USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 24 TYR OH : rot -70:sc=0.000146 USER MOD Set 1.2: A 28 ASN : amide:sc= -4.46! C(o=-9.9!,f=-9.9!) USER MOD Set 1.3: A 85 LYS NZ :NH3+ -179:sc= -5.47! (180deg=-5.51!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 17 GLN : amide:sc= 0.911 K(o=0.91,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 159:sc= -0.0633 (180deg=-0.582) USER MOD Single : A 22 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-6.1!) USER MOD Single : A 33 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0544 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.4!) USER MOD Single : A 43 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.52) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 54 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.76) USER MOD Single : A 55 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.033) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.52! K(o=-1.5!,f=-0.042) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= -0.0406 (180deg=-0.378) USER MOD Single : A 68 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0591) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 172:sc= 0.346 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 152:sc= -0.167 (180deg=-1.28!) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -9.478 10.446 -11.522 1.00 0.00 N ATOM 12 CA PHE A 13 -9.997 10.054 -10.181 1.00 0.00 C ATOM 13 C PHE A 13 -9.086 8.979 -9.579 1.00 0.00 C ATOM 14 O PHE A 13 -8.887 8.911 -8.380 1.00 0.00 O ATOM 15 CB PHE A 13 -11.412 9.491 -10.335 1.00 0.00 C ATOM 16 CG PHE A 13 -12.355 10.597 -10.742 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.855 11.477 -9.776 1.00 0.00 C ATOM 18 CD2 PHE A 13 -12.729 10.745 -12.084 1.00 0.00 C ATOM 19 CE1 PHE A 13 -13.728 12.505 -10.150 1.00 0.00 C ATOM 20 CE2 PHE A 13 -13.602 11.773 -12.458 1.00 0.00 C ATOM 21 CZ PHE A 13 -14.102 12.653 -11.490 1.00 0.00 C ATOM 0 HA PHE A 13 -10.017 10.924 -9.525 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.420 8.699 -11.084 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.741 9.046 -9.396 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.567 11.363 -8.741 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.344 10.066 -12.830 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.113 13.184 -9.404 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.890 11.888 -13.493 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.776 13.446 -11.778 1.00 0.00 H new ATOM 31 N PHE A 14 -8.535 8.138 -10.410 1.00 0.00 N ATOM 32 CA PHE A 14 -7.632 7.060 -9.910 1.00 0.00 C ATOM 33 C PHE A 14 -6.414 7.686 -9.224 1.00 0.00 C ATOM 34 O PHE A 14 -5.876 7.149 -8.274 1.00 0.00 O ATOM 35 CB PHE A 14 -7.160 6.199 -11.083 1.00 0.00 C ATOM 36 CG PHE A 14 -8.311 5.373 -11.608 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.705 4.217 -10.924 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.982 5.759 -12.776 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.769 3.446 -11.406 1.00 0.00 C ATOM 40 CE2 PHE A 14 -10.046 4.988 -13.258 1.00 0.00 C ATOM 41 CZ PHE A 14 -10.440 3.831 -12.573 1.00 0.00 C ATOM 0 H PHE A 14 -8.672 8.150 -11.421 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.176 6.440 -9.197 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.765 6.834 -11.876 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.348 5.546 -10.763 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.188 3.920 -10.024 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.678 6.651 -13.304 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.072 2.554 -10.878 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -10.563 5.285 -14.158 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.261 3.236 -12.945 1.00 0.00 H new ATOM 51 N ASN A 15 -5.977 8.819 -9.705 1.00 0.00 N ATOM 52 CA ASN A 15 -4.793 9.491 -9.094 1.00 0.00 C ATOM 53 C ASN A 15 -5.109 9.869 -7.645 1.00 0.00 C ATOM 54 O ASN A 15 -4.288 9.732 -6.756 1.00 0.00 O ATOM 55 CB ASN A 15 -4.468 10.756 -9.889 1.00 0.00 C ATOM 56 CG ASN A 15 -3.294 11.485 -9.236 1.00 0.00 C ATOM 57 OD1 ASN A 15 -3.486 12.348 -8.402 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.076 11.176 -9.588 1.00 0.00 N ATOM 0 H ASN A 15 -6.390 9.310 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.939 8.814 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.221 10.497 -10.919 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.340 11.409 -9.925 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.284 11.659 -9.163 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.916 10.452 -10.288 1.00 0.00 H new ATOM 65 N GLU A 16 -6.301 10.345 -7.405 1.00 0.00 N ATOM 66 CA GLU A 16 -6.693 10.738 -6.020 1.00 0.00 C ATOM 67 C GLU A 16 -6.758 9.493 -5.131 1.00 0.00 C ATOM 68 O GLU A 16 -6.359 9.511 -3.982 1.00 0.00 O ATOM 69 CB GLU A 16 -8.074 11.403 -6.056 1.00 0.00 C ATOM 70 CG GLU A 16 -7.977 12.753 -6.771 1.00 0.00 C ATOM 71 CD GLU A 16 -9.370 13.376 -6.893 1.00 0.00 C ATOM 72 OE1 GLU A 16 -10.315 12.770 -6.414 1.00 0.00 O ATOM 73 OE2 GLU A 16 -9.469 14.451 -7.463 1.00 0.00 O ATOM 0 H GLU A 16 -7.024 10.479 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.956 11.434 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.786 10.758 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.447 11.544 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.317 13.421 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.540 12.620 -7.761 1.00 0.00 H new ATOM 80 N GLN A 17 -7.261 8.411 -5.660 1.00 0.00 N ATOM 81 CA GLN A 17 -7.365 7.154 -4.860 1.00 0.00 C ATOM 82 C GLN A 17 -5.964 6.672 -4.478 1.00 0.00 C ATOM 83 O GLN A 17 -5.733 6.200 -3.380 1.00 0.00 O ATOM 84 CB GLN A 17 -8.061 6.079 -5.698 1.00 0.00 C ATOM 85 CG GLN A 17 -9.476 6.540 -6.059 1.00 0.00 C ATOM 86 CD GLN A 17 -10.306 6.691 -4.784 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.403 5.774 -3.993 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.912 7.823 -4.549 1.00 0.00 N ATOM 0 H GLN A 17 -7.607 8.342 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.941 7.345 -3.955 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.489 5.885 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.104 5.142 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.435 7.489 -6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.945 5.818 -6.727 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.830 8.593 -5.213 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.467 7.938 -3.701 1.00 0.00 H new ATOM 97 N LYS A 18 -5.028 6.796 -5.379 1.00 0.00 N ATOM 98 CA LYS A 18 -3.633 6.360 -5.086 1.00 0.00 C ATOM 99 C LYS A 18 -3.062 7.207 -3.946 1.00 0.00 C ATOM 100 O LYS A 18 -2.392 6.713 -3.059 1.00 0.00 O ATOM 101 CB LYS A 18 -2.774 6.553 -6.339 1.00 0.00 C ATOM 102 CG LYS A 18 -3.117 5.478 -7.374 1.00 0.00 C ATOM 103 CD LYS A 18 -2.489 5.834 -8.729 1.00 0.00 C ATOM 104 CE LYS A 18 -0.988 6.076 -8.565 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.319 5.990 -9.894 1.00 0.00 N ATOM 0 H LYS A 18 -5.171 7.183 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.631 5.310 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.946 7.544 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.717 6.496 -6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.751 4.508 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.199 5.392 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.659 5.026 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.966 6.725 -9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.814 7.057 -8.122 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.563 5.338 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.702 6.155 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.474 5.045 -10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.717 6.710 -10.530 1.00 0.00 H new ATOM 119 N GLU A 19 -3.327 8.486 -3.973 1.00 0.00 N ATOM 120 CA GLU A 19 -2.809 9.394 -2.907 1.00 0.00 C ATOM 121 C GLU A 19 -3.454 9.043 -1.561 1.00 0.00 C ATOM 122 O GLU A 19 -2.803 9.014 -0.534 1.00 0.00 O ATOM 123 CB GLU A 19 -3.164 10.841 -3.270 1.00 0.00 C ATOM 124 CG GLU A 19 -2.523 11.800 -2.263 1.00 0.00 C ATOM 125 CD GLU A 19 -2.847 13.248 -2.644 1.00 0.00 C ATOM 126 OE1 GLU A 19 -4.004 13.528 -2.907 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.930 14.053 -2.662 1.00 0.00 O ATOM 0 H GLU A 19 -3.885 8.945 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.728 9.279 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.814 11.069 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.246 10.970 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.892 11.587 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.443 11.653 -2.244 1.00 0.00 H new ATOM 134 N LYS A 20 -4.734 8.785 -1.567 1.00 0.00 N ATOM 135 CA LYS A 20 -5.447 8.448 -0.298 1.00 0.00 C ATOM 136 C LYS A 20 -4.898 7.142 0.281 1.00 0.00 C ATOM 137 O LYS A 20 -4.648 7.021 1.466 1.00 0.00 O ATOM 138 CB LYS A 20 -6.936 8.260 -0.606 1.00 0.00 C ATOM 139 CG LYS A 20 -7.537 9.568 -1.150 1.00 0.00 C ATOM 140 CD LYS A 20 -7.952 10.477 0.009 1.00 0.00 C ATOM 141 CE LYS A 20 -8.594 11.748 -0.545 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.864 11.400 -1.243 1.00 0.00 N ATOM 0 H LYS A 20 -5.321 8.793 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.301 9.253 0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.065 7.461 -1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.466 7.956 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.808 10.078 -1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.401 9.347 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.654 9.956 0.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.083 10.731 0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.792 12.451 0.264 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.911 12.242 -1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.468 12.244 -1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.651 11.056 -2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.360 10.657 -0.711 1.00 0.00 H new ATOM 156 N VAL A 21 -4.715 6.163 -0.558 1.00 0.00 N ATOM 157 CA VAL A 21 -4.189 4.850 -0.094 1.00 0.00 C ATOM 158 C VAL A 21 -2.739 5.006 0.371 1.00 0.00 C ATOM 159 O VAL A 21 -2.325 4.437 1.364 1.00 0.00 O ATOM 160 CB VAL A 21 -4.255 3.845 -1.248 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.552 2.546 -0.845 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.720 3.552 -1.579 1.00 0.00 C ATOM 0 H VAL A 21 -4.910 6.217 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.792 4.491 0.740 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.758 4.264 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.602 1.835 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.509 2.755 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.044 2.122 0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.772 2.837 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.215 3.134 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.219 4.476 -1.871 1.00 0.00 H new ATOM 172 N THR A 22 -1.962 5.764 -0.354 1.00 0.00 N ATOM 173 CA THR A 22 -0.532 5.952 0.019 1.00 0.00 C ATOM 174 C THR A 22 -0.429 6.473 1.452 1.00 0.00 C ATOM 175 O THR A 22 0.358 5.991 2.247 1.00 0.00 O ATOM 176 CB THR A 22 0.104 6.975 -0.930 1.00 0.00 C ATOM 177 OG1 THR A 22 0.081 6.471 -2.258 1.00 0.00 O ATOM 178 CG2 THR A 22 1.549 7.250 -0.506 1.00 0.00 C ATOM 0 H THR A 22 -2.258 6.263 -1.193 1.00 0.00 H new ATOM 0 HA THR A 22 -0.014 4.996 -0.055 1.00 0.00 H new ATOM 0 HB THR A 22 -0.463 7.905 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.702 6.825 -2.729 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.995 7.977 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.561 7.646 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.121 6.323 -0.541 1.00 0.00 H new ATOM 186 N LEU A 23 -1.217 7.455 1.790 1.00 0.00 N ATOM 187 CA LEU A 23 -1.165 8.009 3.172 1.00 0.00 C ATOM 188 C LEU A 23 -1.602 6.934 4.172 1.00 0.00 C ATOM 189 O LEU A 23 -1.016 6.765 5.226 1.00 0.00 O ATOM 190 CB LEU A 23 -2.122 9.200 3.276 1.00 0.00 C ATOM 191 CG LEU A 23 -1.953 9.893 4.637 1.00 0.00 C ATOM 192 CD1 LEU A 23 -0.589 10.607 4.703 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.080 10.912 4.836 1.00 0.00 C ATOM 0 H LEU A 23 -1.895 7.898 1.170 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.147 8.328 3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.924 9.908 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.151 8.862 3.156 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.997 9.143 5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.480 11.095 5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.210 9.878 4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.531 11.355 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.960 11.403 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.041 11.658 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.042 10.401 4.806 1.00 0.00 H new ATOM 205 N TYR A 24 -2.634 6.210 3.836 1.00 0.00 N ATOM 206 CA TYR A 24 -3.141 5.139 4.740 1.00 0.00 C ATOM 207 C TYR A 24 -2.037 4.109 4.972 1.00 0.00 C ATOM 208 O TYR A 24 -1.804 3.659 6.078 1.00 0.00 O ATOM 209 CB TYR A 24 -4.337 4.452 4.070 1.00 0.00 C ATOM 210 CG TYR A 24 -4.802 3.286 4.913 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.579 3.513 6.054 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.456 1.977 4.551 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.009 2.432 6.835 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.884 0.897 5.332 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.661 1.125 6.474 1.00 0.00 C ATOM 216 OH TYR A 24 -6.081 0.060 7.245 1.00 0.00 O ATOM 0 H TYR A 24 -3.153 6.316 2.964 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.444 5.571 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.151 5.165 3.940 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.057 4.104 3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.847 4.521 6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.859 1.801 3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.609 2.607 7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.615 -0.111 5.054 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.609 0.072 8.104 1.00 0.00 H new ATOM 226 N LEU A 25 -1.360 3.732 3.926 1.00 0.00 N ATOM 227 CA LEU A 25 -0.270 2.723 4.051 1.00 0.00 C ATOM 228 C LEU A 25 0.849 3.257 4.947 1.00 0.00 C ATOM 229 O LEU A 25 1.381 2.553 5.781 1.00 0.00 O ATOM 230 CB LEU A 25 0.305 2.441 2.663 1.00 0.00 C ATOM 231 CG LEU A 25 -0.728 1.697 1.808 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.255 1.661 0.350 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.913 0.255 2.328 1.00 0.00 C ATOM 0 H LEU A 25 -1.515 4.082 2.981 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.677 1.812 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.584 3.377 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.213 1.845 2.751 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.682 2.220 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.989 1.132 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.143 2.680 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.704 1.146 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.649 -0.262 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.038 -0.275 2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.259 0.282 3.361 1.00 0.00 H new ATOM 245 N LYS A 26 1.214 4.495 4.772 1.00 0.00 N ATOM 246 CA LYS A 26 2.310 5.080 5.600 1.00 0.00 C ATOM 247 C LYS A 26 1.910 5.108 7.079 1.00 0.00 C ATOM 248 O LYS A 26 2.693 4.790 7.954 1.00 0.00 O ATOM 249 CB LYS A 26 2.589 6.509 5.127 1.00 0.00 C ATOM 250 CG LYS A 26 3.269 6.479 3.756 1.00 0.00 C ATOM 251 CD LYS A 26 3.552 7.912 3.284 1.00 0.00 C ATOM 252 CE LYS A 26 4.273 7.875 1.933 1.00 0.00 C ATOM 253 NZ LYS A 26 4.520 9.267 1.460 1.00 0.00 N ATOM 0 H LYS A 26 0.801 5.131 4.090 1.00 0.00 H new ATOM 0 HA LYS A 26 3.203 4.465 5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.657 7.071 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.226 7.022 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.200 5.915 3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.631 5.968 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.618 8.467 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.164 8.434 4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.218 7.339 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.671 7.333 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.010 9.240 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.612 9.764 1.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.111 9.769 2.153 1.00 0.00 H new ATOM 267 N HIS A 27 0.699 5.499 7.359 1.00 0.00 N ATOM 268 CA HIS A 27 0.232 5.571 8.775 1.00 0.00 C ATOM 269 C HIS A 27 -0.057 4.171 9.330 1.00 0.00 C ATOM 270 O HIS A 27 0.110 3.914 10.508 1.00 0.00 O ATOM 271 CB HIS A 27 -1.043 6.421 8.831 1.00 0.00 C ATOM 272 CG HIS A 27 -0.682 7.882 8.786 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.678 8.672 9.924 1.00 0.00 N ATOM 274 CD2 HIS A 27 -0.303 8.706 7.756 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.308 9.912 9.556 1.00 0.00 C ATOM 276 NE2 HIS A 27 -0.067 9.988 8.245 1.00 0.00 N ATOM 0 H HIS A 27 0.006 5.774 6.663 1.00 0.00 H new ATOM 0 HA HIS A 27 1.015 6.022 9.384 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.695 6.172 7.994 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.598 6.202 9.743 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.203 8.406 6.723 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.217 10.745 10.238 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.227 10.809 7.716 1.00 0.00 H new ATOM 284 N ASN A 28 -0.495 3.267 8.499 1.00 0.00 N ATOM 285 CA ASN A 28 -0.806 1.888 8.980 1.00 0.00 C ATOM 286 C ASN A 28 0.446 1.022 8.885 1.00 0.00 C ATOM 287 O ASN A 28 0.468 -0.108 9.342 1.00 0.00 O ATOM 288 CB ASN A 28 -1.902 1.285 8.099 1.00 0.00 C ATOM 289 CG ASN A 28 -3.254 1.895 8.473 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.970 1.352 9.290 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.635 3.013 7.914 1.00 0.00 N ATOM 0 H ASN A 28 -0.652 3.423 7.503 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.143 1.929 10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.684 1.475 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.932 0.203 8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.532 3.428 8.164 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.035 3.470 7.228 1.00 0.00 H new ATOM 298 N ILE A 29 1.492 1.544 8.297 1.00 0.00 N ATOM 299 CA ILE A 29 2.758 0.764 8.169 1.00 0.00 C ATOM 300 C ILE A 29 3.954 1.685 8.486 1.00 0.00 C ATOM 301 O ILE A 29 4.309 2.533 7.689 1.00 0.00 O ATOM 302 CB ILE A 29 2.896 0.217 6.750 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.584 -0.456 6.346 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.028 -0.817 6.724 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.690 -0.956 4.909 1.00 0.00 C ATOM 0 H ILE A 29 1.523 2.482 7.898 1.00 0.00 H new ATOM 0 HA ILE A 29 2.739 -0.071 8.869 1.00 0.00 H new ATOM 0 HB ILE A 29 3.121 1.027 6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.368 -1.288 7.017 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.758 0.249 6.437 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.135 -1.214 5.715 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.961 -0.343 7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.794 -1.630 7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.755 -1.436 4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.886 -0.114 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.505 -1.676 4.833 1.00 0.00 H new ATOM 317 N PRO A 30 4.567 1.539 9.640 1.00 0.00 N ATOM 318 CA PRO A 30 5.722 2.395 10.048 1.00 0.00 C ATOM 319 C PRO A 30 6.983 2.072 9.239 1.00 0.00 C ATOM 320 O PRO A 30 7.932 2.835 9.205 1.00 0.00 O ATOM 321 CB PRO A 30 5.918 2.064 11.540 1.00 0.00 C ATOM 322 CG PRO A 30 5.330 0.701 11.727 1.00 0.00 C ATOM 323 CD PRO A 30 4.242 0.539 10.669 1.00 0.00 C ATOM 0 HA PRO A 30 5.534 3.454 9.870 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.974 2.076 11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.419 2.797 12.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.094 -0.068 11.616 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.914 0.594 12.729 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.240 -0.469 10.254 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.252 0.712 11.090 1.00 0.00 H new ATOM 331 N ASP A 31 6.994 0.941 8.590 1.00 0.00 N ATOM 332 CA ASP A 31 8.180 0.543 7.778 1.00 0.00 C ATOM 333 C ASP A 31 7.949 0.933 6.313 1.00 0.00 C ATOM 334 O ASP A 31 8.679 0.532 5.429 1.00 0.00 O ATOM 335 CB ASP A 31 8.372 -0.972 7.885 1.00 0.00 C ATOM 336 CG ASP A 31 9.706 -1.367 7.252 1.00 0.00 C ATOM 337 OD1 ASP A 31 10.530 -0.488 7.062 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.884 -2.541 6.971 1.00 0.00 O ATOM 0 H ASP A 31 6.226 0.269 8.587 1.00 0.00 H new ATOM 0 HA ASP A 31 9.070 1.051 8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.350 -1.278 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.553 -1.489 7.384 1.00 0.00 H new ATOM 343 N PHE A 32 6.933 1.716 6.053 1.00 0.00 N ATOM 344 CA PHE A 32 6.643 2.133 4.651 1.00 0.00 C ATOM 345 C PHE A 32 7.869 2.822 4.051 1.00 0.00 C ATOM 346 O PHE A 32 8.476 3.686 4.659 1.00 0.00 O ATOM 347 CB PHE A 32 5.462 3.105 4.634 1.00 0.00 C ATOM 348 CG PHE A 32 5.136 3.481 3.208 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.893 4.456 2.548 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.078 2.849 2.544 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.590 4.802 1.226 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.774 3.195 1.222 1.00 0.00 C ATOM 353 CZ PHE A 32 4.532 4.170 0.562 1.00 0.00 C ATOM 0 H PHE A 32 6.291 2.085 6.755 1.00 0.00 H new ATOM 0 HA PHE A 32 6.397 1.249 4.063 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.594 2.647 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.705 3.998 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.711 4.942 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.496 2.094 3.052 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.172 5.557 0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.955 2.710 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.300 4.434 -0.459 1.00 0.00 H new ATOM 363 N ASN A 33 8.234 2.437 2.859 1.00 0.00 N ATOM 364 CA ASN A 33 9.418 3.042 2.183 1.00 0.00 C ATOM 365 C ASN A 33 9.048 3.393 0.741 1.00 0.00 C ATOM 366 O ASN A 33 9.304 4.483 0.268 1.00 0.00 O ATOM 367 CB ASN A 33 10.560 2.029 2.171 1.00 0.00 C ATOM 368 CG ASN A 33 11.840 2.714 1.696 1.00 0.00 C ATOM 369 OD1 ASN A 33 12.025 3.896 1.910 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.735 2.020 1.050 1.00 0.00 N ATOM 0 H ASN A 33 7.755 1.718 2.316 1.00 0.00 H new ATOM 0 HA ASN A 33 9.726 3.942 2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.705 1.615 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.315 1.195 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.591 2.469 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.579 1.028 0.871 1.00 0.00 H new ATOM 377 N THR A 34 8.451 2.469 0.034 1.00 0.00 N ATOM 378 CA THR A 34 8.067 2.739 -1.383 1.00 0.00 C ATOM 379 C THR A 34 6.804 1.968 -1.742 1.00 0.00 C ATOM 380 O THR A 34 6.496 0.948 -1.154 1.00 0.00 O ATOM 381 CB THR A 34 9.203 2.312 -2.316 1.00 0.00 C ATOM 382 OG1 THR A 34 8.744 2.341 -3.659 1.00 0.00 O ATOM 383 CG2 THR A 34 9.671 0.898 -1.961 1.00 0.00 C ATOM 0 H THR A 34 8.213 1.538 0.377 1.00 0.00 H new ATOM 0 HA THR A 34 7.879 3.807 -1.498 1.00 0.00 H new ATOM 0 HB THR A 34 10.041 3.000 -2.201 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.470 2.070 -4.259 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.479 0.603 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.028 0.881 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.839 0.202 -2.068 1.00 0.00 H new ATOM 391 N VAL A 35 6.069 2.455 -2.708 1.00 0.00 N ATOM 392 CA VAL A 35 4.810 1.776 -3.135 1.00 0.00 C ATOM 393 C VAL A 35 4.755 1.713 -4.660 1.00 0.00 C ATOM 394 O VAL A 35 5.069 2.669 -5.344 1.00 0.00 O ATOM 395 CB VAL A 35 3.598 2.551 -2.606 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.709 4.035 -2.982 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.316 1.970 -3.210 1.00 0.00 C ATOM 0 H VAL A 35 6.291 3.305 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 35 4.792 0.764 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 35 3.569 2.461 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.841 4.573 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.616 4.454 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.748 4.134 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.454 2.521 -2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.355 2.054 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.225 0.920 -2.931 1.00 0.00 H new ATOM 407 N THR A 36 4.352 0.588 -5.191 1.00 0.00 N ATOM 408 CA THR A 36 4.256 0.429 -6.672 1.00 0.00 C ATOM 409 C THR A 36 2.867 -0.098 -7.031 1.00 0.00 C ATOM 410 O THR A 36 2.448 -1.150 -6.582 1.00 0.00 O ATOM 411 CB THR A 36 5.327 -0.552 -7.149 1.00 0.00 C ATOM 412 OG1 THR A 36 6.609 -0.036 -6.821 1.00 0.00 O ATOM 413 CG2 THR A 36 5.221 -0.730 -8.663 1.00 0.00 C ATOM 0 H THR A 36 4.082 -0.237 -4.655 1.00 0.00 H new ATOM 0 HA THR A 36 4.413 1.391 -7.159 1.00 0.00 H new ATOM 0 HB THR A 36 5.183 -1.517 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.300 -0.662 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.985 -1.430 -9.001 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.235 -1.120 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.367 0.232 -9.154 1.00 0.00 H new ATOM 421 N PHE A 37 2.157 0.634 -7.842 1.00 0.00 N ATOM 422 CA PHE A 37 0.789 0.214 -8.255 1.00 0.00 C ATOM 423 C PHE A 37 0.863 -0.476 -9.614 1.00 0.00 C ATOM 424 O PHE A 37 1.341 0.084 -10.584 1.00 0.00 O ATOM 425 CB PHE A 37 -0.106 1.451 -8.352 1.00 0.00 C ATOM 426 CG PHE A 37 -0.114 2.164 -7.019 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.870 1.651 -5.959 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.631 3.336 -6.842 1.00 0.00 C ATOM 429 CE1 PHE A 37 -0.882 2.311 -4.723 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.617 3.996 -5.607 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.140 3.484 -4.548 1.00 0.00 C ATOM 0 H PHE A 37 2.471 1.518 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 37 0.375 -0.478 -7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.259 2.118 -9.133 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.119 1.161 -8.629 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.444 0.746 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.217 3.731 -7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.464 1.914 -3.905 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.191 4.901 -5.472 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.152 3.994 -3.596 1.00 0.00 H new ATOM 441 N THR A 38 0.397 -1.694 -9.685 1.00 0.00 N ATOM 442 CA THR A 38 0.432 -2.452 -10.969 1.00 0.00 C ATOM 443 C THR A 38 -0.976 -2.535 -11.556 1.00 0.00 C ATOM 444 O THR A 38 -1.148 -2.733 -12.743 1.00 0.00 O ATOM 445 CB THR A 38 0.959 -3.865 -10.695 1.00 0.00 C ATOM 446 OG1 THR A 38 0.114 -4.506 -9.747 1.00 0.00 O ATOM 447 CG2 THR A 38 2.383 -3.778 -10.138 1.00 0.00 C ATOM 0 H THR A 38 -0.011 -2.201 -8.900 1.00 0.00 H new ATOM 0 HA THR A 38 1.084 -1.944 -11.680 1.00 0.00 H new ATOM 0 HB THR A 38 0.968 -4.440 -11.621 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.447 -5.411 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.759 -4.782 -9.943 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.028 -3.284 -10.864 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.376 -3.206 -9.210 1.00 0.00 H new ATOM 455 N ASN A 39 -1.993 -2.386 -10.733 1.00 0.00 N ATOM 456 CA ASN A 39 -3.402 -2.460 -11.249 1.00 0.00 C ATOM 457 C ASN A 39 -4.068 -1.082 -11.194 1.00 0.00 C ATOM 458 O ASN A 39 -3.825 -0.290 -10.301 1.00 0.00 O ATOM 459 CB ASN A 39 -4.212 -3.442 -10.402 1.00 0.00 C ATOM 460 CG ASN A 39 -3.750 -4.872 -10.692 1.00 0.00 C ATOM 461 OD1 ASN A 39 -3.090 -5.122 -11.682 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.079 -5.832 -9.870 1.00 0.00 N ATOM 0 H ASN A 39 -1.908 -2.217 -9.731 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.372 -2.800 -12.284 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.085 -3.216 -9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.274 -3.340 -10.625 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.782 -6.789 -10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.633 -5.624 -9.039 1.00 0.00 H new ATOM 469 N GLU A 40 -4.916 -0.804 -12.147 1.00 0.00 N ATOM 470 CA GLU A 40 -5.627 0.505 -12.180 1.00 0.00 C ATOM 471 C GLU A 40 -6.788 0.418 -13.177 1.00 0.00 C ATOM 472 O GLU A 40 -6.690 0.857 -14.308 1.00 0.00 O ATOM 473 CB GLU A 40 -4.663 1.619 -12.601 1.00 0.00 C ATOM 474 CG GLU A 40 -5.398 2.963 -12.579 1.00 0.00 C ATOM 475 CD GLU A 40 -4.421 4.091 -12.912 1.00 0.00 C ATOM 476 OE1 GLU A 40 -3.330 3.791 -13.366 1.00 0.00 O ATOM 477 OE2 GLU A 40 -4.782 5.240 -12.706 1.00 0.00 O ATOM 0 H GLU A 40 -5.149 -1.436 -12.913 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.011 0.734 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.807 1.649 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.275 1.421 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.216 2.953 -13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.840 3.130 -11.597 1.00 0.00 H new ATOM 484 N GLU A 41 -7.887 -0.155 -12.761 1.00 0.00 N ATOM 485 CA GLU A 41 -9.066 -0.287 -13.668 1.00 0.00 C ATOM 486 C GLU A 41 -10.350 -0.353 -12.841 1.00 0.00 C ATOM 487 O GLU A 41 -10.375 0.018 -11.681 1.00 0.00 O ATOM 488 CB GLU A 41 -8.941 -1.558 -14.512 1.00 0.00 C ATOM 489 CG GLU A 41 -8.913 -2.790 -13.600 1.00 0.00 C ATOM 490 CD GLU A 41 -8.660 -4.041 -14.442 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.885 -3.951 -15.382 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.245 -5.066 -14.137 1.00 0.00 O ATOM 0 H GLU A 41 -8.019 -0.540 -11.826 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.100 0.580 -14.327 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.778 -1.628 -15.206 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.032 -1.518 -15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.132 -2.681 -12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.859 -2.883 -13.067 1.00 0.00 H new ATOM 499 N PHE A 42 -11.418 -0.827 -13.436 1.00 0.00 N ATOM 500 CA PHE A 42 -12.720 -0.924 -12.705 1.00 0.00 C ATOM 501 C PHE A 42 -12.970 -2.362 -12.279 1.00 0.00 C ATOM 502 O PHE A 42 -12.915 -3.282 -13.075 1.00 0.00 O ATOM 503 CB PHE A 42 -13.862 -0.453 -13.608 1.00 0.00 C ATOM 504 CG PHE A 42 -13.996 -1.361 -14.815 1.00 0.00 C ATOM 505 CD1 PHE A 42 -14.828 -2.489 -14.760 1.00 0.00 C ATOM 506 CD2 PHE A 42 -13.304 -1.062 -15.995 1.00 0.00 C ATOM 507 CE1 PHE A 42 -14.960 -3.318 -15.883 1.00 0.00 C ATOM 508 CE2 PHE A 42 -13.435 -1.892 -17.115 1.00 0.00 C ATOM 509 CZ PHE A 42 -14.265 -3.017 -17.061 1.00 0.00 C ATOM 0 H PHE A 42 -11.443 -1.153 -14.402 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.675 -0.289 -11.820 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.797 -0.444 -13.047 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.677 0.570 -13.935 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -15.367 -2.719 -13.853 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.668 -0.190 -16.041 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.598 -4.189 -15.840 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.895 -1.663 -18.022 1.00 0.00 H new ATOM 0 HZ PHE A 42 -14.370 -3.653 -17.927 1.00 0.00 H new ATOM 519 N ASN A 43 -13.241 -2.561 -11.018 1.00 0.00 N ATOM 520 CA ASN A 43 -13.494 -3.934 -10.505 1.00 0.00 C ATOM 521 C ASN A 43 -15.005 -4.186 -10.444 1.00 0.00 C ATOM 522 O ASN A 43 -15.797 -3.263 -10.498 1.00 0.00 O ATOM 523 CB ASN A 43 -12.877 -4.068 -9.091 1.00 0.00 C ATOM 524 CG ASN A 43 -11.614 -4.929 -9.155 1.00 0.00 C ATOM 525 OD1 ASN A 43 -11.545 -5.979 -8.547 1.00 0.00 O ATOM 526 ND2 ASN A 43 -10.610 -4.527 -9.882 1.00 0.00 N ATOM 0 H ASN A 43 -13.298 -1.823 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.038 -4.668 -11.169 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.636 -3.082 -8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.600 -4.517 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.764 -5.094 -9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.670 -3.645 -10.392 1.00 0.00 H new ATOM 533 N PRO A 44 -15.398 -5.427 -10.314 1.00 0.00 N ATOM 534 CA PRO A 44 -16.840 -5.803 -10.220 1.00 0.00 C ATOM 535 C PRO A 44 -17.568 -4.984 -9.146 1.00 0.00 C ATOM 536 O PRO A 44 -18.697 -4.562 -9.321 1.00 0.00 O ATOM 537 CB PRO A 44 -16.798 -7.286 -9.818 1.00 0.00 C ATOM 538 CG PRO A 44 -15.482 -7.793 -10.310 1.00 0.00 C ATOM 539 CD PRO A 44 -14.518 -6.610 -10.251 1.00 0.00 C ATOM 0 HA PRO A 44 -17.377 -5.617 -11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.885 -7.403 -8.738 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -17.624 -7.838 -10.266 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.126 -8.616 -9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.568 -8.174 -11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.929 -6.621 -9.334 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.813 -6.628 -11.082 1.00 0.00 H new ATOM 547 N ILE A 45 -16.919 -4.759 -8.036 1.00 0.00 N ATOM 548 CA ILE A 45 -17.549 -3.972 -6.941 1.00 0.00 C ATOM 549 C ILE A 45 -17.402 -2.479 -7.236 1.00 0.00 C ATOM 550 O ILE A 45 -17.912 -1.639 -6.521 1.00 0.00 O ATOM 551 CB ILE A 45 -16.859 -4.314 -5.613 1.00 0.00 C ATOM 552 CG1 ILE A 45 -17.167 -5.773 -5.248 1.00 0.00 C ATOM 553 CG2 ILE A 45 -17.364 -3.381 -4.504 1.00 0.00 C ATOM 554 CD1 ILE A 45 -16.277 -6.214 -4.081 1.00 0.00 C ATOM 0 H ILE A 45 -15.974 -5.089 -7.841 1.00 0.00 H new ATOM 0 HA ILE A 45 -18.609 -4.218 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.782 -4.182 -5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.217 -5.876 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.997 -6.417 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.869 -3.631 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -17.141 -2.347 -4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.441 -3.501 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.499 -7.250 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.229 -6.128 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.469 -5.578 -3.217 1.00 0.00 H new ATOM 566 N GLY A 46 -16.711 -2.142 -8.297 1.00 0.00 N ATOM 567 CA GLY A 46 -16.532 -0.703 -8.660 1.00 0.00 C ATOM 568 C GLY A 46 -15.093 -0.452 -9.103 1.00 0.00 C ATOM 569 O GLY A 46 -14.697 -0.810 -10.196 1.00 0.00 O ATOM 0 H GLY A 46 -16.262 -2.805 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -17.220 -0.433 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.774 -0.071 -7.805 1.00 0.00 H new ATOM 573 N ILE A 47 -14.308 0.165 -8.254 1.00 0.00 N ATOM 574 CA ILE A 47 -12.882 0.459 -8.594 1.00 0.00 C ATOM 575 C ILE A 47 -11.968 -0.067 -7.494 1.00 0.00 C ATOM 576 O ILE A 47 -12.208 0.126 -6.316 1.00 0.00 O ATOM 577 CB ILE A 47 -12.685 1.970 -8.750 1.00 0.00 C ATOM 578 CG1 ILE A 47 -13.319 2.710 -7.565 1.00 0.00 C ATOM 579 CG2 ILE A 47 -13.341 2.435 -10.050 1.00 0.00 C ATOM 580 CD1 ILE A 47 -12.968 4.198 -7.654 1.00 0.00 C ATOM 0 H ILE A 47 -14.599 0.481 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.632 -0.034 -9.534 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.618 2.190 -8.776 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -14.401 2.578 -7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.956 2.294 -6.625 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.202 3.510 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.883 1.919 -10.894 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.407 2.208 -10.021 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.416 4.728 -6.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.885 4.319 -7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.352 4.607 -8.588 1.00 0.00 H new ATOM 592 N SER A 48 -10.917 -0.738 -7.876 1.00 0.00 N ATOM 593 CA SER A 48 -9.965 -1.292 -6.874 1.00 0.00 C ATOM 594 C SER A 48 -8.535 -1.087 -7.361 1.00 0.00 C ATOM 595 O SER A 48 -8.263 -1.084 -8.549 1.00 0.00 O ATOM 596 CB SER A 48 -10.224 -2.784 -6.682 1.00 0.00 C ATOM 597 OG SER A 48 -11.531 -2.968 -6.162 1.00 0.00 O ATOM 0 H SER A 48 -10.675 -0.928 -8.849 1.00 0.00 H new ATOM 0 HA SER A 48 -10.106 -0.776 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.121 -3.308 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.486 -3.209 -6.002 1.00 0.00 H new ATOM 0 HG SER A 48 -11.702 -3.925 -6.039 1.00 0.00 H new ATOM 603 N ILE A 49 -7.624 -0.920 -6.444 1.00 0.00 N ATOM 604 CA ILE A 49 -6.189 -0.714 -6.803 1.00 0.00 C ATOM 605 C ILE A 49 -5.340 -1.749 -6.072 1.00 0.00 C ATOM 606 O ILE A 49 -5.515 -1.995 -4.893 1.00 0.00 O ATOM 607 CB ILE A 49 -5.761 0.695 -6.409 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.533 1.705 -7.263 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.261 0.856 -6.649 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.295 3.121 -6.739 1.00 0.00 C ATOM 0 H ILE A 49 -7.815 -0.917 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.053 -0.832 -7.878 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.975 0.868 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.213 1.634 -8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.598 1.474 -7.241 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.954 1.863 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.716 0.129 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.042 0.691 -7.704 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.847 3.833 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.637 3.189 -5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.231 3.352 -6.785 1.00 0.00 H new ATOM 622 N ASP A 50 -4.433 -2.373 -6.777 1.00 0.00 N ATOM 623 CA ASP A 50 -3.567 -3.422 -6.161 1.00 0.00 C ATOM 624 C ASP A 50 -2.094 -3.111 -6.439 1.00 0.00 C ATOM 625 O ASP A 50 -1.739 -2.560 -7.473 1.00 0.00 O ATOM 626 CB ASP A 50 -3.929 -4.777 -6.773 1.00 0.00 C ATOM 627 CG ASP A 50 -3.370 -5.906 -5.908 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.460 -5.642 -5.141 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.868 -7.013 -6.021 1.00 0.00 O ATOM 0 H ASP A 50 -4.253 -2.198 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.725 -3.444 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.012 -4.871 -6.854 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.527 -4.848 -7.783 1.00 0.00 H new ATOM 634 N GLY A 51 -1.239 -3.461 -5.517 1.00 0.00 N ATOM 635 CA GLY A 51 0.212 -3.191 -5.699 1.00 0.00 C ATOM 636 C GLY A 51 1.009 -3.786 -4.537 1.00 0.00 C ATOM 637 O GLY A 51 0.515 -4.596 -3.773 1.00 0.00 O ATOM 0 H GLY A 51 -1.486 -3.924 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.554 -3.619 -6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.385 -2.116 -5.756 1.00 0.00 H new ATOM 641 N TYR A 52 2.245 -3.384 -4.408 1.00 0.00 N ATOM 642 CA TYR A 52 3.111 -3.906 -3.310 1.00 0.00 C ATOM 643 C TYR A 52 4.032 -2.800 -2.810 1.00 0.00 C ATOM 644 O TYR A 52 4.189 -1.772 -3.445 1.00 0.00 O ATOM 645 CB TYR A 52 3.948 -5.085 -3.821 1.00 0.00 C ATOM 646 CG TYR A 52 4.682 -4.691 -5.086 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.905 -4.010 -5.013 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.142 -5.020 -6.337 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.582 -3.660 -6.188 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.821 -4.668 -7.511 1.00 0.00 C ATOM 651 CZ TYR A 52 6.040 -3.988 -7.436 1.00 0.00 C ATOM 652 OH TYR A 52 6.711 -3.643 -8.592 1.00 0.00 O ATOM 0 H TYR A 52 2.697 -2.708 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 52 2.479 -4.246 -2.489 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.662 -5.392 -3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.303 -5.941 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.325 -3.755 -4.051 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.201 -5.546 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.525 -3.136 -6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.403 -4.922 -8.474 1.00 0.00 H new ATOM 0 HH TYR A 52 6.198 -3.945 -9.370 1.00 0.00 H new ATOM 662 N ILE A 53 4.626 -2.998 -1.657 1.00 0.00 N ATOM 663 CA ILE A 53 5.531 -1.958 -1.072 1.00 0.00 C ATOM 664 C ILE A 53 6.916 -2.532 -0.769 1.00 0.00 C ATOM 665 O ILE A 53 7.121 -3.732 -0.734 1.00 0.00 O ATOM 666 CB ILE A 53 4.915 -1.410 0.220 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.724 -2.547 1.238 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.560 -0.773 -0.088 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.236 -1.968 2.571 1.00 0.00 C ATOM 0 H ILE A 53 4.522 -3.841 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 53 5.644 -1.158 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 53 5.585 -0.661 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.003 -3.271 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.664 -3.080 1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.123 -0.384 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.694 0.042 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.895 -1.522 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.101 -2.775 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.973 -1.261 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.286 -1.455 2.419 1.00 0.00 H new ATOM 681 N ASN A 54 7.861 -1.653 -0.554 1.00 0.00 N ATOM 682 CA ASN A 54 9.266 -2.061 -0.248 1.00 0.00 C ATOM 683 C ASN A 54 9.827 -2.920 -1.386 1.00 0.00 C ATOM 684 O ASN A 54 10.641 -3.803 -1.179 1.00 0.00 O ATOM 685 CB ASN A 54 9.315 -2.832 1.080 1.00 0.00 C ATOM 686 CG ASN A 54 9.078 -1.863 2.244 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.896 -1.006 2.512 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.984 -1.961 2.950 1.00 0.00 N ATOM 0 H ASN A 54 7.713 -0.644 -0.578 1.00 0.00 H new ATOM 0 HA ASN A 54 9.881 -1.166 -0.154 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.558 -3.616 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.282 -3.322 1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.818 -1.319 3.725 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.296 -2.680 2.727 1.00 0.00 H new ATOM 695 N ASN A 55 9.399 -2.651 -2.591 1.00 0.00 N ATOM 696 CA ASN A 55 9.889 -3.423 -3.773 1.00 0.00 C ATOM 697 C ASN A 55 9.799 -4.918 -3.488 1.00 0.00 C ATOM 698 O ASN A 55 10.579 -5.702 -3.997 1.00 0.00 O ATOM 699 CB ASN A 55 11.348 -3.059 -4.087 1.00 0.00 C ATOM 700 CG ASN A 55 11.432 -1.643 -4.671 1.00 0.00 C ATOM 701 OD1 ASN A 55 12.508 -1.085 -4.782 1.00 0.00 O ATOM 702 ND2 ASN A 55 10.344 -1.028 -5.055 1.00 0.00 N ATOM 0 H ASN A 55 8.722 -1.920 -2.810 1.00 0.00 H new ATOM 0 HA ASN A 55 9.265 -3.171 -4.631 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.948 -3.121 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.764 -3.776 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.401 -0.087 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.439 -1.489 -4.965 1.00 0.00 H new ATOM 709 N ASP A 56 8.856 -5.323 -2.677 1.00 0.00 N ATOM 710 CA ASP A 56 8.704 -6.774 -2.344 1.00 0.00 C ATOM 711 C ASP A 56 7.389 -7.306 -2.914 1.00 0.00 C ATOM 712 O ASP A 56 6.313 -6.955 -2.468 1.00 0.00 O ATOM 713 CB ASP A 56 8.721 -6.950 -0.828 1.00 0.00 C ATOM 714 CG ASP A 56 10.141 -6.712 -0.307 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.059 -6.733 -1.111 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.288 -6.514 0.887 1.00 0.00 O ATOM 0 H ASP A 56 8.179 -4.707 -2.227 1.00 0.00 H new ATOM 0 HA ASP A 56 9.530 -7.333 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.028 -6.250 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.387 -7.953 -0.563 1.00 0.00 H new ATOM 721 N LYS A 57 7.486 -8.164 -3.891 1.00 0.00 N ATOM 722 CA LYS A 57 6.271 -8.754 -4.520 1.00 0.00 C ATOM 723 C LYS A 57 5.451 -9.488 -3.455 1.00 0.00 C ATOM 724 O LYS A 57 4.238 -9.551 -3.517 1.00 0.00 O ATOM 725 CB LYS A 57 6.709 -9.751 -5.596 1.00 0.00 C ATOM 726 CG LYS A 57 7.390 -9.002 -6.745 1.00 0.00 C ATOM 727 CD LYS A 57 7.916 -10.004 -7.784 1.00 0.00 C ATOM 728 CE LYS A 57 6.760 -10.521 -8.651 1.00 0.00 C ATOM 729 NZ LYS A 57 7.307 -11.242 -9.835 1.00 0.00 N ATOM 0 H LYS A 57 8.369 -8.486 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 57 5.664 -7.966 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.394 -10.484 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.845 -10.302 -5.969 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.683 -8.317 -7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.212 -8.398 -6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.667 -9.527 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.405 -10.838 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.125 -11.188 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.135 -9.689 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.523 -11.592 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.896 -10.593 -10.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.885 -12.045 -9.516 1.00 0.00 H new ATOM 743 N ASN A 58 6.114 -10.048 -2.478 1.00 0.00 N ATOM 744 CA ASN A 58 5.396 -10.785 -1.398 1.00 0.00 C ATOM 745 C ASN A 58 4.480 -9.821 -0.639 1.00 0.00 C ATOM 746 O ASN A 58 3.377 -10.162 -0.255 1.00 0.00 O ATOM 747 CB ASN A 58 6.422 -11.362 -0.414 1.00 0.00 C ATOM 748 CG ASN A 58 7.205 -12.499 -1.076 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.307 -12.809 -0.668 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.682 -13.141 -2.084 1.00 0.00 N ATOM 0 H ASN A 58 7.129 -10.026 -2.382 1.00 0.00 H new ATOM 0 HA ASN A 58 4.804 -11.586 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.107 -10.579 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.915 -11.730 0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.198 -13.901 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.757 -12.883 -2.429 1.00 0.00 H new ATOM 757 N LEU A 59 4.942 -8.624 -0.409 1.00 0.00 N ATOM 758 CA LEU A 59 4.124 -7.629 0.342 1.00 0.00 C ATOM 759 C LEU A 59 3.126 -6.964 -0.600 1.00 0.00 C ATOM 760 O LEU A 59 3.329 -5.850 -1.052 1.00 0.00 O ATOM 761 CB LEU A 59 5.045 -6.568 0.953 1.00 0.00 C ATOM 762 CG LEU A 59 6.105 -7.251 1.829 1.00 0.00 C ATOM 763 CD1 LEU A 59 7.035 -6.191 2.434 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.423 -8.042 2.957 1.00 0.00 C ATOM 0 H LEU A 59 5.857 -8.289 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 59 3.579 -8.137 1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.527 -5.992 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.463 -5.866 1.550 1.00 0.00 H new ATOM 0 HG LEU A 59 6.688 -7.937 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.786 -6.678 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.528 -5.640 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.452 -5.501 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.182 -8.524 3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.833 -7.363 3.572 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.770 -8.801 2.526 1.00 0.00 H new ATOM 776 N SER A 60 2.044 -7.647 -0.895 1.00 0.00 N ATOM 777 CA SER A 60 1.006 -7.084 -1.809 1.00 0.00 C ATOM 778 C SER A 60 -0.206 -6.619 -1.001 1.00 0.00 C ATOM 779 O SER A 60 -0.463 -7.089 0.100 1.00 0.00 O ATOM 780 CB SER A 60 0.562 -8.155 -2.805 1.00 0.00 C ATOM 781 OG SER A 60 -0.617 -7.715 -3.470 1.00 0.00 O ATOM 0 H SER A 60 1.837 -8.579 -0.536 1.00 0.00 H new ATOM 0 HA SER A 60 1.431 -6.236 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.353 -8.345 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.372 -9.095 -2.286 1.00 0.00 H new ATOM 0 HG SER A 60 -0.905 -8.398 -4.111 1.00 0.00 H new ATOM 787 N PHE A 61 -0.944 -5.688 -1.544 1.00 0.00 N ATOM 788 CA PHE A 61 -2.144 -5.157 -0.840 1.00 0.00 C ATOM 789 C PHE A 61 -3.184 -4.704 -1.860 1.00 0.00 C ATOM 790 O PHE A 61 -2.874 -4.421 -3.005 1.00 0.00 O ATOM 791 CB PHE A 61 -1.742 -3.965 0.033 1.00 0.00 C ATOM 792 CG PHE A 61 -1.233 -2.839 -0.842 1.00 0.00 C ATOM 793 CD1 PHE A 61 0.113 -2.809 -1.233 1.00 0.00 C ATOM 794 CD2 PHE A 61 -2.103 -1.822 -1.259 1.00 0.00 C ATOM 795 CE1 PHE A 61 0.587 -1.766 -2.038 1.00 0.00 C ATOM 796 CE2 PHE A 61 -1.627 -0.778 -2.064 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.284 -0.750 -2.453 1.00 0.00 C ATOM 0 H PHE A 61 -0.763 -5.269 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.567 -5.943 -0.215 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.597 -3.626 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.970 -4.265 0.742 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.785 -3.591 -0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.141 -1.843 -0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.624 -1.745 -2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.298 0.005 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.082 0.055 -3.073 1.00 0.00 H new ATOM 807 N THR A 62 -4.419 -4.628 -1.446 1.00 0.00 N ATOM 808 CA THR A 62 -5.513 -4.190 -2.362 1.00 0.00 C ATOM 809 C THR A 62 -6.392 -3.170 -1.643 1.00 0.00 C ATOM 810 O THR A 62 -6.697 -3.314 -0.473 1.00 0.00 O ATOM 811 CB THR A 62 -6.356 -5.394 -2.774 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.528 -6.343 -3.431 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.463 -4.935 -3.724 1.00 0.00 C ATOM 0 H THR A 62 -4.722 -4.854 -0.498 1.00 0.00 H new ATOM 0 HA THR A 62 -5.080 -3.737 -3.254 1.00 0.00 H new ATOM 0 HB THR A 62 -6.802 -5.851 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.066 -7.118 -3.696 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.067 -5.793 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.094 -4.203 -3.220 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.018 -4.482 -4.610 1.00 0.00 H new ATOM 821 N ALA A 63 -6.793 -2.135 -2.334 1.00 0.00 N ATOM 822 CA ALA A 63 -7.648 -1.081 -1.707 1.00 0.00 C ATOM 823 C ALA A 63 -8.863 -0.811 -2.595 1.00 0.00 C ATOM 824 O ALA A 63 -8.757 -0.693 -3.803 1.00 0.00 O ATOM 825 CB ALA A 63 -6.836 0.203 -1.555 1.00 0.00 C ATOM 0 H ALA A 63 -6.563 -1.973 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.984 -1.421 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.456 0.974 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.969 0.013 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.502 0.540 -2.536 1.00 0.00 H new ATOM 831 N GLY A 64 -10.016 -0.720 -1.989 1.00 0.00 N ATOM 832 CA GLY A 64 -11.277 -0.464 -2.749 1.00 0.00 C ATOM 833 C GLY A 64 -11.831 0.920 -2.406 1.00 0.00 C ATOM 834 O GLY A 64 -11.853 1.335 -1.256 1.00 0.00 O ATOM 0 H GLY A 64 -10.141 -0.814 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.084 -0.531 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.016 -1.229 -2.509 1.00 0.00 H new ATOM 838 N LYS A 65 -12.289 1.621 -3.411 1.00 0.00 N ATOM 839 CA LYS A 65 -12.869 2.981 -3.210 1.00 0.00 C ATOM 840 C LYS A 65 -12.059 3.780 -2.188 1.00 0.00 C ATOM 841 O LYS A 65 -10.916 3.477 -1.907 1.00 0.00 O ATOM 842 CB LYS A 65 -14.321 2.853 -2.735 1.00 0.00 C ATOM 843 CG LYS A 65 -15.158 2.103 -3.786 1.00 0.00 C ATOM 844 CD LYS A 65 -15.604 3.069 -4.894 1.00 0.00 C ATOM 845 CE LYS A 65 -16.497 2.335 -5.892 1.00 0.00 C ATOM 846 NZ LYS A 65 -17.788 1.976 -5.241 1.00 0.00 N ATOM 0 H LYS A 65 -12.285 1.301 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.837 3.514 -4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.355 2.321 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.743 3.843 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.573 1.290 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.030 1.652 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.144 3.911 -4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.732 3.478 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.680 2.965 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.996 1.435 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -18.502 1.778 -5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.655 1.132 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -18.110 2.768 -4.648 1.00 0.00 H new ATOM 860 N ASP A 66 -12.646 4.818 -1.651 1.00 0.00 N ATOM 861 CA ASP A 66 -11.924 5.667 -0.664 1.00 0.00 C ATOM 862 C ASP A 66 -11.498 4.819 0.534 1.00 0.00 C ATOM 863 O ASP A 66 -12.107 4.842 1.589 1.00 0.00 O ATOM 864 CB ASP A 66 -12.840 6.809 -0.210 1.00 0.00 C ATOM 865 CG ASP A 66 -13.003 7.816 -1.353 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.287 7.691 -2.332 1.00 0.00 O ATOM 867 OD2 ASP A 66 -13.839 8.697 -1.228 1.00 0.00 O ATOM 0 H ASP A 66 -13.600 5.114 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.032 6.089 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.813 6.415 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.418 7.302 0.666 1.00 0.00 H new ATOM 872 N VAL A 67 -10.445 4.064 0.359 1.00 0.00 N ATOM 873 CA VAL A 67 -9.927 3.187 1.448 1.00 0.00 C ATOM 874 C VAL A 67 -11.093 2.511 2.169 1.00 0.00 C ATOM 875 O VAL A 67 -10.993 2.118 3.317 1.00 0.00 O ATOM 876 CB VAL A 67 -9.090 4.016 2.432 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.094 3.102 3.155 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.319 5.094 1.659 1.00 0.00 C ATOM 0 H VAL A 67 -9.913 4.018 -0.510 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.291 2.414 1.017 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.748 4.486 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.500 3.691 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.638 2.331 3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.435 2.632 2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.723 5.685 2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.661 4.619 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.024 5.745 1.141 1.00 0.00 H new ATOM 888 N LYS A 68 -12.199 2.366 1.492 1.00 0.00 N ATOM 889 CA LYS A 68 -13.372 1.709 2.119 1.00 0.00 C ATOM 890 C LYS A 68 -13.019 0.260 2.429 1.00 0.00 C ATOM 891 O LYS A 68 -13.315 -0.251 3.492 1.00 0.00 O ATOM 892 CB LYS A 68 -14.556 1.746 1.147 1.00 0.00 C ATOM 893 CG LYS A 68 -15.802 1.117 1.787 1.00 0.00 C ATOM 894 CD LYS A 68 -16.281 1.981 2.961 1.00 0.00 C ATOM 895 CE LYS A 68 -17.721 1.624 3.313 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.769 0.229 3.833 1.00 0.00 N ATOM 0 H LYS A 68 -12.338 2.676 0.530 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.641 2.230 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.768 2.777 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.300 1.210 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.595 1.025 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.573 0.110 2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.636 1.825 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.212 3.037 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -18.107 2.317 4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.357 1.718 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.706 0.044 4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.596 -0.438 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.039 0.105 4.563 1.00 0.00 H new ATOM 910 N ILE A 69 -12.385 -0.407 1.499 1.00 0.00 N ATOM 911 CA ILE A 69 -11.995 -1.835 1.713 1.00 0.00 C ATOM 912 C ILE A 69 -10.486 -1.962 1.578 1.00 0.00 C ATOM 913 O ILE A 69 -9.903 -1.514 0.611 1.00 0.00 O ATOM 914 CB ILE A 69 -12.679 -2.725 0.672 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.196 -2.671 0.879 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.187 -4.168 0.835 1.00 0.00 C ATOM 917 CD1 ILE A 69 -14.906 -3.324 -0.311 1.00 0.00 C ATOM 0 H ILE A 69 -12.118 -0.021 0.593 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.306 -2.151 2.709 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.437 -2.372 -0.330 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.465 -3.186 1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.521 -1.636 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.673 -4.804 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.107 -4.203 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.431 -4.525 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -15.984 -3.283 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -14.648 -2.791 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -14.591 -4.364 -0.397 1.00 0.00 H new ATOM 929 N PHE A 70 -9.849 -2.562 2.548 1.00 0.00 N ATOM 930 CA PHE A 70 -8.364 -2.722 2.500 1.00 0.00 C ATOM 931 C PHE A 70 -7.992 -4.160 2.848 1.00 0.00 C ATOM 932 O PHE A 70 -8.438 -4.711 3.840 1.00 0.00 O ATOM 933 CB PHE A 70 -7.714 -1.767 3.501 1.00 0.00 C ATOM 934 CG PHE A 70 -6.216 -1.954 3.467 1.00 0.00 C ATOM 935 CD1 PHE A 70 -5.475 -1.448 2.393 1.00 0.00 C ATOM 936 CD2 PHE A 70 -5.569 -2.634 4.505 1.00 0.00 C ATOM 937 CE1 PHE A 70 -4.086 -1.620 2.355 1.00 0.00 C ATOM 938 CE2 PHE A 70 -4.180 -2.807 4.468 1.00 0.00 C ATOM 939 CZ PHE A 70 -3.438 -2.299 3.394 1.00 0.00 C ATOM 0 H PHE A 70 -10.296 -2.951 3.378 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.008 -2.491 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.969 -0.736 3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.094 -1.960 4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.975 -0.924 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.140 -3.025 5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.515 -1.229 1.525 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.680 -3.333 5.268 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.366 -2.431 3.367 1.00 0.00 H new ATOM 949 N SER A 71 -7.178 -4.769 2.030 1.00 0.00 N ATOM 950 CA SER A 71 -6.746 -6.179 2.272 1.00 0.00 C ATOM 951 C SER A 71 -5.225 -6.267 2.157 1.00 0.00 C ATOM 952 O SER A 71 -4.597 -5.491 1.460 1.00 0.00 O ATOM 953 CB SER A 71 -7.386 -7.095 1.233 1.00 0.00 C ATOM 954 OG SER A 71 -8.787 -7.147 1.457 1.00 0.00 O ATOM 0 H SER A 71 -6.787 -4.344 1.190 1.00 0.00 H new ATOM 0 HA SER A 71 -7.058 -6.489 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.180 -6.726 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.958 -8.095 1.299 1.00 0.00 H new ATOM 0 HG SER A 71 -9.203 -7.733 0.791 1.00 0.00 H new ATOM 960 N SER A 72 -4.629 -7.203 2.843 1.00 0.00 N ATOM 961 CA SER A 72 -3.144 -7.348 2.794 1.00 0.00 C ATOM 962 C SER A 72 -2.749 -8.823 2.827 1.00 0.00 C ATOM 963 O SER A 72 -3.480 -9.672 3.307 1.00 0.00 O ATOM 964 CB SER A 72 -2.526 -6.634 3.995 1.00 0.00 C ATOM 965 OG SER A 72 -3.205 -7.031 5.182 1.00 0.00 O ATOM 0 H SER A 72 -5.108 -7.878 3.439 1.00 0.00 H new ATOM 0 HA SER A 72 -2.778 -6.906 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.466 -6.877 4.071 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.597 -5.554 3.866 1.00 0.00 H new ATOM 0 HG SER A 72 -2.809 -6.575 5.954 1.00 0.00 H new ATOM 971 N SER A 73 -1.589 -9.124 2.308 1.00 0.00 N ATOM 972 CA SER A 73 -1.104 -10.533 2.278 1.00 0.00 C ATOM 973 C SER A 73 -0.647 -10.978 3.669 1.00 0.00 C ATOM 974 O SER A 73 -0.508 -10.186 4.581 1.00 0.00 O ATOM 975 CB SER A 73 0.071 -10.635 1.306 1.00 0.00 C ATOM 976 OG SER A 73 1.016 -9.611 1.601 1.00 0.00 O ATOM 0 H SER A 73 -0.949 -8.444 1.898 1.00 0.00 H new ATOM 0 HA SER A 73 -1.920 -11.180 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.542 -11.615 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.282 -10.536 0.279 1.00 0.00 H new ATOM 0 HG SER A 73 1.829 -9.754 1.072 1.00 0.00 H new ATOM 982 N GLU A 74 -0.414 -12.254 3.825 1.00 0.00 N ATOM 983 CA GLU A 74 0.030 -12.794 5.143 1.00 0.00 C ATOM 984 C GLU A 74 1.352 -12.145 5.561 1.00 0.00 C ATOM 985 O GLU A 74 1.541 -11.774 6.704 1.00 0.00 O ATOM 986 CB GLU A 74 0.232 -14.310 5.019 1.00 0.00 C ATOM 987 CG GLU A 74 0.594 -14.893 6.387 1.00 0.00 C ATOM 988 CD GLU A 74 0.749 -16.413 6.286 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.346 -16.966 5.276 1.00 0.00 O ATOM 990 OE2 GLU A 74 1.270 -16.997 7.221 1.00 0.00 O ATOM 0 H GLU A 74 -0.513 -12.952 3.088 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.728 -12.574 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.677 -14.779 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.023 -14.524 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.522 -14.448 6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.181 -14.646 7.113 1.00 0.00 H new ATOM 997 N GLU A 75 2.268 -12.009 4.638 1.00 0.00 N ATOM 998 CA GLU A 75 3.585 -11.391 4.966 1.00 0.00 C ATOM 999 C GLU A 75 3.383 -9.919 5.333 1.00 0.00 C ATOM 1000 O GLU A 75 4.048 -9.378 6.197 1.00 0.00 O ATOM 1001 CB GLU A 75 4.506 -11.486 3.746 1.00 0.00 C ATOM 1002 CG GLU A 75 4.824 -12.954 3.447 1.00 0.00 C ATOM 1003 CD GLU A 75 5.639 -13.549 4.595 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.233 -12.780 5.335 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.660 -14.763 4.716 1.00 0.00 O ATOM 0 H GLU A 75 2.159 -12.301 3.667 1.00 0.00 H new ATOM 0 HA GLU A 75 4.034 -11.917 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.028 -11.025 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.428 -10.935 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.900 -13.517 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.381 -13.033 2.514 1.00 0.00 H new ATOM 1012 N LEU A 76 2.463 -9.270 4.676 1.00 0.00 N ATOM 1013 CA LEU A 76 2.187 -7.834 4.968 1.00 0.00 C ATOM 1014 C LEU A 76 1.203 -7.742 6.144 1.00 0.00 C ATOM 1015 O LEU A 76 1.097 -6.730 6.820 1.00 0.00 O ATOM 1016 CB LEU A 76 1.577 -7.186 3.717 1.00 0.00 C ATOM 1017 CG LEU A 76 1.322 -5.692 3.950 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.651 -4.957 4.195 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.634 -5.099 2.713 1.00 0.00 C ATOM 0 H LEU A 76 1.884 -9.677 3.941 1.00 0.00 H new ATOM 0 HA LEU A 76 3.108 -7.315 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.249 -7.317 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.642 -7.684 3.463 1.00 0.00 H new ATOM 0 HG LEU A 76 0.684 -5.571 4.826 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.456 -3.897 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.142 -5.376 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.298 -5.076 3.326 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.450 -4.037 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.276 -5.229 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.314 -5.610 2.544 1.00 0.00 H new ATOM 1031 N ASP A 77 0.478 -8.806 6.385 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.510 -8.816 7.502 1.00 0.00 C ATOM 1033 C ASP A 77 0.217 -8.738 8.848 1.00 0.00 C ATOM 1034 O ASP A 77 -0.167 -8.002 9.738 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.322 -10.113 7.450 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.339 -10.139 8.592 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -3.349 -9.466 8.473 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -2.093 -10.837 9.562 1.00 0.00 O ATOM 0 H ASP A 77 0.530 -9.673 5.851 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.171 -7.956 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.836 -10.192 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.656 -10.972 7.526 1.00 0.00 H new ATOM 1043 N LYS A 78 1.267 -9.503 8.999 1.00 0.00 N ATOM 1044 CA LYS A 78 2.030 -9.500 10.282 1.00 0.00 C ATOM 1045 C LYS A 78 2.811 -8.190 10.425 1.00 0.00 C ATOM 1046 O LYS A 78 3.234 -7.816 11.503 1.00 0.00 O ATOM 1047 CB LYS A 78 3.007 -10.684 10.289 1.00 0.00 C ATOM 1048 CG LYS A 78 4.076 -10.498 9.200 1.00 0.00 C ATOM 1049 CD LYS A 78 5.007 -11.715 9.182 1.00 0.00 C ATOM 1050 CE LYS A 78 6.081 -11.535 8.103 1.00 0.00 C ATOM 1051 NZ LYS A 78 7.159 -10.643 8.617 1.00 0.00 N ATOM 0 H LYS A 78 1.630 -10.133 8.284 1.00 0.00 H new ATOM 0 HA LYS A 78 1.334 -9.590 11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.483 -10.766 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.464 -11.614 10.120 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.601 -10.376 8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.650 -9.591 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.477 -11.839 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.432 -12.621 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.498 -12.503 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.639 -11.107 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.887 -10.521 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.756 -9.716 8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.587 -11.068 9.464 1.00 0.00 H new ATOM 1065 N MET A 79 3.005 -7.495 9.341 1.00 0.00 N ATOM 1066 CA MET A 79 3.758 -6.209 9.395 1.00 0.00 C ATOM 1067 C MET A 79 2.884 -5.118 10.013 1.00 0.00 C ATOM 1068 O MET A 79 3.202 -4.553 11.043 1.00 0.00 O ATOM 1069 CB MET A 79 4.133 -5.788 7.973 1.00 0.00 C ATOM 1070 CG MET A 79 5.293 -6.642 7.462 1.00 0.00 C ATOM 1071 SD MET A 79 5.644 -6.206 5.740 1.00 0.00 S ATOM 1072 CE MET A 79 6.180 -4.501 6.034 1.00 0.00 C ATOM 0 H MET A 79 2.673 -7.762 8.414 1.00 0.00 H new ATOM 0 HA MET A 79 4.654 -6.345 10.000 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.272 -5.898 7.314 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.413 -4.735 7.959 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.178 -6.480 8.078 1.00 0.00 H new ATOM 0 HG3 MET A 79 5.042 -7.700 7.537 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.884 -4.202 5.258 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.314 -3.839 6.013 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.664 -4.435 7.008 1.00 0.00 H new ATOM 1082 N PHE A 80 1.791 -4.807 9.372 1.00 0.00 N ATOM 1083 CA PHE A 80 0.894 -3.734 9.888 1.00 0.00 C ATOM 1084 C PHE A 80 0.160 -4.207 11.148 1.00 0.00 C ATOM 1085 O PHE A 80 -0.317 -5.326 11.223 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.124 -3.355 8.789 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.439 -4.082 9.009 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -1.515 -5.463 8.808 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.567 -3.376 9.442 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -2.722 -6.139 9.034 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.773 -4.049 9.667 1.00 0.00 C ATOM 1092 CZ PHE A 80 -3.849 -5.432 9.465 1.00 0.00 C ATOM 0 H PHE A 80 1.479 -5.252 8.509 1.00 0.00 H new ATOM 0 HA PHE A 80 1.491 -2.861 10.151 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.291 -2.278 8.796 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.279 -3.609 7.809 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.644 -6.009 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.507 -2.310 9.603 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.782 -7.206 8.875 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.644 -3.502 9.996 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.778 -5.953 9.642 1.00 0.00 H new ATOM 1102 N GLN A 81 0.045 -3.351 12.123 1.00 0.00 N ATOM 1103 CA GLN A 81 -0.678 -3.721 13.370 1.00 0.00 C ATOM 1104 C GLN A 81 -1.556 -2.546 13.796 1.00 0.00 C ATOM 1105 O GLN A 81 -1.662 -2.230 14.965 1.00 0.00 O ATOM 1106 CB GLN A 81 0.335 -4.038 14.473 1.00 0.00 C ATOM 1107 CG GLN A 81 -0.356 -4.830 15.585 1.00 0.00 C ATOM 1108 CD GLN A 81 0.659 -5.215 16.658 1.00 0.00 C ATOM 1109 OE1 GLN A 81 1.850 -5.220 16.416 1.00 0.00 O ATOM 1110 NE2 GLN A 81 0.232 -5.545 17.846 1.00 0.00 N ATOM 0 H GLN A 81 0.424 -2.404 12.109 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.299 -4.600 13.195 1.00 0.00 H new ATOM 0 HB2 GLN A 81 1.166 -4.613 14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 81 0.753 -3.115 14.875 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.155 -4.233 16.025 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.818 -5.726 15.171 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.768 -5.540 18.048 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.898 -5.807 18.573 1.00 0.00 H new ATOM 1119 N GLU A 82 -2.190 -1.889 12.850 1.00 0.00 N ATOM 1120 CA GLU A 82 -3.069 -0.725 13.188 1.00 0.00 C ATOM 1121 C GLU A 82 -4.523 -1.061 12.825 1.00 0.00 C ATOM 1122 O GLU A 82 -4.776 -1.824 11.914 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.622 0.508 12.394 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.419 1.153 13.083 1.00 0.00 C ATOM 1125 CD GLU A 82 -0.309 0.115 13.253 1.00 0.00 C ATOM 1126 OE1 GLU A 82 0.212 -0.338 12.248 1.00 0.00 O ATOM 1127 OE2 GLU A 82 0.002 -0.211 14.387 1.00 0.00 O ATOM 0 H GLU A 82 -2.135 -2.111 11.856 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.995 -0.516 14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.360 0.222 11.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.441 1.224 12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.057 1.994 12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.713 1.549 14.055 1.00 0.00 H new ATOM 1134 N PRO A 83 -5.470 -0.490 13.529 1.00 0.00 N ATOM 1135 CA PRO A 83 -6.921 -0.726 13.270 1.00 0.00 C ATOM 1136 C PRO A 83 -7.372 -0.170 11.915 1.00 0.00 C ATOM 1137 O PRO A 83 -6.770 0.728 11.357 1.00 0.00 O ATOM 1138 CB PRO A 83 -7.628 -0.002 14.432 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.646 1.017 14.922 1.00 0.00 C ATOM 1140 CD PRO A 83 -5.260 0.438 14.654 1.00 0.00 C ATOM 0 HA PRO A 83 -7.156 -1.789 13.223 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.551 0.471 14.097 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.898 -0.701 15.224 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.778 1.966 14.402 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.787 1.213 15.985 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.544 1.219 14.398 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.868 -0.079 15.530 1.00 0.00 H new ATOM 1148 N ARG A 84 -8.435 -0.714 11.386 1.00 0.00 N ATOM 1149 CA ARG A 84 -8.945 -0.248 10.067 1.00 0.00 C ATOM 1150 C ARG A 84 -9.535 1.158 10.200 1.00 0.00 C ATOM 1151 O ARG A 84 -10.307 1.448 11.096 1.00 0.00 O ATOM 1152 CB ARG A 84 -10.020 -1.220 9.564 1.00 0.00 C ATOM 1153 CG ARG A 84 -9.373 -2.571 9.236 1.00 0.00 C ATOM 1154 CD ARG A 84 -10.433 -3.549 8.712 1.00 0.00 C ATOM 1155 NE ARG A 84 -11.387 -3.904 9.802 1.00 0.00 N ATOM 1156 CZ ARG A 84 -11.104 -4.857 10.654 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -9.972 -5.506 10.574 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -11.961 -5.160 11.590 1.00 0.00 N ATOM 0 H ARG A 84 -8.974 -1.466 11.815 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.122 -0.217 9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.793 -1.349 10.322 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -10.508 -0.813 8.678 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.590 -2.437 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.897 -2.981 10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.972 -3.100 7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.951 -4.450 8.332 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.269 -3.399 9.885 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.300 -5.271 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.761 -6.247 11.242 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.845 -4.656 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.747 -5.901 12.257 1.00 0.00 H new ATOM 1172 N LYS A 85 -9.167 2.028 9.299 1.00 0.00 N ATOM 1173 CA LYS A 85 -9.683 3.426 9.331 1.00 0.00 C ATOM 1174 C LYS A 85 -9.625 4.024 7.922 1.00 0.00 C ATOM 1175 O LYS A 85 -8.740 3.729 7.140 1.00 0.00 O ATOM 1176 CB LYS A 85 -8.844 4.271 10.289 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.358 4.116 9.955 1.00 0.00 C ATOM 1178 CD LYS A 85 -6.526 4.895 10.978 1.00 0.00 C ATOM 1179 CE LYS A 85 -5.036 4.698 10.690 1.00 0.00 C ATOM 1180 NZ LYS A 85 -4.647 5.519 9.510 1.00 0.00 N ATOM 0 H LYS A 85 -8.523 1.827 8.534 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.716 3.420 9.679 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.135 5.319 10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -9.029 3.962 11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.078 3.063 9.968 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.159 4.486 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.778 5.955 10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.759 4.553 11.986 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.445 4.988 11.559 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.827 3.645 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.638 5.373 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.215 5.234 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.816 6.524 9.716 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.576 4.856 7.599 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.618 5.483 6.247 1.00 0.00 C ATOM 1196 C GLY A 86 -9.656 6.672 6.160 1.00 0.00 C ATOM 1197 O GLY A 86 -9.137 7.151 7.152 1.00 0.00 O ATOM 0 H GLY A 86 -11.335 5.132 8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.355 4.743 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.633 5.816 6.028 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.430 7.147 4.962 1.00 0.00 N ATOM 1202 CA TYR A 87 -8.519 8.309 4.751 1.00 0.00 C ATOM 1203 C TYR A 87 -9.081 9.542 5.465 1.00 0.00 C ATOM 1204 O TYR A 87 -8.375 10.266 6.140 1.00 0.00 O ATOM 1205 CB TYR A 87 -8.415 8.588 3.248 1.00 0.00 C ATOM 1206 CG TYR A 87 -7.571 9.817 3.009 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -8.170 11.084 2.985 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -6.193 9.692 2.809 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -7.386 12.224 2.762 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -5.410 10.832 2.586 1.00 0.00 C ATOM 1211 CZ TYR A 87 -6.007 12.097 2.564 1.00 0.00 C ATOM 1212 OH TYR A 87 -5.234 13.221 2.346 1.00 0.00 O ATOM 0 H TYR A 87 -9.845 6.772 4.109 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.532 8.083 5.156 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.975 7.730 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -9.410 8.732 2.827 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.235 11.182 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.732 8.716 2.826 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.846 13.201 2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.346 10.734 2.431 1.00 0.00 H new ATOM 0 HH TYR A 87 -4.298 12.956 2.229 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.358 9.781 5.318 1.00 0.00 N ATOM 1223 CA ASP A 88 -10.985 10.961 5.981 1.00 0.00 C ATOM 1224 C ASP A 88 -10.919 10.794 7.500 1.00 0.00 C ATOM 1225 O ASP A 88 -10.792 11.754 8.236 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.449 11.078 5.538 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.209 9.791 5.880 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.577 8.847 6.326 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.413 9.770 5.685 1.00 0.00 O ATOM 0 H ASP A 88 -10.995 9.207 4.765 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.447 11.865 5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.919 11.929 6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.498 11.264 4.465 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.012 9.577 7.970 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.968 9.329 9.439 1.00 0.00 C ATOM 1236 C GLU A 89 -9.612 9.764 10.002 1.00 0.00 C ATOM 1237 O GLU A 89 -9.538 10.514 10.955 1.00 0.00 O ATOM 1238 CB GLU A 89 -11.163 7.834 9.704 1.00 0.00 C ATOM 1239 CG GLU A 89 -11.441 7.595 11.193 1.00 0.00 C ATOM 1240 CD GLU A 89 -10.149 7.770 11.994 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -9.097 7.455 11.464 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -10.235 8.210 13.130 1.00 0.00 O ATOM 0 H GLU A 89 -11.117 8.741 7.395 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.760 9.901 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.992 7.456 9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.273 7.284 9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.198 8.294 11.548 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.839 6.591 11.342 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.536 9.300 9.418 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.191 9.689 9.914 1.00 0.00 C ATOM 1251 C ILE A 90 -6.956 11.174 9.644 1.00 0.00 C ATOM 1252 O ILE A 90 -6.237 11.844 10.361 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.127 8.850 9.199 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -4.727 9.336 9.594 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.289 8.951 7.682 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -3.658 8.399 9.019 1.00 0.00 C ATOM 0 H ILE A 90 -8.536 8.668 8.618 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.128 9.510 10.987 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.253 7.810 9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.569 10.349 9.225 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.641 9.375 10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.524 8.348 7.193 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.276 8.586 7.396 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.183 9.991 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.669 8.755 9.307 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.809 7.392 9.409 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.735 8.382 7.932 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.554 11.689 8.607 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.364 13.127 8.271 1.00 0.00 C ATOM 1270 C LEU A 91 -7.887 13.998 9.416 1.00 0.00 C ATOM 1271 O LEU A 91 -7.260 14.958 9.823 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.148 13.454 6.992 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.963 14.935 6.622 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -6.471 15.236 6.398 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -8.753 15.242 5.342 1.00 0.00 C ATOM 0 H LEU A 91 -8.168 11.174 7.976 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.303 13.326 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -7.804 12.821 6.174 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.206 13.238 7.140 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.332 15.560 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.347 16.287 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.915 15.022 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.092 14.613 5.588 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.624 16.291 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.387 14.615 4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.811 15.038 5.509 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.037 13.664 9.939 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.617 14.459 11.060 1.00 0.00 C ATOM 1289 C GLU A 92 -9.129 13.874 12.389 1.00 0.00 C ATOM 1290 O GLU A 92 -8.928 14.573 13.366 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.149 14.380 10.989 1.00 0.00 C ATOM 1292 CG GLU A 92 -11.611 12.932 11.207 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.127 12.840 11.013 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.753 13.879 10.887 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -13.637 11.732 11.004 1.00 0.00 O ATOM 0 H GLU A 92 -9.602 12.871 9.636 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.304 15.500 10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.590 15.029 11.745 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.495 14.739 10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.104 12.269 10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.342 12.601 12.210 1.00 0.00 H new