 269 CA GLY A 20 -9.738 -16.566 5.999 1.00 0.00 C ATOM 270 C GLY A 20 -11.238 -16.780 5.982 1.00 0.00 C ATOM 271 O GLY A 20 -11.713 -17.866 5.653 1.00 0.00 O ATOM 0 H GLY A 20 -9.429 -14.546 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.326 -16.830 5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.287 -17.238 6.729 1.00 0.00 H new ATOM 275 N GLN A 21 -11.986 -15.741 6.340 1.00 0.00 N ATOM 276 CA GLN A 21 -13.442 -15.822 6.366 1.00 0.00 C ATOM 277 C GLN A 21 -14.042 -15.270 5.077 1.00 0.00 C ATOM 278 O GLN A 21 -13.363 -14.593 4.305 1.00 0.00 O ATOM 279 CB GLN A 21 -13.994 -15.054 7.569 1.00 0.00 C ATOM 280 CG GLN A 21 -14.637 -15.948 8.618 1.00 0.00 C ATOM 281 CD GLN A 21 -14.949 -15.207 9.903 1.00 0.00 C ATOM 282 OE1 GLN A 21 -14.631 -15.677 10.996 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.573 -14.042 9.780 1.00 0.00 N ATOM 0 H GLN A 21 -11.608 -14.834 6.616 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.721 -16.872 6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.185 -14.489 8.032 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.730 -14.329 7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.557 -16.372 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.971 -16.783 8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.818 -13.690 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -15.807 -13.499 10.611 1.00 0.00 H new ATOM 292 N VAL A 22 -15.318 -15.565 4.850 1.00 0.00 N ATOM 293 CA VAL A 22 -16.010 -15.098 3.655 1.00 0.00 C ATOM 294 C VAL A 22 -16.556 -13.689 3.851 1.00 0.00 C ATOM 295 O VAL A 22 -17.047 -13.346 4.926 1.00 0.00 O ATOM 296 CB VAL A 22 -17.169 -16.038 3.274 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.810 -15.594 1.968 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.680 -17.475 3.176 1.00 0.00 C ATOM 0 H VAL A 22 -15.894 -16.126 5.478 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.278 -15.091 2.848 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.925 -15.989 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.627 -16.270 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.198 -14.582 2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -17.065 -15.612 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.512 -18.125 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.904 -17.544 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.273 -17.787 4.138 1.00 0.00 H new ATOM 308 N ALA A 23 -16.467 -12.874 2.804 1.00 0.00 N ATOM 309 CA ALA A 23 -16.955 -11.502 2.861 1.00 0.00 C ATOM 310 C ALA A 23 -17.669 -11.120 1.569 1.00 0.00 C ATOM 311 O ALA A 23 -17.194 -11.418 0.473 1.00 0.00 O ATOM 312 CB ALA A 23 -15.805 -10.544 3.134 1.00 0.00 C ATOM 0 H ALA A 23 -16.062 -13.141 1.907 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.674 -11.431 3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.184 -9.523 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.340 -10.796 4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.066 -10.626 2.337 1.00 0.00 H new ATOM 318 N VAL A 24 -18.814 -10.458 1.704 1.00 0.00 N ATOM 319 CA VAL A 24 -19.594 -10.034 0.547 1.00 0.00 C ATOM 320 C VAL A 24 -19.543 -8.520 0.375 1.00 0.00 C ATOM 321 O VAL A 24 -19.902 -7.769 1.281 1.00 0.00 O ATOM 322 CB VAL A 24 -21.064 -10.477 0.669 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.811 -10.208 -0.628 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.147 -11.948 1.047 1.00 0.00 C ATOM 0 H VAL A 24 -19.222 -10.204 2.604 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.150 -10.511 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.537 -9.895 1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -22.848 -10.527 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.780 -9.142 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.341 -10.762 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.193 -12.244 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.659 -12.549 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.649 -12.107 2.004 1.00 0.00 H new ATOM 334 N VAL A 25 -19.095 -8.078 -0.796 1.00 0.00 N ATOM 335 CA VAL A 25 -18.998 -6.653 -1.089 1.00 0.00 C ATOM 336 C VAL A 25 -19.314 -6.371 -2.553 1.00 0.00 C ATOM 337 O VAL A 25 -19.344 -7.283 -3.381 1.00 0.00 O ATOM 338 CB VAL A 25 -17.595 -6.107 -0.763 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.105 -6.654 0.569 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.619 -6.446 -1.880 1.00 0.00 C ATOM 0 H VAL A 25 -18.794 -8.686 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.731 -6.149 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.656 -5.022 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.112 -6.257 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.793 -6.355 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.058 -7.742 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.633 -6.053 -1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.560 -7.528 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.964 -6.000 -2.813 1.00 0.00 H new ATOM 350 N HIS A 26 -19.549 -5.101 -2.868 1.00 0.00 N ATOM 351 CA HIS A 26 -19.862 -4.697 -4.234 1.00 0.00 C ATOM 352 C HIS A 26 -18.678 -3.977 -4.873 1.00 0.00 C ATOM 353 O HIS A 26 -18.201 -2.967 -4.356 1.00 0.00 O ATOM 354 CB HIS A 26 -21.094 -3.792 -4.251 1.00 0.00 C ATOM 355 CG HIS A 26 -22.369 -4.520 -4.545 1.00 0.00 C ATOM 356 ND1 HIS A 26 -22.596 -5.193 -5.727 1.00 0.00 N ATOM 357 CD2 HIS A 26 -23.489 -4.681 -3.801 1.00 0.00 C ATOM 358 CE1 HIS A 26 -23.801 -5.734 -5.699 1.00 0.00 C ATOM 359 NE2 HIS A 26 -24.363 -5.439 -4.540 1.00 0.00 N ATOM 0 H HIS A 26 -19.529 -4.334 -2.196 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.073 -5.596 -4.813 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.183 -3.296 -3.285 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.951 -3.011 -4.998 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -21.936 -5.262 -6.502 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -23.662 -4.287 -2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -24.250 -6.318 -6.489 1.00 0.00 H new ATOM 367 N TYR A 27 -18.209 -4.505 -5.998 1.00 0.00 N ATOM 368 CA TYR A 27 -17.079 -3.914 -6.705 1.00 0.00 C ATOM 369 C TYR A 27 -17.538 -3.222 -7.985 1.00 0.00 C ATOM 370 O TYR A 27 -18.398 -3.729 -8.706 1.00 0.00 O ATOM 371 CB TYR A 27 -16.041 -4.988 -7.038 1.00 0.00 C ATOM 372 CG TYR A 27 -16.482 -5.940 -8.126 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.307 -5.623 -9.467 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.072 -7.158 -7.812 1.00 0.00 C ATOM 375 CE1 TYR A 27 -16.709 -6.490 -10.465 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.476 -8.032 -8.803 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.293 -7.693 -10.128 1.00 0.00 C ATOM 378 OH TYR A 27 -17.694 -8.560 -11.118 1.00 0.00 O ATOM 0 H TYR A 27 -18.593 -5.340 -6.440 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.625 -3.168 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.114 -4.503 -7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.819 -5.558 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -15.849 -4.682 -9.734 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.217 -7.426 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.567 -6.227 -11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.933 -8.975 -8.542 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.085 -9.362 -10.712 1.00 0.00 H new ATOM 388 N THR A 28 -16.958 -2.058 -8.262 1.00 0.00 N ATOM 389 CA THR A 28 -17.306 -1.295 -9.453 1.00 0.00 C ATOM 390 C THR A 28 -16.058 -0.860 -10.212 1.00 0.00 C ATOM 391 O THR A 28 -15.134 -0.290 -9.633 1.00 0.00 O ATOM 392 CB THR A 28 -18.137 -0.047 -9.098 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.359 -0.438 -8.460 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.448 0.769 -10.343 1.00 0.00 C ATOM 0 H THR A 28 -16.245 -1.624 -7.677 1.00 0.00 H new ATOM 0 HA THR A 28 -17.902 -1.952 -10.086 1.00 0.00 H new ATOM 0 HB THR A 28 -17.552 0.570 -8.416 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.881 0.361 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 28 -19.035 1.645 -10.067 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.517 1.089 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.015 0.159 -11.046 1.00 0.00 H new ATOM 402 N GLY A 29 -16.038 -1.132 -11.514 1.00 0.00 N ATOM 403 CA GLY A 29 -14.897 -0.762 -12.331 1.00 0.00 C ATOM 404 C GLY A 29 -14.721 0.740 -12.433 1.00 0.00 C ATOM 405 O GLY A 29 -15.699 1.487 -12.484 1.00 0.00 O ATOM 0 H GLY A 29 -16.791 -1.602 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.994 -1.203 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.019 -1.179 -13.331 1.00 0.00 H new ATOM 409 N THR A 30 -13.469 1.187 -12.462 1.00 0.00 N ATOM 410 CA THR A 30 -13.167 2.610 -12.555 1.00 0.00 C ATOM 411 C THR A 30 -11.682 2.841 -12.811 1.00 0.00 C ATOM 412 O THR A 30 -10.831 2.128 -12.277 1.00 0.00 O ATOM 413 CB THR A 30 -13.578 3.356 -11.272 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.109 2.432 -10.316 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.613 4.429 -11.578 1.00 0.00 C ATOM 0 H THR A 30 -12.648 0.583 -12.422 1.00 0.00 H new ATOM 0 HA THR A 30 -13.742 3.002 -13.394 1.00 0.00 H new ATOM 0 HB THR A 30 -12.692 3.836 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.375 2.036 -9.801 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.888 4.942 -10.657 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.195 5.148 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.499 3.967 -12.014 1.00 0.00 H new ATOM 423 N LEU A 31 -11.376 3.842 -13.629 1.00 0.00 N ATOM 424 CA LEU A 31 -9.993 4.168 -13.955 1.00 0.00 C ATOM 425 C LEU A 31 -9.495 5.337 -13.110 1.00 0.00 C ATOM 426 O LEU A 31 -10.289 6.094 -12.552 1.00 0.00 O ATOM 427 CB LEU A 31 -9.864 4.507 -15.441 1.00 0.00 C ATOM 428 CG LEU A 31 -9.819 3.316 -16.399 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.721 3.794 -17.840 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.652 2.401 -16.058 1.00 0.00 C ATOM 0 H LEU A 31 -12.068 4.442 -14.079 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.379 3.295 -13.733 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.704 5.143 -15.722 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.957 5.095 -15.582 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.743 2.749 -16.288 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.690 2.933 -18.508 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.589 4.408 -18.080 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.813 4.384 -17.967 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.636 1.559 -16.750 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.718 2.957 -16.140 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.765 2.031 -15.039 1.00 0.00 H new ATOM 442 N ALA A 32 -8.177 5.479 -13.024 1.00 0.00 N ATOM 443 CA ALA A 32 -7.574 6.558 -12.251 1.00 0.00 C ATOM 444 C ALA A 32 -8.029 7.920 -12.763 1.00 0.00 C ATOM 445 O ALA A 32 -7.967 8.917 -12.042 1.00 0.00 O ATOM 446 CB ALA A 32 -6.056 6.455 -12.297 1.00 0.00 C ATOM 0 H ALA A 32 -7.506 4.861 -13.480 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.903 6.459 -11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.618 7.267 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.743 5.499 -11.877 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.718 6.526 -13.331 1.00 0.00 H new ATOM 452 N ASP A 33 -8.486 7.956 -14.009 1.00 0.00 N ATOM 453 CA ASP A 33 -8.952 9.197 -14.617 1.00 0.00 C ATOM 454 C ASP A 33 -10.409 9.466 -14.254 1.00 0.00 C ATOM 455 O ASP A 33 -10.910 10.575 -14.434 1.00 0.00 O ATOM 456 CB ASP A 33 -8.795 9.136 -16.138 1.00 0.00 C ATOM 457 CG ASP A 33 -7.431 8.627 -16.559 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.432 9.337 -16.318 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.362 7.518 -17.128 1.00 0.00 O ATOM 0 H ASP A 33 -8.544 7.140 -14.618 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.343 10.014 -14.229 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.566 8.487 -16.554 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.954 10.130 -16.557 1.00 0.00 H new ATOM 464 N GLY A 34 -11.085 8.442 -13.743 1.00 0.00 N ATOM 465 CA GLY A 34 -12.479 8.587 -13.364 1.00 0.00 C ATOM 466 C GLY A 34 -13.411 7.810 -14.271 1.00 0.00 C ATOM 467 O GLY A 34 -14.576 7.593 -13.938 1.00 0.00 O ATOM 0 H GLY A 34 -10.692 7.514 -13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.610 8.247 -12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.751 9.642 -13.388 1.00 0.00 H new ATOM 471 N LYS A 35 -12.899 7.391 -15.424 1.00 0.00 N ATOM 472 CA LYS A 35 -13.693 6.633 -16.384 1.00 0.00 C ATOM 473 C LYS A 35 -14.364 5.439 -15.713 1.00 0.00 C ATOM 474 O LYS A 35 -13.692 4.530 -15.225 1.00 0.00 O ATOM 475 CB LYS A 35 -12.812 6.154 -17.540 1.00 0.00 C ATOM 476 CG LYS A 35 -13.554 6.031 -18.859 1.00 0.00 C ATOM 477 CD LYS A 35 -12.598 6.044 -20.040 1.00 0.00 C ATOM 478 CE LYS A 35 -12.227 7.463 -20.442 1.00 0.00 C ATOM 479 NZ LYS A 35 -11.493 7.499 -21.737 1.00 0.00 N ATOM 0 H LYS A 35 -11.937 7.564 -15.716 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.469 7.290 -16.775 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.980 6.848 -17.664 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.383 5.186 -17.282 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.132 5.107 -18.868 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.264 6.852 -18.956 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.695 5.489 -19.785 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.057 5.533 -20.886 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.131 8.066 -20.520 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.611 7.912 -19.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.258 8.484 -21.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.617 6.944 -21.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.090 7.094 -22.486 1.00 0.00 H new ATOM 493 N VAL A 36 -15.693 5.446 -15.694 1.00 0.00 N ATOM 494 CA VAL A 36 -16.454 4.362 -15.086 1.00 0.00 C ATOM 495 C VAL A 36 -16.399 3.102 -15.944 1.00 0.00 C ATOM 496 O VAL A 36 -16.369 3.176 -17.172 1.00 0.00 O ATOM 497 CB VAL A 36 -17.927 4.760 -14.874 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.661 4.821 -16.205 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.610 3.789 -13.923 1.00 0.00 C ATOM 0 H VAL A 36 -16.265 6.191 -16.093 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.996 4.159 -14.118 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.956 5.753 -14.425 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.700 5.104 -16.035 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.185 5.560 -16.850 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.625 3.843 -16.685 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.650 4.086 -13.785 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.572 2.783 -14.341 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -18.098 3.802 -12.961 1.00 0.00 H new ATOM 509 N PHE A 37 -16.385 1.947 -15.288 1.00 0.00 N ATOM 510 CA PHE A 37 -16.333 0.670 -15.990 1.00 0.00 C ATOM 511 C PHE A 37 -17.412 -0.279 -15.476 1.00 0.00 C ATOM 512 O PHE A 37 -18.233 0.094 -14.638 1.00 0.00 O ATOM 513 CB PHE A 37 -14.953 0.029 -15.825 1.00 0.00 C ATOM 514 CG PHE A 37 -13.984 0.405 -16.908 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.480 1.693 -16.989 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.576 -0.530 -17.846 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.587 2.043 -17.985 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.683 -0.186 -18.844 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.189 1.102 -18.914 1.00 0.00 C ATOM 0 H PHE A 37 -16.409 1.869 -14.271 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.515 0.858 -17.048 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.539 0.321 -14.860 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.064 -1.055 -15.809 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.788 2.433 -16.265 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -13.960 -1.538 -17.797 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.201 3.051 -18.036 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.372 -0.924 -19.568 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.493 1.373 -19.694 1.00 0.00 H new ATOM 529 N ASP A 38 -17.404 -1.506 -15.984 1.00 0.00 N ATOM 530 CA ASP A 38 -18.381 -2.509 -15.577 1.00 0.00 C ATOM 531 C ASP A 38 -18.342 -2.723 -14.067 1.00 0.00 C ATOM 532 O ASP A 38 -17.270 -2.846 -13.475 1.00 0.00 O ATOM 533 CB ASP A 38 -18.117 -3.831 -16.299 1.00 0.00 C ATOM 534 CG ASP A 38 -19.379 -4.650 -16.487 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.348 -4.121 -17.071 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.398 -5.819 -16.051 1.00 0.00 O ATOM 0 H ASP A 38 -16.731 -1.830 -16.679 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.372 -2.147 -15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.671 -3.627 -17.273 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.391 -4.413 -15.731 1.00 0.00 H new ATOM 541 N SER A 39 -19.519 -2.764 -13.450 1.00 0.00 N ATOM 542 CA SER A 39 -19.620 -2.958 -12.009 1.00 0.00 C ATOM 543 C SER A 39 -20.487 -4.171 -11.683 1.00 0.00 C ATOM 544 O SER A 39 -21.305 -4.600 -12.497 1.00 0.00 O ATOM 545 CB SER A 39 -20.201 -1.709 -11.344 1.00 0.00 C ATOM 546 OG SER A 39 -21.617 -1.710 -11.405 1.00 0.00 O ATOM 0 H SER A 39 -20.416 -2.665 -13.926 1.00 0.00 H new ATOM 0 HA SER A 39 -18.617 -3.135 -11.620 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.879 -1.664 -10.304 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.813 -0.817 -11.837 1.00 0.00 H new ATOM 0 HG SER A 39 -21.964 -0.902 -10.972 1.00 0.00 H new ATOM 552 N SER A 40 -20.301 -4.719 -10.486 1.00 0.00 N ATOM 553 CA SER A 40 -21.062 -5.885 -10.053 1.00 0.00 C ATOM 554 C SER A 40 -22.464 -5.482 -9.606 1.00 0.00 C ATOM 555 O SER A 40 -23.406 -6.270 -9.695 1.00 0.00 O ATOM 556 CB SER A 40 -20.336 -6.599 -8.912 1.00 0.00 C ATOM 557 OG SER A 40 -21.023 -6.429 -7.684 1.00 0.00 O ATOM 0 H SER A 40 -19.630 -4.374 -9.799 1.00 0.00 H new ATOM 0 HA SER A 40 -21.151 -6.566 -10.900 1.00 0.00 H new ATOM 0 HB2 SER A 40 -20.250 -7.661 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 -19.322 -6.209 -8.822 1.00 0.00 H new ATOM 0 HG SER A 40 -20.377 -6.238 -6.972 1.00 0.00 H new ATOM 668 N PHE A 47 -20.254 -9.385 -4.918 1.00 0.00 N ATOM 669 CA PHE A 47 -19.252 -10.438 -5.040 1.00 0.00 C ATOM 670 C PHE A 47 -18.785 -10.907 -3.666 1.00 0.00 C ATOM 671 O PHE A 47 -18.327 -10.108 -2.848 1.00 0.00 O ATOM 672 CB PHE A 47 -18.056 -9.940 -5.855 1.00 0.00 C ATOM 673 CG PHE A 47 -17.356 -11.028 -6.618 1.00 0.00 C ATOM 674 CD1 PHE A 47 -17.852 -11.470 -7.834 1.00 0.00 C ATOM 675 CD2 PHE A 47 -16.202 -11.610 -6.118 1.00 0.00 C ATOM 676 CE1 PHE A 47 -17.210 -12.471 -8.538 1.00 0.00 C ATOM 677 CE2 PHE A 47 -15.555 -12.610 -6.818 1.00 0.00 C ATOM 678 CZ PHE A 47 -16.061 -13.042 -8.029 1.00 0.00 C ATOM 0 HA PHE A 47 -19.709 -11.282 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -18.396 -9.177 -6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -17.343 -9.461 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -18.751 -11.027 -8.236 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.804 -11.278 -5.170 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.607 -12.806 -9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.655 -13.054 -6.419 1.00 0.00 H new ATOM 0 HZ PHE A 47 -15.558 -13.825 -8.577 1.00 0.00 H new ATOM 688 N ARG A 48 -18.906 -12.207 -3.418 1.00 0.00 N ATOM 689 CA ARG A 48 -18.498 -12.783 -2.142 1.00 0.00 C ATOM 690 C ARG A 48 -17.292 -13.701 -2.321 1.00 0.00 C ATOM 691 O ARG A 48 -17.214 -14.461 -3.286 1.00 0.00 O ATOM 692 CB ARG A 48 -19.657 -13.562 -1.517 1.00 0.00 C ATOM 693 CG ARG A 48 -20.209 -14.657 -2.414 1.00 0.00 C ATOM 694 CD ARG A 48 -20.575 -15.899 -1.616 1.00 0.00 C ATOM 695 NE ARG A 48 -20.636 -17.091 -2.457 1.00 0.00 N ATOM 696 CZ ARG A 48 -20.704 -18.327 -1.976 1.00 0.00 C ATOM 697 NH1 ARG A 48 -20.721 -18.532 -0.666 1.00 0.00 N ATOM 698 NH2 ARG A 48 -20.757 -19.362 -2.805 1.00 0.00 N ATOM 0 H ARG A 48 -19.283 -12.881 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 48 -18.216 -11.967 -1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -19.321 -14.006 -0.580 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.460 -12.867 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -21.090 -14.289 -2.940 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.470 -14.915 -3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -19.841 -16.051 -0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.540 -15.747 -1.131 1.00 0.00 H new ATOM 0 HE ARG A 48 -20.626 -16.968 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.682 -17.739 -0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.773 -19.482 -0.299 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.746 -19.209 -3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -20.809 -20.311 -2.434 1.00 0.00 H new ATOM 712 N PHE A 49 -16.353 -13.624 -1.383 1.00 0.00 N ATOM 713 CA PHE A 49 -15.150 -14.446 -1.437 1.00 0.00 C ATOM 714 C PHE A 49 -14.458 -14.487 -0.078 1.00 0.00 C ATOM 715 O PHE A 49 -14.770 -13.699 0.815 1.00 0.00 O ATOM 716 CB PHE A 49 -14.186 -13.908 -2.497 1.00 0.00 C ATOM 717 CG PHE A 49 -13.647 -12.543 -2.180 1.00 0.00 C ATOM 718 CD1 PHE A 49 -12.523 -12.396 -1.383 1.00 0.00 C ATOM 719 CD2 PHE A 49 -14.264 -11.407 -2.678 1.00 0.00 C ATOM 720 CE1 PHE A 49 -12.026 -11.140 -1.089 1.00 0.00 C ATOM 721 CE2 PHE A 49 -13.771 -10.149 -2.387 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.650 -10.016 -1.592 1.00 0.00 C ATOM 0 H PHE A 49 -16.402 -13.001 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.445 -15.460 -1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.353 -14.603 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.699 -13.873 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.030 -13.272 -0.987 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -15.141 -11.506 -3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -11.150 -11.038 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -14.262 -9.271 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.262 -9.034 -1.364 1.00 0.00 H new ATOM 732 N THR A 50 -13.515 -15.413 0.072 1.00 0.00 N ATOM 733 CA THR A 50 -12.779 -15.559 1.321 1.00 0.00 C ATOM 734 C THR A 50 -11.591 -14.606 1.374 1.00 0.00 C ATOM 735 O THR A 50 -10.615 -14.774 0.642 1.00 0.00 O ATOM 736 CB THR A 50 -12.275 -17.002 1.510 1.00 0.00 C ATOM 737 OG1 THR A 50 -13.383 -17.909 1.540 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.473 -17.131 2.796 1.00 0.00 C ATOM 0 H THR A 50 -13.244 -16.073 -0.657 1.00 0.00 H new ATOM 0 HA THR A 50 -13.472 -15.316 2.127 1.00 0.00 H new ATOM 0 HB THR A 50 -11.627 -17.249 0.669 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.053 -18.824 1.659 1.00 0.00 H new ATOM 0 HG21 THR A 50 -11.128 -18.159 2.908 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.614 -16.462 2.758 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.102 -16.865 3.645 1.00 0.00 H new ATOM 746 N VAL A 51 -11.679 -13.605 2.244 1.00 0.00 N ATOM 747 CA VAL A 51 -10.609 -12.626 2.394 1.00 0.00 C ATOM 748 C VAL A 51 -9.323 -13.286 2.879 1.00 0.00 C ATOM 749 O VAL A 51 -9.203 -13.648 4.049 1.00 0.00 O ATOM 750 CB VAL A 51 -11.004 -11.510 3.378 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.981 -10.384 3.348 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.395 -10.985 3.059 1.00 0.00 C ATOM 0 H VAL A 51 -12.480 -13.451 2.856 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.440 -12.189 1.410 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.020 -11.928 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.277 -9.604 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.003 -10.774 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.929 -9.966 2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.657 -10.197 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.409 -10.584 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -13.117 -11.797 3.138 1.00 0.00 H new ATOM 762 N GLY A 52 -8.364 -13.439 1.972 1.00 0.00 N ATOM 763 CA GLY A 52 -7.099 -14.056 2.327 1.00 0.00 C ATOM 764 C GLY A 52 -6.825 -15.317 1.531 1.00 0.00 C ATOM 765 O GLY A 52 -5.691 -15.795 1.484 1.00 0.00 O ATOM 0 H GLY A 52 -8.440 -13.147 0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.291 -13.343 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.101 -14.295 3.391 1.00 0.00 H new ATOM 769 N ARG A 53 -7.865 -15.858 0.905 1.00 0.00 N ATOM 770 CA ARG A 53 -7.731 -17.072 0.111 1.00 0.00 C ATOM 771 C ARG A 53 -7.013 -16.785 -1.204 1.00 0.00 C ATOM 772 O ARG A 53 -6.688 -15.638 -1.509 1.00 0.00 O ATOM 773 CB ARG A 53 -9.108 -17.678 -0.170 1.00 0.00 C ATOM 774 CG ARG A 53 -9.517 -18.749 0.828 1.00 0.00 C ATOM 775 CD ARG A 53 -8.706 -20.022 0.643 1.00 0.00 C ATOM 776 NE ARG A 53 -9.324 -21.166 1.308 1.00 0.00 N ATOM 777 CZ ARG A 53 -8.811 -22.391 1.291 1.00 0.00 C ATOM 778 NH1 ARG A 53 -7.677 -22.630 0.646 1.00 0.00 N ATOM 779 NH2 ARG A 53 -9.432 -23.381 1.920 1.00 0.00 N ATOM 0 H ARG A 53 -8.810 -15.474 0.933 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.137 -17.785 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.854 -16.883 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.109 -18.107 -1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.381 -18.374 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.578 -18.972 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.602 -20.234 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.701 -19.872 1.038 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.197 -21.016 1.813 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.196 -21.872 0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.285 -23.572 0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.304 -23.202 2.417 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.037 -24.321 1.906 1.00 0.00 H new ATOM 793 N GLY A 54 -6.767 -17.837 -1.981 1.00 0.00 N ATOM 794 CA GLY A 54 -6.088 -17.677 -3.253 1.00 0.00 C ATOM 795 C GLY A 54 -7.052 -17.636 -4.423 1.00 0.00 C ATOM 796 O GLY A 54 -6.685 -17.971 -5.549 1.00 0.00 O ATOM 0 H GLY A 54 -7.026 -18.796 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.503 -16.758 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.386 -18.499 -3.393 1.00 0.00 H new ATOM 800 N GLU A 55 -8.287 -17.224 -4.156 1.00 0.00 N ATOM 801 CA GLU A 55 -9.306 -17.144 -5.196 1.00 0.00 C ATOM 802 C GLU A 55 -9.424 -15.720 -5.732 1.00 0.00 C ATOM 803 O GLU A 55 -9.902 -15.502 -6.846 1.00 0.00 O ATOM 804 CB GLU A 55 -10.659 -17.610 -4.653 1.00 0.00 C ATOM 805 CG GLU A 55 -10.599 -18.949 -3.939 1.00 0.00 C ATOM 806 CD GLU A 55 -11.942 -19.653 -3.906 1.00 0.00 C ATOM 807 OE1 GLU A 55 -12.585 -19.753 -4.972 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.349 -20.104 -2.815 1.00 0.00 O ATOM 0 H GLU A 55 -8.606 -16.941 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.006 -17.799 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.043 -16.857 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.368 -17.679 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.870 -19.589 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.247 -18.797 -2.919 1.00 0.00 H new ATOM 815 N VAL A 56 -8.987 -14.754 -4.931 1.00 0.00 N ATOM 816 CA VAL A 56 -9.042 -13.351 -5.324 1.00 0.00 C ATOM 817 C VAL A 56 -7.643 -12.784 -5.538 1.00 0.00 C ATOM 818 O VAL A 56 -6.648 -13.498 -5.412 1.00 0.00 O ATOM 819 CB VAL A 56 -9.773 -12.500 -4.268 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.267 -12.784 -4.295 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.197 -12.760 -2.884 1.00 0.00 C ATOM 0 H VAL A 56 -8.591 -14.917 -4.005 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.596 -13.307 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.623 -11.447 -4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.767 -12.174 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.665 -12.543 -5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.441 -13.839 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.725 -12.151 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.315 -13.814 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.138 -12.501 -2.876 1.00 0.00 H new ATOM 831 N ILE A 57 -7.575 -11.497 -5.861 1.00 0.00 N ATOM 832 CA ILE A 57 -6.297 -10.834 -6.090 1.00 0.00 C ATOM 833 C ILE A 57 -5.820 -10.112 -4.835 1.00 0.00 C ATOM 834 O ILE A 57 -6.610 -9.812 -3.940 1.00 0.00 O ATOM 835 CB ILE A 57 -6.388 -9.822 -7.247 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.552 -8.855 -7.018 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.549 -10.548 -8.574 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.315 -7.477 -7.596 1.00 0.00 C ATOM 0 H ILE A 57 -8.389 -10.893 -5.970 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.580 -11.612 -6.353 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.463 -9.246 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.455 -9.275 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.734 -8.765 -5.947 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.612 -9.819 -9.382 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.691 -11.199 -8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.460 -11.146 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.180 -6.845 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.430 -7.037 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.163 -7.555 -8.673 1.00 0.00 H new ATOM 850 N ARG A 58 -4.521 -9.835 -4.776 1.00 0.00 N ATOM 851 CA ARG A 58 -3.937 -9.147 -3.630 1.00 0.00 C ATOM 852 C ARG A 58 -4.711 -7.872 -3.310 1.00 0.00 C ATOM 853 O ARG A 58 -5.045 -7.610 -2.155 1.00 0.00 O ATOM 854 CB ARG A 58 -2.470 -8.811 -3.904 1.00 0.00 C ATOM 855 CG ARG A 58 -1.632 -10.017 -4.295 1.00 0.00 C ATOM 856 CD ARG A 58 -0.214 -9.909 -3.756 1.00 0.00 C ATOM 857 NE ARG A 58 -0.168 -10.056 -2.304 1.00 0.00 N ATOM 858 CZ ARG A 58 -0.296 -11.221 -1.679 1.00 0.00 C ATOM 859 NH1 ARG A 58 -0.476 -12.335 -2.375 1.00 0.00 N ATOM 860 NH2 ARG A 58 -0.243 -11.274 -0.354 1.00 0.00 N ATOM 0 H ARG A 58 -3.853 -10.076 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.995 -9.813 -2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.419 -8.070 -4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.039 -8.353 -3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.099 -10.925 -3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.604 -10.105 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.409 -10.675 -4.218 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.208 -8.944 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.030 -9.218 -1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.517 -12.299 -3.394 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.574 -13.228 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.104 -10.420 0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.341 -12.169 0.125 1.00 0.00 H new ATOM 874 N GLY A 59 -4.993 -7.082 -4.341 1.00 0.00 N ATOM 875 CA GLY A 59 -5.725 -5.843 -4.149 1.00 0.00 C ATOM 876 C GLY A 59 -6.983 -6.035 -3.326 1.00 0.00 C ATOM 877 O GLY A 59 -7.113 -5.474 -2.238 1.00 0.00 O ATOM 0 H GLY A 59 -4.728 -7.278 -5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.080 -5.116 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.990 -5.427 -5.121 1.00 0.00 H new ATOM 881 N TRP A 60 -7.913 -6.828 -3.847 1.00 0.00 N ATOM 882 CA TRP A 60 -9.169 -7.091 -3.154 1.00 0.00 C ATOM 883 C TRP A 60 -8.914 -7.585 -1.734 1.00 0.00 C ATOM 884 O TRP A 60 -9.576 -7.156 -0.789 1.00 0.00 O ATOM 885 CB TRP A 60 -9.995 -8.121 -3.925 1.00 0.00 C ATOM 886 CG TRP A 60 -10.816 -7.520 -5.026 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.772 -6.230 -5.470 1.00 0.00 C ATOM 888 CD2 TRP A 60 -11.805 -8.186 -5.818 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.674 -6.053 -6.492 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.320 -7.238 -6.725 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.305 -9.490 -5.852 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.309 -7.556 -7.652 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.287 -9.804 -6.772 1.00 0.00 C ATOM 894 CH2 TRP A 60 -13.780 -8.840 -7.662 1.00 0.00 C ATOM 0 H TRP A 60 -7.821 -7.300 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.727 -6.156 -3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.326 -8.870 -4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.656 -8.640 -3.230 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.124 -5.461 -5.076 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.836 -5.181 -6.995 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -11.930 -10.240 -5.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -13.691 -6.815 -8.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -13.681 -10.809 -6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -14.547 -9.117 -8.370 1.00 0.00 H new ATOM 905 N ASP A 61 -7.951 -8.489 -1.591 1.00 0.00 N ATOM 906 CA ASP A 61 -7.608 -9.041 -0.286 1.00 0.00 C ATOM 907 C ASP A 61 -7.397 -7.928 0.736 1.00 0.00 C ATOM 908 O ASP A 61 -8.116 -7.843 1.731 1.00 0.00 O ATOM 909 CB ASP A 61 -6.348 -9.902 -0.387 1.00 0.00 C ATOM 910 CG ASP A 61 -6.319 -11.011 0.646 1.00 0.00 C ATOM 911 OD1 ASP A 61 -7.154 -10.978 1.574 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.461 -11.911 0.528 1.00 0.00 O ATOM 0 H ASP A 61 -7.394 -8.855 -2.363 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.438 -9.664 0.047 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.288 -10.337 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.469 -9.270 -0.262 1.00 0.00 H new ATOM 917 N GLU A 62 -6.406 -7.079 0.483 1.00 0.00 N ATOM 918 CA GLU A 62 -6.100 -5.973 1.383 1.00 0.00 C ATOM 919 C GLU A 62 -7.265 -4.990 1.453 1.00 0.00 C ATOM 920 O GLU A 62 -7.671 -4.568 2.534 1.00 0.00 O ATOM 921 CB GLU A 62 -4.833 -5.248 0.923 1.00 0.00 C ATOM 922 CG GLU A 62 -3.551 -5.871 1.447 1.00 0.00 C ATOM 923 CD GLU A 62 -3.246 -5.466 2.876 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.710 -4.356 3.076 1.00 0.00 O ATOM 925 OE2 GLU A 62 -3.543 -6.259 3.794 1.00 0.00 O ATOM 0 H GLU A 62 -5.802 -7.136 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.934 -6.384 2.379 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.804 -5.240 -0.167 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.881 -4.209 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.630 -6.957 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.720 -5.578 0.805 1.00 0.00 H new ATOM 932 N GLY A 63 -7.798 -4.630 0.289 1.00 0.00 N ATOM 933 CA GLY A 63 -8.911 -3.700 0.239 1.00 0.00 C ATOM 934 C GLY A 63 -10.067 -4.130 1.121 1.00 0.00 C ATOM 935 O GLY A 63 -10.388 -3.465 2.105 1.00 0.00 O ATOM 0 H GLY A 63 -7.479 -4.966 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.569 -2.712 0.549 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.258 -3.609 -0.790 1.00 0.00 H new ATOM 939 N VAL A 64 -10.696 -5.246 0.766 1.00 0.00 N ATOM 940 CA VAL A 64 -11.823 -5.765 1.531 1.00 0.00 C ATOM 941 C VAL A 64 -11.450 -5.959 2.996 1.00 0.00 C ATOM 942 O VAL A 64 -12.282 -5.787 3.887 1.00 0.00 O ATOM 943 CB VAL A 64 -12.322 -7.105 0.958 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.316 -8.212 1.236 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.685 -7.456 1.534 1.00 0.00 C ATOM 0 H VAL A 64 -10.444 -5.808 -0.047 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.622 -5.027 1.457 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.425 -7.003 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.685 -9.151 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.362 -7.962 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.179 -8.317 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.022 -8.406 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.611 -7.540 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.400 -6.674 1.279 1.00 0.00 H new ATOM 955 N ALA A 65 -10.193 -6.316 3.239 1.00 0.00 N ATOM 956 CA ALA A 65 -9.709 -6.531 4.597 1.00 0.00 C ATOM 957 C ALA A 65 -9.802 -5.252 5.422 1.00 0.00 C ATOM 958 O ALA A 65 -10.111 -5.292 6.612 1.00 0.00 O ATOM 959 CB ALA A 65 -8.276 -7.042 4.571 1.00 0.00 C ATOM 0 H ALA A 65 -9.492 -6.462 2.513 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.343 -7.282 5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.927 -7.198 5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.236 -7.985 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.637 -6.309 4.077 1.00 0.00 H new ATOM 965 N GLN A 66 -9.531 -4.119 4.781 1.00 0.00 N ATOM 966 CA GLN A 66 -9.583 -2.828 5.457 1.00 0.00 C ATOM 967 C GLN A 66 -10.943 -2.166 5.263 1.00 0.00 C ATOM 968 O GLN A 66 -11.105 -0.973 5.515 1.00 0.00 O ATOM 969 CB GLN A 66 -8.476 -1.910 4.935 1.00 0.00 C ATOM 970 CG GLN A 66 -7.078 -2.477 5.119 1.00 0.00 C ATOM 971 CD GLN A 66 -6.032 -1.719 4.325 1.00 0.00 C ATOM 972 OE1 GLN A 66 -5.446 -0.752 4.813 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.791 -2.156 3.094 1.00 0.00 N ATOM 0 H GLN A 66 -9.273 -4.069 3.795 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.431 -2.998 6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.644 -1.718 3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.540 -0.950 5.447 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.816 -2.451 6.177 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.072 -3.524 4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.300 -2.961 2.730 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.097 -1.686 2.513 1.00 0.00 H new ATOM 982 N MET A 67 -11.918 -2.949 4.813 1.00 0.00 N ATOM 983 CA MET A 67 -13.265 -2.439 4.586 1.00 0.00 C ATOM 984 C MET A 67 -14.196 -2.835 5.727 1.00 0.00 C ATOM 985 O MET A 67 -14.031 -3.891 6.338 1.00 0.00 O ATOM 986 CB MET A 67 -13.815 -2.963 3.258 1.00 0.00 C ATOM 987 CG MET A 67 -13.125 -2.372 2.039 1.00 0.00 C ATOM 988 SD MET A 67 -14.292 -1.723 0.827 1.00 0.00 S ATOM 989 CE MET A 67 -15.233 -0.583 1.840 1.00 0.00 C ATOM 0 H MET A 67 -11.800 -3.939 4.598 1.00 0.00 H new ATOM 0 HA MET A 67 -13.212 -1.351 4.545 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.711 -4.048 3.234 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.881 -2.744 3.204 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.455 -1.573 2.357 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.507 -3.137 1.569 1.00 0.00 H new ATOM 0 HE1 MET A 67 -15.439 0.324 1.272 1.00 0.00 H new ATOM 0 HE2 MET A 67 -16.174 -1.049 2.134 1.00 0.00 H new ATOM 0 HE3 MET A 67 -14.659 -0.330 2.732 1.00 0.00 H new ATOM 999 N SER A 68 -15.174 -1.981 6.010 1.00 0.00 N ATOM 1000 CA SER A 68 -16.129 -2.241 7.082 1.00 0.00 C ATOM 1001 C SER A 68 -17.537 -2.423 6.522 1.00 0.00 C ATOM 1002 O SER A 68 -17.927 -1.758 5.562 1.00 0.00 O ATOM 1003 CB SER A 68 -16.116 -1.094 8.095 1.00 0.00 C ATOM 1004 OG SER A 68 -16.126 0.163 7.442 1.00 0.00 O ATOM 0 H SER A 68 -15.326 -1.104 5.513 1.00 0.00 H new ATOM 0 HA SER A 68 -15.833 -3.163 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.983 -1.174 8.750 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.231 -1.172 8.726 1.00 0.00 H new ATOM 0 HG SER A 68 -15.247 0.331 7.043 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.296 -3.329 7.130 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.661 -3.599 6.695 1.00 0.00 C ATOM 1012 C VAL A 69 -20.461 -2.308 6.562 1.00 0.00 C ATOM 1013 O VAL A 69 -20.567 -1.531 7.510 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.386 -4.542 7.674 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.823 -4.769 7.231 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.641 -5.862 7.792 1.00 0.00 C ATOM 0 H VAL A 69 -17.989 -3.889 7.925 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.593 -4.082 5.720 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.404 -4.072 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.319 -5.438 7.934 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.350 -3.815 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.831 -5.217 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.167 -6.516 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.589 -6.339 6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.631 -5.678 8.160 1.00 0.00 H new ATOM 1026 N GLY A 70 -21.025 -2.087 5.378 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.810 -0.889 5.143 1.00 0.00 C ATOM 1028 C GLY A 70 -20.952 0.300 4.760 1.00 0.00 C ATOM 1029 O GLY A 70 -21.423 1.437 4.754 1.00 0.00 O ATOM 0 H GLY A 70 -20.952 -2.716 4.578 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.533 -1.082 4.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.378 -0.649 6.041 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.688 0.038 4.442 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.762 1.097 4.059 1.00 0.00 C ATOM 1035 C GLN A 71 -18.430 1.019 2.572 1.00 0.00 C ATOM 1036 O GLN A 71 -18.423 -0.062 1.984 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.478 1.005 4.885 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.726 2.322 4.991 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.232 2.158 4.797 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.478 2.043 5.763 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.795 2.147 3.543 1.00 0.00 N ATOM 0 H GLN A 71 -19.282 -0.898 4.442 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.244 2.054 4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.725 0.656 5.888 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.822 0.257 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.111 3.017 4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -16.915 2.766 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.455 2.245 2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.799 2.040 3.351 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.157 2.172 1.970 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.827 2.235 0.552 1.00 0.00 C ATOM 1052 C ARG A 72 -16.600 3.111 0.317 1.00 0.00 C ATOM 1053 O ARG A 72 -16.467 4.181 0.910 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.014 2.776 -0.247 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.727 2.936 -1.731 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.985 3.294 -2.506 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.631 4.493 -1.978 1.00 0.00 N ATOM 1058 CZ ARG A 72 -21.788 4.963 -2.429 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -22.425 4.339 -3.410 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -22.312 6.061 -1.897 1.00 0.00 N ATOM 0 H ARG A 72 -18.158 3.076 2.443 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.600 1.224 0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.863 2.104 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.308 3.742 0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.976 3.712 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.308 2.010 -2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.732 3.450 -3.555 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.684 2.459 -2.468 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.168 4.997 -1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -22.026 3.495 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -23.314 4.703 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.826 6.544 -1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -23.201 6.422 -2.244 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.705 2.648 -0.550 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.491 3.390 -0.864 1.00 0.00 C ATOM 1076 C ALA A 73 -13.902 2.940 -2.197 1.00 0.00 C ATOM 1077 O ALA A 73 -14.302 1.915 -2.750 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.468 3.223 0.250 1.00 0.00 C ATOM 0 H ALA A 73 -15.798 1.762 -1.047 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.751 4.445 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.566 3.783 0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.883 3.599 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.221 2.167 0.362 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.950 3.713 -2.709 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.305 3.395 -3.977 1.00 0.00 C ATOM 1086 C LYS A 74 -11.025 2.597 -3.751 1.00 0.00 C ATOM 1087 O LYS A 74 -10.129 3.033 -3.026 1.00 0.00 O ATOM 1088 CB LYS A 74 -11.989 4.679 -4.749 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.058 5.060 -5.759 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.463 5.794 -6.949 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.460 6.770 -7.555 1.00 0.00 C ATOM 1092 NZ LYS A 74 -13.078 7.163 -8.940 1.00 0.00 N ATOM 0 H LYS A 74 -12.608 4.565 -2.264 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.993 2.786 -4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.862 5.497 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.038 4.557 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.571 4.162 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.806 5.690 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.569 6.333 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.152 5.073 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.451 6.317 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.524 7.660 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.782 7.829 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.143 7.618 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.042 6.317 -9.544 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.944 1.428 -4.377 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.772 0.570 -4.246 1.00 0.00 C ATOM 1108 C LEU A 75 -8.824 0.758 -5.426 1.00 0.00 C ATOM 1109 O LEU A 75 -8.992 0.138 -6.476 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.197 -0.896 -4.147 1.00 0.00 C ATOM 1111 CG LEU A 75 -9.168 -1.855 -3.547 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.811 -1.436 -2.129 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.694 -3.283 -3.567 1.00 0.00 C ATOM 0 H LEU A 75 -11.676 1.053 -4.980 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.247 0.852 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.106 -0.950 -3.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.452 -1.248 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.264 -1.814 -4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.078 -2.130 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.391 -0.430 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.708 -1.447 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.948 -3.951 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.613 -3.340 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.898 -3.581 -4.595 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.825 1.616 -5.245 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.848 1.884 -6.294 1.00 0.00 C ATOM 1127 C VAL A 76 -5.562 1.099 -6.059 1.00 0.00 C ATOM 1128 O VAL A 76 -4.746 1.463 -5.211 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.512 3.384 -6.378 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.152 3.930 -5.005 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.381 3.622 -7.368 1.00 0.00 C ATOM 0 H VAL A 76 -7.671 2.137 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.298 1.567 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.395 3.916 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.918 4.991 -5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.995 3.795 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.285 3.396 -4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.157 4.688 -7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.494 3.078 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.682 3.271 -8.355 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.387 0.021 -6.816 1.00 0.00 N ATOM 1142 CA CYS A 77 -4.200 -0.817 -6.691 1.00 0.00 C ATOM 1143 C CYS A 77 -3.523 -1.006 -8.045 1.00 0.00 C ATOM 1144 O CYS A 77 -4.126 -0.765 -9.090 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.570 -2.176 -6.097 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.599 -3.198 -7.177 1.00 0.00 S ATOM 0 H CYS A 77 -6.052 -0.293 -7.523 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.500 -0.316 -6.022 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.655 -2.720 -5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -5.096 -2.018 -5.155 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.502 -3.807 -6.467 1.00 0.00 H new ATOM 1152 N SER A 78 -2.266 -1.438 -8.017 1.00 0.00 N ATOM 1153 CA SER A 78 -1.505 -1.655 -9.242 1.00 0.00 C ATOM 1154 C SER A 78 -1.842 -3.010 -9.858 1.00 0.00 C ATOM 1155 O SER A 78 -2.447 -3.875 -9.225 1.00 0.00 O ATOM 1156 CB SER A 78 -0.004 -1.571 -8.956 1.00 0.00 C ATOM 1157 OG SER A 78 0.244 -1.443 -7.567 1.00 0.00 O ATOM 0 H SER A 78 -1.753 -1.645 -7.160 1.00 0.00 H new ATOM 0 HA SER A 78 -1.777 -0.875 -9.953 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.492 -2.464 -9.336 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.423 -0.719 -9.485 1.00 0.00 H new ATOM 0 HG SER A 78 1.210 -1.393 -7.410 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.440 -3.199 -11.124 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.687 -4.446 -11.854 1.00 0.00 C ATOM 1165 C PRO A 79 -0.860 -5.607 -11.315 1.00 0.00 C ATOM 1166 O PRO A 79 -1.244 -6.770 -11.449 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.264 -4.107 -13.286 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.273 -3.005 -13.138 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.714 -2.211 -11.939 1.00 0.00 C ATOM 0 HA PRO A 79 -2.724 -4.772 -11.766 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.824 -4.971 -13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.118 -3.794 -13.887 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.733 -3.401 -12.996 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -0.247 -2.381 -14.031 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.136 -1.792 -11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.354 -1.376 -12.223 1.00 0.00 H new ATOM 1177 N ASP A 80 0.275 -5.286 -10.704 1.00 0.00 N ATOM 1178 CA ASP A 80 1.156 -6.304 -10.143 1.00 0.00 C ATOM 1179 C ASP A 80 0.451 -7.082 -9.036 1.00 0.00 C ATOM 1180 O ASP A 80 0.780 -8.238 -8.770 1.00 0.00 O ATOM 1181 CB ASP A 80 2.431 -5.660 -9.597 1.00 0.00 C ATOM 1182 CG ASP A 80 3.363 -5.196 -10.700 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.721 -6.025 -11.562 1.00 0.00 O ATOM 1184 OD2 ASP A 80 3.733 -4.004 -10.701 1.00 0.00 O ATOM 0 H ASP A 80 0.607 -4.329 -10.584 1.00 0.00 H new ATOM 0 HA ASP A 80 1.421 -6.999 -10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.165 -4.810 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.953 -6.376 -8.961 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.519 -6.440 -8.394 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.268 -7.071 -7.314 1.00 0.00 C ATOM 1191 C TYR A 81 -2.693 -7.393 -7.755 1.00 0.00 C ATOM 1192 O TYR A 81 -3.567 -7.649 -6.928 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.296 -6.161 -6.085 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.181 -6.437 -5.102 1.00 0.00 C ATOM 1195 CD1 TYR A 81 1.098 -6.755 -5.542 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.406 -6.379 -3.732 1.00 0.00 C ATOM 1197 CE1 TYR A 81 2.119 -7.009 -4.647 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.609 -6.630 -2.829 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.870 -6.945 -3.292 1.00 0.00 C ATOM 1200 OH TYR A 81 2.885 -7.196 -2.397 1.00 0.00 O ATOM 0 H TYR A 81 -0.805 -5.483 -8.603 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.767 -8.004 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.233 -5.123 -6.411 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.254 -6.279 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 81 1.297 -6.804 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.392 -6.133 -3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 81 3.107 -7.256 -5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.417 -6.580 -1.767 1.00 0.00 H new ATOM 0 HH TYR A 81 2.544 -7.109 -1.482 1.00 0.00 H new ATOM 1210 N ALA A 82 -2.918 -7.377 -9.064 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.235 -7.669 -9.617 1.00 0.00 C ATOM 1212 C ALA A 82 -4.122 -8.291 -11.005 1.00 0.00 C ATOM 1213 O ALA A 82 -3.042 -8.710 -11.422 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.077 -6.404 -9.670 1.00 0.00 C ATOM 0 H ALA A 82 -2.205 -7.165 -9.762 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.725 -8.391 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.058 -6.637 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.195 -6.003 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.583 -5.664 -10.300 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.243 -8.349 -11.714 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.271 -8.922 -13.055 1.00 0.00 C ATOM 1222 C TYR A 83 -5.038 -7.848 -14.112 1.00 0.00 C ATOM 1223 O TYR A 83 -5.314 -8.053 -15.293 1.00 0.00 O ATOM 1224 CB TYR A 83 -6.609 -9.620 -13.306 1.00 0.00 C ATOM 1225 CG TYR A 83 -7.806 -8.813 -12.855 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.085 -7.574 -13.417 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.659 -9.292 -11.868 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -9.177 -6.834 -13.008 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.754 -8.559 -11.454 1.00 0.00 C ATOM 1230 CZ TYR A 83 -10.009 -7.331 -12.026 1.00 0.00 C ATOM 1231 OH TYR A 83 -11.099 -6.597 -11.616 1.00 0.00 O ATOM 0 H TYR A 83 -6.145 -8.006 -11.383 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.467 -9.655 -13.126 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.705 -9.832 -14.371 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.612 -10.579 -12.788 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.437 -7.182 -14.187 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.462 -10.253 -11.417 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.379 -5.871 -13.454 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.407 -8.946 -10.686 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.931 -5.645 -11.777 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.527 -6.700 -13.678 1.00 0.00 N ATOM 1242 CA GLY A 84 -4.264 -5.609 -14.599 1.00 0.00 C ATOM 1243 C GLY A 84 -3.121 -5.913 -15.546 1.00 0.00 C ATOM 1244 O GLY A 84 -3.034 -5.336 -16.630 1.00 0.00 O ATOM 0 H GLY A 84 -4.290 -6.506 -12.705 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.164 -5.400 -15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -4.032 -4.707 -14.032 1.00 0.00 H new ATOM 1248 N SER A 85 -2.241 -6.821 -15.137 1.00 0.00 N ATOM 1249 CA SER A 85 -1.093 -7.197 -15.955 1.00 0.00 C ATOM 1250 C SER A 85 -1.525 -7.507 -17.385 1.00 0.00 C ATOM 1251 O SER A 85 -1.244 -6.744 -18.309 1.00 0.00 O ATOM 1252 CB SER A 85 -0.384 -8.410 -15.350 1.00 0.00 C ATOM 1253 OG SER A 85 0.182 -8.093 -14.090 1.00 0.00 O ATOM 0 H SER A 85 -2.301 -7.310 -14.244 1.00 0.00 H new ATOM 0 HA SER A 85 -0.401 -6.355 -15.977 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.092 -9.231 -15.238 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.398 -8.754 -16.027 1.00 0.00 H new ATOM 0 HG SER A 85 -0.514 -7.736 -13.499 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.209 -8.633 -17.560 1.00 0.00 N ATOM 1260 CA ARG A 86 -2.678 -9.046 -18.877 1.00 0.00 C ATOM 1261 C ARG A 86 -3.767 -8.106 -19.385 1.00 0.00 C ATOM 1262 O ARG A 86 -3.627 -7.491 -20.441 1.00 0.00 O ATOM 1263 CB ARG A 86 -3.210 -10.479 -18.826 1.00 0.00 C ATOM 1264 CG ARG A 86 -3.144 -11.202 -20.161 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.336 -10.858 -21.040 1.00 0.00 C ATOM 1266 NE ARG A 86 -4.574 -11.873 -22.063 1.00 0.00 N ATOM 1267 CZ ARG A 86 -5.059 -13.082 -21.800 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -5.357 -13.423 -20.554 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -5.247 -13.951 -22.784 1.00 0.00 N ATOM 0 H ARG A 86 -2.451 -9.276 -16.806 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.834 -9.003 -19.566 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.639 -11.043 -18.088 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.244 -10.461 -18.483 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.221 -10.934 -20.676 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.114 -12.278 -19.992 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.226 -10.754 -20.419 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.167 -9.894 -21.519 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.356 -11.641 -23.032 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.214 -12.757 -19.795 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.729 -14.351 -20.354 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.019 -13.692 -23.744 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.619 -14.879 -22.581 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.853 -8.000 -18.625 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.950 -7.133 -19.016 1.00 0.00 C ATOM 1285 C GLY A 87 -6.621 -7.589 -20.296 1.00 0.00 C ATOM 1286 O GLY A 87 -6.376 -8.697 -20.774 1.00 0.00 O ATOM 0 H GLY A 87 -4.993 -8.499 -17.746 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.688 -7.101 -18.214 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.577 -6.117 -19.147 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.472 -6.733 -20.853 1.00 0.00 N ATOM 1291 CA HIS A 88 -8.182 -7.054 -22.086 1.00 0.00 C ATOM 1292 C HIS A 88 -8.492 -5.788 -22.880 1.00 0.00 C ATOM 1293 O HIS A 88 -8.543 -4.684 -22.338 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.477 -7.804 -21.773 1.00 0.00 C ATOM 1295 CG HIS A 88 -9.367 -9.287 -21.952 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.787 -10.117 -21.016 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.770 -10.089 -22.965 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.835 -11.365 -21.447 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -9.428 -11.376 -22.627 1.00 0.00 N ATOM 0 H HIS A 88 -7.687 -5.812 -20.470 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.539 -7.693 -22.691 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.772 -7.591 -20.745 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.271 -7.426 -22.417 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -8.384 -9.815 -20.129 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.268 -9.776 -23.871 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -8.454 -12.229 -20.923 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.705 -5.950 -24.194 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.014 -4.832 -25.090 1.00 0.00 C ATOM 1309 C PRO A 89 -10.402 -4.253 -24.837 1.00 0.00 C ATOM 1310 O PRO A 89 -11.411 -4.932 -25.022 1.00 0.00 O ATOM 1311 CB PRO A 89 -8.943 -5.463 -26.483 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.230 -6.908 -26.259 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.661 -7.238 -24.907 1.00 0.00 C ATOM 0 HA PRO A 89 -8.328 -3.996 -24.951 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.672 -5.015 -27.158 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.961 -5.320 -26.933 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.302 -7.102 -26.289 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.773 -7.522 -27.035 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.252 -8.000 -24.398 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.643 -7.621 -24.982 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.445 -2.993 -24.414 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.715 -2.345 -24.143 1.00 0.00 C ATOM 1323 C GLY A 90 -12.245 -2.663 -22.759 1.00 0.00 C ATOM 1324 O GLY A 90 -13.368 -2.293 -22.416 1.00 0.00 O ATOM 0 H GLY A 90 -9.623 -2.410 -24.254 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.598 -1.266 -24.245 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.445 -2.658 -24.889 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.437 -3.354 -21.962 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.831 -3.724 -20.608 1.00 0.00 C ATOM 1330 C VAL A 91 -10.761 -3.329 -19.597 1.00 0.00 C ATOM 1331 O VAL A 91 -11.018 -2.551 -18.678 1.00 0.00 O ATOM 1332 CB VAL A 91 -12.096 -5.237 -20.494 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.644 -5.581 -19.117 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -13.052 -5.694 -21.586 1.00 0.00 C ATOM 0 H VAL A 91 -10.505 -3.669 -22.231 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.752 -3.184 -20.388 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.151 -5.765 -20.625 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.825 -6.654 -19.055 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.921 -5.290 -18.355 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.579 -5.045 -18.953 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.228 -6.765 -21.490 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.998 -5.161 -21.488 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.616 -5.484 -22.563 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.560 -3.871 -19.772 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.450 -3.573 -18.876 1.00 0.00 C ATOM 1346 C ILE A 92 -7.175 -3.279 -19.658 1.00 0.00 C ATOM 1347 O ILE A 92 -6.814 -3.992 -20.595 1.00 0.00 O ATOM 1348 CB ILE A 92 -8.185 -4.737 -17.902 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.425 -5.009 -17.048 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.985 -4.427 -17.020 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -9.279 -6.206 -16.135 1.00 0.00 C ATOM 0 H ILE A 92 -9.331 -4.519 -20.526 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.734 -2.689 -18.305 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.963 -5.633 -18.482 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.642 -4.127 -16.445 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -10.281 -5.165 -17.704 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.811 -5.259 -16.337 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.104 -4.279 -17.644 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.180 -3.521 -16.446 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -10.195 -6.339 -15.560 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -9.093 -7.099 -16.732 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.444 -6.044 -15.454 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.474 -2.205 -19.266 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.226 -1.793 -19.915 1.00 0.00 C ATOM 1365 C PRO A 93 -4.082 -2.763 -19.640 1.00 0.00 C ATOM 1366 O PRO A 93 -4.109 -3.536 -18.683 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.934 -0.428 -19.288 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.617 -0.465 -17.965 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.846 -1.310 -18.157 1.00 0.00 C ATOM 0 HA PRO A 93 -5.320 -1.767 -21.001 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.862 -0.265 -19.176 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.316 0.383 -19.908 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.966 -0.891 -17.202 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.882 0.539 -17.634 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.094 -1.869 -17.255 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.717 -0.703 -18.405 1.00 0.00 H new ATOM 1377 N PRO A 94 -3.051 -2.722 -20.497 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.877 -3.590 -20.366 1.00 0.00 C ATOM 1379 C PRO A 94 -1.017 -3.223 -19.162 1.00 0.00 C ATOM 1380 O PRO A 94 -0.251 -2.261 -19.204 1.00 0.00 O ATOM 1381 CB PRO A 94 -1.108 -3.345 -21.667 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.524 -1.983 -22.102 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.952 -1.824 -21.661 1.00 0.00 C ATOM 0 HA PRO A 94 -2.156 -4.632 -20.209 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.031 -3.398 -21.506 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.355 -4.094 -22.420 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.890 -1.219 -21.652 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.435 -1.875 -23.183 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.177 -0.792 -21.393 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.650 -2.108 -22.449 1.00 0.00 H new ATOM 1391 N ASN A 95 -1.148 -3.996 -18.089 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.382 -3.752 -16.872 1.00 0.00 C ATOM 1393 C ASN A 95 -0.462 -2.284 -16.464 1.00 0.00 C ATOM 1394 O ASN A 95 0.549 -1.584 -16.423 1.00 0.00 O ATOM 1395 CB ASN A 95 1.079 -4.157 -17.074 1.00 0.00 C ATOM 1396 CG ASN A 95 1.223 -5.371 -17.972 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.304 -6.504 -17.495 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.256 -5.140 -19.279 1.00 0.00 N ATOM 0 H ASN A 95 -1.778 -4.797 -18.037 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.813 -4.357 -16.074 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.629 -3.321 -17.507 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.532 -4.369 -16.105 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.352 -5.918 -19.932 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.186 -4.185 -19.630 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.673 -1.824 -16.163 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.885 -0.441 -15.756 1.00 0.00 C ATOM 1407 C ALA A 96 -2.694 -0.367 -14.465 1.00 0.00 C ATOM 1408 O ALA A 96 -3.544 -1.218 -14.202 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.583 0.334 -16.863 1.00 0.00 C ATOM 0 H ALA A 96 -2.521 -2.390 -16.194 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.910 0.011 -15.570 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.735 1.365 -16.545 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.967 0.318 -17.762 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.548 -0.126 -17.076 1.00 0.00 H new ATOM 1415 N THR A 97 -2.423 0.657 -13.660 1.00 0.00 N ATOM 1416 CA THR A 97 -3.124 0.841 -12.396 1.00 0.00 C ATOM 1417 C THR A 97 -4.634 0.883 -12.605 1.00 0.00 C ATOM 1418 O THR A 97 -5.117 1.410 -13.608 1.00 0.00 O ATOM 1419 CB THR A 97 -2.679 2.136 -11.690 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.287 2.372 -11.932 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.932 2.050 -10.193 1.00 0.00 C ATOM 0 H THR A 97 -1.723 1.371 -13.862 1.00 0.00 H new ATOM 0 HA THR A 97 -2.871 -0.013 -11.767 1.00 0.00 H new ATOM 0 HB THR A 97 -3.263 2.963 -12.094 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.012 3.198 -11.481 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.610 2.976 -9.716 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.996 1.900 -10.012 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.371 1.213 -9.777 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.374 0.326 -11.654 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.830 0.301 -11.733 1.00 0.00 C ATOM 1431 C LEU A 98 -7.456 0.688 -10.397 1.00 0.00 C ATOM 1432 O LEU A 98 -6.876 0.454 -9.336 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.314 -1.089 -12.151 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.709 -1.651 -13.439 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -7.139 -3.095 -13.645 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -7.111 -0.798 -14.633 1.00 0.00 C ATOM 0 H LEU A 98 -4.990 -0.115 -10.818 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.140 1.029 -12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.102 -1.785 -11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.397 -1.055 -12.267 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.623 -1.626 -13.349 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.699 -3.478 -14.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.801 -3.699 -12.803 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.226 -3.145 -13.714 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.672 -1.212 -15.540 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.197 -0.791 -14.726 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.753 0.221 -14.489 1.00 0.00 H new ATOM 1448 N THR A 99 -8.644 1.282 -10.456 1.00 0.00 N ATOM 1449 CA THR A 99 -9.349 1.701 -9.251 1.00 0.00 C ATOM 1450 C THR A 99 -10.775 1.163 -9.233 1.00 0.00 C ATOM 1451 O THR A 99 -11.659 1.697 -9.903 1.00 0.00 O ATOM 1452 CB THR A 99 -9.390 3.236 -9.130 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.077 3.777 -9.309 1.00 0.00 O ATOM 1454 CG2 THR A 99 -9.937 3.657 -7.774 1.00 0.00 C ATOM 0 H THR A 99 -9.138 1.484 -11.325 1.00 0.00 H new ATOM 0 HA THR A 99 -8.799 1.291 -8.404 1.00 0.00 H new ATOM 0 HB THR A 99 -10.050 3.622 -9.907 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.112 4.753 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.957 4.745 -7.711 1.00 0.00 H new ATOM 0 HG22 THR A 99 -10.948 3.268 -7.653 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.299 3.260 -6.985 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.993 0.102 -8.462 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.313 -0.509 -8.358 1.00 0.00 C ATOM 1464 C PHE A 100 -12.993 -0.113 -7.050 1.00 0.00 C ATOM 1465 O PHE A 100 -12.483 -0.389 -5.964 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.201 -2.032 -8.447 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.576 -2.514 -9.725 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.199 -2.603 -9.847 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.366 -2.877 -10.804 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.621 -3.047 -11.022 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.794 -3.321 -11.980 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.419 -3.405 -12.090 1.00 0.00 C ATOM 0 H PHE A 100 -10.273 -0.352 -7.900 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.921 -0.147 -9.187 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.612 -2.395 -7.605 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.196 -2.468 -8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.570 -2.322 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.441 -2.812 -10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.546 -3.114 -11.104 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.421 -3.602 -12.813 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.970 -3.750 -13.010 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.146 0.537 -7.164 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.898 0.971 -5.992 1.00 0.00 C ATOM 1484 C ASP A 101 -15.503 -0.223 -5.261 1.00 0.00 C ATOM 1485 O ASP A 101 -16.383 -0.905 -5.786 1.00 0.00 O ATOM 1486 CB ASP A 101 -16.002 1.947 -6.401 1.00 0.00 C ATOM 1487 CG ASP A 101 -17.183 1.917 -5.450 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -16.989 2.217 -4.254 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -18.301 1.592 -5.903 1.00 0.00 O ATOM 0 H ASP A 101 -14.580 0.775 -8.056 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.209 1.476 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -15.594 2.957 -6.438 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.343 1.704 -7.407 1.00 0.00 H new ATOM 1494 N VAL A 102 -15.024 -0.472 -4.046 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.517 -1.584 -3.243 1.00 0.00 C ATOM 1496 C VAL A 102 -16.419 -1.091 -2.117 1.00 0.00 C ATOM 1497 O VAL A 102 -16.144 -0.068 -1.491 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.357 -2.397 -2.638 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.887 -3.618 -1.902 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.370 -2.804 -3.721 1.00 0.00 C ATOM 0 H VAL A 102 -14.295 0.082 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 102 -16.092 -2.226 -3.910 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.833 -1.768 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -14.053 -4.180 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.551 -3.299 -1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.437 -4.252 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.557 -3.378 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.879 -3.415 -4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.965 -1.912 -4.198 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.497 -1.827 -1.865 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.440 -1.463 -0.814 1.00 0.00 C ATOM 1512 C GLU A 103 -18.886 -2.696 -0.032 1.00 0.00 C ATOM 1513 O GLU A 103 -19.540 -3.587 -0.576 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.659 -0.758 -1.412 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.747 -0.454 -0.396 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.832 0.446 -0.955 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.412 0.097 -2.004 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.101 1.500 -0.341 1.00 0.00 O ATOM 0 H GLU A 103 -17.739 -2.678 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.935 -0.782 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.337 0.174 -1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -20.076 -1.381 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.194 -1.389 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.301 0.021 0.478 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.526 -2.741 1.246 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.888 -3.864 2.104 1.00 0.00 C ATOM 1527 C LEU A 104 -20.399 -3.941 2.292 1.00 0.00 C ATOM 1528 O LEU A 104 -21.050 -2.940 2.598 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.199 -3.735 3.463 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.809 -5.047 4.145 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.959 -6.041 4.087 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.562 -5.634 3.500 1.00 0.00 C ATOM 0 H LEU A 104 -17.984 -2.013 1.711 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.554 -4.782 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.299 -3.133 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.860 -3.183 4.132 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.588 -4.838 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.663 -6.969 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.827 -5.623 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.211 -6.245 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.300 -6.567 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.755 -5.828 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.737 -4.928 3.594 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.953 -5.134 2.111 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.389 -5.343 2.263 1.00 0.00 C ATOM 1546 C LEU A 105 -22.685 -6.233 3.466 1.00 0.00 C ATOM 1547 O LEU A 105 -23.691 -6.050 4.153 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.970 -5.970 0.995 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.509 -4.994 -0.051 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.661 -4.182 0.519 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.400 -4.076 -0.545 1.00 0.00 C ATOM 0 H LEU A 105 -20.430 -5.972 1.859 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.857 -4.373 2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.197 -6.580 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.777 -6.644 1.284 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.882 -5.569 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -25.031 -3.493 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.464 -4.853 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.315 -3.617 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.802 -3.388 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.997 -3.509 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.606 -4.673 -0.994 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.803 -7.194 3.716 1.00 0.00 N ATOM 1564 CA ARG A 106 -21.969 -8.111 4.837 1.00 0.00 C ATOM 1565 C ARG A 106 -20.760 -9.033 4.970 1.00 0.00 C ATOM 1566 O ARG A 106 -19.926 -9.113 4.068 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.241 -8.943 4.658 1.00 0.00 C ATOM 1568 CG ARG A 106 -23.252 -9.772 3.385 1.00 0.00 C ATOM 1569 CD ARG A 106 -24.606 -10.427 3.159 1.00 0.00 C ATOM 1570 NE ARG A 106 -24.870 -11.486 4.129 1.00 0.00 N ATOM 1571 CZ ARG A 106 -26.026 -12.136 4.211 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.019 -11.838 3.384 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -26.190 -13.088 5.121 1.00 0.00 N ATOM 0 H ARG A 106 -20.966 -7.358 3.157 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.054 -7.519 5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -23.354 -9.607 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -24.104 -8.277 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -23.007 -9.137 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -22.480 -10.540 3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -25.389 -9.672 3.224 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -24.645 -10.840 2.151 1.00 0.00 H new ATOM 0 HE ARG A 106 -24.126 -11.741 4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -26.897 -11.108 2.682 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -27.905 -12.339 3.450 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -25.428 -13.321 5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -27.078 -13.586 5.183 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.673 -9.727 6.100 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.567 -10.644 6.351 1.00 0.00 C ATOM 1589 C VAL A 107 -20.077 -12.021 6.759 1.00 0.00 C ATOM 1590 O VAL A 107 -21.163 -12.150 7.322 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.633 -10.108 7.451 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.341 -10.100 8.797 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.357 -10.934 7.515 1.00 0.00 C ATOM 0 H VAL A 107 -21.355 -9.672 6.856 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.008 -10.728 5.419 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.362 -9.081 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -18.665 -9.718 9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.223 -9.462 8.741 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.644 -11.115 9.055 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.708 -10.541 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.606 -11.972 7.737 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.841 -10.882 6.556 1.00 0.00 H new ATOM 1603 N GLU A 108 -19.285 -13.049 6.470 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.657 -14.418 6.807 1.00 0.00 C ATOM 1605 C GLU A 108 -18.427 -15.239 7.184 1.00 0.00 C ATOM 1606 O GLU A 108 -17.624 -15.602 6.325 1.00 0.00 O ATOM 1607 CB GLU A 108 -20.383 -15.077 5.633 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.708 -14.417 5.290 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.508 -15.208 4.272 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -22.873 -16.364 4.575 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -22.767 -14.673 3.174 1.00 0.00 O ATOM 0 H GLU A 108 -18.382 -12.960 6.004 1.00 0.00 H new ATOM 0 HA GLU A 108 -20.327 -14.384 7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.736 -15.052 4.756 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -20.560 -16.126 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -22.298 -14.301 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.521 -13.416 4.901 1.00 0.00 H new