USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 678 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 97 HIS : no HD1:sc= -4.66! C(o=-9!,f=-19!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.33! C(o=-9!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.593 X(o=-0.59,f=-0.17) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.144 USER MOD Single : A 24 TYR OH : rot 92:sc= 0.449! USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= -0.042 (180deg=-0.344) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 ASN : amide:sc= -3.36! C(o=-3.4!,f=-2.8!) USER MOD Single : A 33 ASN : amide:sc= -0.845 K(o=-0.85,f=-4.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.047 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= 0 X(o=0,f=-0.0079) USER MOD Single : A 43 ASN : amide:sc= -4.73 K(o=-4.7,f=-7.7!) USER MOD Single : A 48 SER OG : rot -104:sc=0.000983 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0282 USER MOD Single : A 54 ASN : amide:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 55 ASN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -0.0256 (180deg=-0.382) USER MOD Single : A 58 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1.3!) USER MOD Single : A 60 SER OG : rot 38:sc= 0.0256 USER MOD Single : A 62 THR OG1 : rot -53:sc= 1.05 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -0.125 (180deg=-0.528) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.755 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -151:sc= -0.313 (180deg=-1.42!) USER MOD Single : A 81 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.92) USER MOD Single : A 85 LYS NZ :NH3+ -139:sc= -0.0747 (180deg=-0.558) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.4!) USER MOD Single : A 94 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-6.7!) USER MOD Single : A 95 HIS : no HD1:sc= -0.418 X(o=-0.42,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 12 -6.355 12.611 -13.133 1.00 0.00 N ATOM 2 CA ALA A 12 -6.335 13.283 -11.802 1.00 0.00 C ATOM 3 C ALA A 12 -7.164 12.466 -10.808 1.00 0.00 C ATOM 4 O ALA A 12 -6.827 12.360 -9.645 1.00 0.00 O ATOM 5 CB ALA A 12 -6.937 14.684 -11.930 1.00 0.00 C ATOM 0 HA ALA A 12 -5.307 13.358 -11.448 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.923 15.176 -10.958 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.352 15.268 -12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.965 14.607 -12.283 1.00 0.00 H new ATOM 11 N PHE A 13 -8.244 11.890 -11.260 1.00 0.00 N ATOM 12 CA PHE A 13 -9.100 11.078 -10.350 1.00 0.00 C ATOM 13 C PHE A 13 -8.285 9.905 -9.805 1.00 0.00 C ATOM 14 O PHE A 13 -8.300 9.618 -8.624 1.00 0.00 O ATOM 15 CB PHE A 13 -10.302 10.539 -11.131 1.00 0.00 C ATOM 16 CG PHE A 13 -11.233 9.810 -10.191 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.082 10.535 -9.347 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.248 8.409 -10.162 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.945 9.863 -8.474 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.111 7.737 -9.290 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.960 8.463 -8.446 1.00 0.00 C ATOM 0 H PHE A 13 -8.571 11.947 -12.224 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.449 11.698 -9.524 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.830 11.359 -11.617 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.964 9.866 -11.919 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.071 11.615 -9.369 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.593 7.848 -10.813 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.599 10.424 -7.822 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.122 6.657 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.626 7.943 -7.773 1.00 0.00 H new ATOM 31 N PHE A 14 -7.569 9.231 -10.662 1.00 0.00 N ATOM 32 CA PHE A 14 -6.739 8.082 -10.214 1.00 0.00 C ATOM 33 C PHE A 14 -5.622 8.585 -9.296 1.00 0.00 C ATOM 34 O PHE A 14 -5.277 7.953 -8.318 1.00 0.00 O ATOM 35 CB PHE A 14 -6.122 7.393 -11.434 1.00 0.00 C ATOM 36 CG PHE A 14 -7.192 6.642 -12.193 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.479 5.312 -11.860 1.00 0.00 C ATOM 38 CD2 PHE A 14 -7.888 7.268 -13.234 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.463 4.611 -12.566 1.00 0.00 C ATOM 40 CE2 PHE A 14 -8.872 6.566 -13.940 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.160 5.238 -13.606 1.00 0.00 C ATOM 0 H PHE A 14 -7.524 9.430 -11.661 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.364 7.373 -9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.654 8.133 -12.083 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.338 6.706 -11.117 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.941 4.828 -11.059 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.666 8.293 -13.492 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.685 3.586 -12.309 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.409 7.049 -14.743 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.920 4.697 -14.150 1.00 0.00 H new ATOM 51 N ASN A 15 -5.054 9.718 -9.609 1.00 0.00 N ATOM 52 CA ASN A 15 -3.954 10.267 -8.766 1.00 0.00 C ATOM 53 C ASN A 15 -4.472 10.539 -7.352 1.00 0.00 C ATOM 54 O ASN A 15 -3.805 10.262 -6.376 1.00 0.00 O ATOM 55 CB ASN A 15 -3.452 11.573 -9.381 1.00 0.00 C ATOM 56 CG ASN A 15 -2.357 12.170 -8.494 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.559 13.193 -7.868 1.00 0.00 O ATOM 58 ND2 ASN A 15 -1.202 11.572 -8.412 1.00 0.00 N ATOM 0 H ASN A 15 -5.306 10.289 -10.416 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.140 9.544 -8.718 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.063 11.389 -10.383 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.276 12.279 -9.484 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -0.467 11.962 -7.822 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.033 10.714 -8.937 1.00 0.00 H new ATOM 65 N GLU A 16 -5.655 11.072 -7.235 1.00 0.00 N ATOM 66 CA GLU A 16 -6.211 11.351 -5.884 1.00 0.00 C ATOM 67 C GLU A 16 -6.413 10.027 -5.147 1.00 0.00 C ATOM 68 O GLU A 16 -6.079 9.892 -3.987 1.00 0.00 O ATOM 69 CB GLU A 16 -7.560 12.062 -6.030 1.00 0.00 C ATOM 70 CG GLU A 16 -7.349 13.464 -6.607 1.00 0.00 C ATOM 71 CD GLU A 16 -6.637 14.344 -5.578 1.00 0.00 C ATOM 72 OE1 GLU A 16 -6.509 13.911 -4.444 1.00 0.00 O ATOM 73 OE2 GLU A 16 -6.234 15.437 -5.938 1.00 0.00 O ATOM 0 H GLU A 16 -6.260 11.326 -8.016 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.524 11.985 -5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.216 11.486 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.053 12.129 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.758 13.406 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.309 13.905 -6.875 1.00 0.00 H new ATOM 80 N GLN A 17 -6.948 9.049 -5.821 1.00 0.00 N ATOM 81 CA GLN A 17 -7.168 7.724 -5.180 1.00 0.00 C ATOM 82 C GLN A 17 -5.815 7.098 -4.831 1.00 0.00 C ATOM 83 O GLN A 17 -5.653 6.475 -3.800 1.00 0.00 O ATOM 84 CB GLN A 17 -7.907 6.809 -6.161 1.00 0.00 C ATOM 85 CG GLN A 17 -9.344 7.302 -6.351 1.00 0.00 C ATOM 86 CD GLN A 17 -10.136 7.095 -5.059 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.815 7.990 -4.598 1.00 0.00 O ATOM 88 NE2 GLN A 17 -10.078 5.941 -4.452 1.00 0.00 N ATOM 0 H GLN A 17 -7.244 9.111 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.759 7.849 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.388 6.795 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.911 5.786 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.343 8.357 -6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.819 6.762 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.508 5.189 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.603 5.791 -3.590 1.00 0.00 H new ATOM 97 N LYS A 18 -4.849 7.256 -5.693 1.00 0.00 N ATOM 98 CA LYS A 18 -3.504 6.672 -5.439 1.00 0.00 C ATOM 99 C LYS A 18 -2.885 7.318 -4.196 1.00 0.00 C ATOM 100 O LYS A 18 -2.254 6.659 -3.392 1.00 0.00 O ATOM 101 CB LYS A 18 -2.606 6.944 -6.646 1.00 0.00 C ATOM 102 CG LYS A 18 -1.275 6.207 -6.467 1.00 0.00 C ATOM 103 CD LYS A 18 -0.349 6.490 -7.659 1.00 0.00 C ATOM 104 CE LYS A 18 -0.787 5.677 -8.885 1.00 0.00 C ATOM 105 NZ LYS A 18 0.276 5.744 -9.928 1.00 0.00 N ATOM 0 H LYS A 18 -4.936 7.770 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.599 5.598 -5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.098 6.613 -7.561 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.430 8.015 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.796 6.525 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.453 5.135 -6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.366 7.554 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.679 6.238 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.969 4.640 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.724 6.069 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.019 5.194 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.429 6.735 -10.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.160 5.350 -9.548 1.00 0.00 H new ATOM 119 N GLU A 19 -3.051 8.603 -4.042 1.00 0.00 N ATOM 120 CA GLU A 19 -2.466 9.297 -2.863 1.00 0.00 C ATOM 121 C GLU A 19 -3.142 8.796 -1.585 1.00 0.00 C ATOM 122 O GLU A 19 -2.507 8.623 -0.563 1.00 0.00 O ATOM 123 CB GLU A 19 -2.690 10.805 -2.999 1.00 0.00 C ATOM 124 CG GLU A 19 -2.011 11.529 -1.834 1.00 0.00 C ATOM 125 CD GLU A 19 -2.185 13.041 -1.993 1.00 0.00 C ATOM 126 OE1 GLU A 19 -2.531 13.467 -3.082 1.00 0.00 O ATOM 127 OE2 GLU A 19 -1.969 13.747 -1.022 1.00 0.00 O ATOM 0 H GLU A 19 -3.568 9.203 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.397 9.089 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.285 11.160 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.757 11.026 -3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.443 11.201 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.951 11.276 -1.805 1.00 0.00 H new ATOM 134 N LYS A 20 -4.424 8.561 -1.635 1.00 0.00 N ATOM 135 CA LYS A 20 -5.145 8.074 -0.427 1.00 0.00 C ATOM 136 C LYS A 20 -4.605 6.699 -0.020 1.00 0.00 C ATOM 137 O LYS A 20 -4.414 6.419 1.147 1.00 0.00 O ATOM 138 CB LYS A 20 -6.640 7.964 -0.740 1.00 0.00 C ATOM 139 CG LYS A 20 -7.228 9.365 -0.927 1.00 0.00 C ATOM 140 CD LYS A 20 -8.721 9.258 -1.246 1.00 0.00 C ATOM 141 CE LYS A 20 -9.314 10.659 -1.406 1.00 0.00 C ATOM 142 NZ LYS A 20 -10.770 10.550 -1.712 1.00 0.00 N ATOM 0 H LYS A 20 -5.005 8.686 -2.464 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.993 8.776 0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.791 7.372 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.155 7.447 0.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.081 9.956 -0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.710 9.883 -1.734 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.867 8.684 -2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.236 8.723 -0.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.165 11.235 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.802 11.193 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.174 11.502 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.900 10.016 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.252 10.056 -0.934 1.00 0.00 H new ATOM 156 N VAL A 21 -4.356 5.840 -0.972 1.00 0.00 N ATOM 157 CA VAL A 21 -3.828 4.485 -0.641 1.00 0.00 C ATOM 158 C VAL A 21 -2.443 4.623 -0.008 1.00 0.00 C ATOM 159 O VAL A 21 -2.128 3.974 0.970 1.00 0.00 O ATOM 160 CB VAL A 21 -3.717 3.654 -1.920 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.066 2.307 -1.598 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.113 3.419 -2.500 1.00 0.00 C ATOM 0 H VAL A 21 -4.496 6.019 -1.966 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.504 3.992 0.057 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.107 4.189 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.987 1.714 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.071 2.473 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.676 1.773 -0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.033 2.827 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.724 2.885 -1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.578 4.378 -2.730 1.00 0.00 H new ATOM 172 N THR A 22 -1.616 5.465 -0.563 1.00 0.00 N ATOM 173 CA THR A 22 -0.250 5.658 -0.006 1.00 0.00 C ATOM 174 C THR A 22 -0.363 6.182 1.424 1.00 0.00 C ATOM 175 O THR A 22 0.326 5.733 2.318 1.00 0.00 O ATOM 176 CB THR A 22 0.503 6.680 -0.863 1.00 0.00 C ATOM 177 OG1 THR A 22 0.634 6.180 -2.186 1.00 0.00 O ATOM 178 CG2 THR A 22 1.891 6.931 -0.273 1.00 0.00 C ATOM 0 H THR A 22 -1.830 6.031 -1.384 1.00 0.00 H new ATOM 0 HA THR A 22 0.289 4.710 -0.009 1.00 0.00 H new ATOM 0 HB THR A 22 -0.054 7.617 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.214 6.293 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.421 7.659 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.791 7.317 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.452 5.997 -0.252 1.00 0.00 H new ATOM 186 N LEU A 23 -1.230 7.133 1.643 1.00 0.00 N ATOM 187 CA LEU A 23 -1.391 7.693 3.011 1.00 0.00 C ATOM 188 C LEU A 23 -1.875 6.587 3.951 1.00 0.00 C ATOM 189 O LEU A 23 -1.410 6.459 5.065 1.00 0.00 O ATOM 190 CB LEU A 23 -2.425 8.827 2.981 1.00 0.00 C ATOM 191 CG LEU A 23 -2.539 9.482 4.369 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.219 10.182 4.737 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.680 10.509 4.353 1.00 0.00 C ATOM 0 H LEU A 23 -1.833 7.545 0.932 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.436 8.084 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.135 9.574 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.395 8.436 2.675 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.747 8.712 5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.313 10.641 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.411 9.450 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.996 10.951 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.764 10.975 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.471 11.274 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.617 10.008 4.108 1.00 0.00 H new ATOM 205 N TYR A 24 -2.804 5.786 3.505 1.00 0.00 N ATOM 206 CA TYR A 24 -3.320 4.685 4.362 1.00 0.00 C ATOM 207 C TYR A 24 -2.175 3.731 4.708 1.00 0.00 C ATOM 208 O TYR A 24 -1.993 3.347 5.846 1.00 0.00 O ATOM 209 CB TYR A 24 -4.407 3.920 3.599 1.00 0.00 C ATOM 210 CG TYR A 24 -4.810 2.696 4.384 1.00 0.00 C ATOM 211 CD1 TYR A 24 -5.817 2.779 5.351 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.166 1.475 4.146 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.181 1.642 6.081 1.00 0.00 C ATOM 214 CE2 TYR A 24 -4.528 0.339 4.877 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.536 0.422 5.844 1.00 0.00 C ATOM 216 OH TYR A 24 -5.892 -0.697 6.567 1.00 0.00 O ATOM 0 H TYR A 24 -3.229 5.848 2.580 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.738 5.099 5.280 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.273 4.562 3.438 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.039 3.629 2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.314 3.720 5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.390 1.411 3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.959 1.705 6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.030 -0.602 4.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.593 -1.186 6.088 1.00 0.00 H new ATOM 226 N LEU A 25 -1.406 3.344 3.729 1.00 0.00 N ATOM 227 CA LEU A 25 -0.275 2.414 3.985 1.00 0.00 C ATOM 228 C LEU A 25 0.742 3.082 4.911 1.00 0.00 C ATOM 229 O LEU A 25 1.269 2.468 5.816 1.00 0.00 O ATOM 230 CB LEU A 25 0.408 2.080 2.654 1.00 0.00 C ATOM 231 CG LEU A 25 -0.519 1.221 1.779 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.070 1.131 0.368 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.662 -0.196 2.372 1.00 0.00 C ATOM 0 H LEU A 25 -1.514 3.635 2.757 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.652 1.505 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.666 3.000 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.341 1.547 2.840 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.506 1.682 1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.581 0.523 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.153 2.132 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.058 0.674 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.322 -0.790 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.318 -0.671 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.084 -0.130 3.375 1.00 0.00 H new ATOM 245 N LYS A 26 1.021 4.332 4.686 1.00 0.00 N ATOM 246 CA LYS A 26 2.010 5.047 5.537 1.00 0.00 C ATOM 247 C LYS A 26 1.524 5.084 6.988 1.00 0.00 C ATOM 248 O LYS A 26 2.286 4.890 7.914 1.00 0.00 O ATOM 249 CB LYS A 26 2.159 6.479 5.017 1.00 0.00 C ATOM 250 CG LYS A 26 3.264 7.196 5.793 1.00 0.00 C ATOM 251 CD LYS A 26 3.485 8.587 5.195 1.00 0.00 C ATOM 252 CE LYS A 26 4.611 9.295 5.951 1.00 0.00 C ATOM 253 NZ LYS A 26 4.179 9.571 7.350 1.00 0.00 N ATOM 0 H LYS A 26 0.604 4.894 3.944 1.00 0.00 H new ATOM 0 HA LYS A 26 2.968 4.528 5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.397 6.467 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.217 7.016 5.127 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.989 7.280 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.187 6.619 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.738 8.504 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.567 9.171 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.507 8.675 5.952 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.869 10.227 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.804 10.288 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.200 9.923 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.231 8.695 7.909 1.00 0.00 H new ATOM 267 N HIS A 27 0.263 5.340 7.190 1.00 0.00 N ATOM 268 CA HIS A 27 -0.284 5.406 8.576 1.00 0.00 C ATOM 269 C HIS A 27 -0.286 4.009 9.203 1.00 0.00 C ATOM 270 O HIS A 27 -0.004 3.843 10.372 1.00 0.00 O ATOM 271 CB HIS A 27 -1.723 5.949 8.510 1.00 0.00 C ATOM 272 CG HIS A 27 -1.704 7.452 8.562 1.00 0.00 C ATOM 273 ND1 HIS A 27 -2.493 8.170 9.442 1.00 0.00 N ATOM 274 CD2 HIS A 27 -0.989 8.381 7.851 1.00 0.00 C ATOM 275 CE1 HIS A 27 -2.236 9.476 9.241 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.326 9.660 8.280 1.00 0.00 N ATOM 0 H HIS A 27 -0.419 5.508 6.450 1.00 0.00 H new ATOM 0 HA HIS A 27 0.335 6.062 9.188 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.206 5.614 7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.309 5.555 9.341 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.273 8.154 7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.708 10.278 9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.958 10.547 7.936 1.00 0.00 H new ATOM 284 N ASN A 28 -0.610 3.004 8.438 1.00 0.00 N ATOM 285 CA ASN A 28 -0.640 1.622 8.995 1.00 0.00 C ATOM 286 C ASN A 28 0.757 1.018 8.909 1.00 0.00 C ATOM 287 O ASN A 28 1.046 0.002 9.515 1.00 0.00 O ATOM 288 CB ASN A 28 -1.612 0.773 8.173 1.00 0.00 C ATOM 289 CG ASN A 28 -3.049 1.214 8.461 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.517 1.100 9.577 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.772 1.718 7.498 1.00 0.00 N ATOM 0 H ASN A 28 -0.855 3.080 7.451 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.964 1.648 10.035 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.394 0.879 7.110 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.488 -0.281 8.420 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.730 2.016 7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.379 1.814 6.562 1.00 0.00 H new ATOM 298 N ILE A 29 1.630 1.646 8.165 1.00 0.00 N ATOM 299 CA ILE A 29 3.024 1.133 8.023 1.00 0.00 C ATOM 300 C ILE A 29 4.006 2.307 8.107 1.00 0.00 C ATOM 301 O ILE A 29 4.476 2.805 7.104 1.00 0.00 O ATOM 302 CB ILE A 29 3.174 0.437 6.667 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.968 -0.478 6.430 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.457 -0.396 6.664 1.00 0.00 C ATOM 305 CD1 ILE A 29 2.159 -1.251 5.123 1.00 0.00 C ATOM 0 H ILE A 29 1.434 2.501 7.645 1.00 0.00 H new ATOM 0 HA ILE A 29 3.236 0.422 8.821 1.00 0.00 H new ATOM 0 HB ILE A 29 3.224 1.184 5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.857 -1.173 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.054 0.113 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.566 -0.893 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.314 0.255 6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.406 -1.145 7.454 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.300 -1.901 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.249 -0.548 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.064 -1.855 5.186 1.00 0.00 H new ATOM 317 N PRO A 30 4.322 2.739 9.300 1.00 0.00 N ATOM 318 CA PRO A 30 5.280 3.864 9.518 1.00 0.00 C ATOM 319 C PRO A 30 6.628 3.568 8.853 1.00 0.00 C ATOM 320 O PRO A 30 7.351 4.459 8.457 1.00 0.00 O ATOM 321 CB PRO A 30 5.423 3.935 11.050 1.00 0.00 C ATOM 322 CG PRO A 30 4.190 3.280 11.589 1.00 0.00 C ATOM 323 CD PRO A 30 3.799 2.212 10.569 1.00 0.00 C ATOM 0 HA PRO A 30 4.934 4.803 9.086 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.322 3.419 11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.502 4.967 11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.380 2.835 12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.388 4.006 11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.238 1.245 10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.719 2.071 10.530 1.00 0.00 H new ATOM 331 N ASP A 31 6.959 2.311 8.733 1.00 0.00 N ATOM 332 CA ASP A 31 8.246 1.923 8.098 1.00 0.00 C ATOM 333 C ASP A 31 8.060 1.899 6.579 1.00 0.00 C ATOM 334 O ASP A 31 8.884 1.386 5.847 1.00 0.00 O ATOM 335 CB ASP A 31 8.644 0.530 8.591 1.00 0.00 C ATOM 336 CG ASP A 31 8.966 0.591 10.087 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.061 1.689 10.608 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.111 -0.463 10.684 1.00 0.00 O ATOM 0 H ASP A 31 6.385 1.530 9.052 1.00 0.00 H new ATOM 0 HA ASP A 31 9.027 2.637 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.834 -0.176 8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.510 0.170 8.036 1.00 0.00 H new ATOM 343 N PHE A 32 6.972 2.442 6.107 1.00 0.00 N ATOM 344 CA PHE A 32 6.700 2.452 4.643 1.00 0.00 C ATOM 345 C PHE A 32 7.875 3.070 3.881 1.00 0.00 C ATOM 346 O PHE A 32 8.397 4.105 4.246 1.00 0.00 O ATOM 347 CB PHE A 32 5.426 3.266 4.374 1.00 0.00 C ATOM 348 CG PHE A 32 5.260 3.480 2.885 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.043 2.384 2.045 1.00 0.00 C ATOM 350 CD2 PHE A 32 5.329 4.773 2.347 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.896 2.577 0.668 1.00 0.00 C ATOM 352 CE2 PHE A 32 5.180 4.966 0.969 1.00 0.00 C ATOM 353 CZ PHE A 32 4.964 3.868 0.129 1.00 0.00 C ATOM 0 H PHE A 32 6.253 2.884 6.680 1.00 0.00 H new ATOM 0 HA PHE A 32 6.567 1.426 4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.558 2.743 4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.483 4.227 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.989 1.388 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.497 5.620 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.730 1.730 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.232 5.962 0.554 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.850 4.016 -0.935 1.00 0.00 H new ATOM 363 N ASN A 33 8.279 2.430 2.813 1.00 0.00 N ATOM 364 CA ASN A 33 9.410 2.941 1.984 1.00 0.00 C ATOM 365 C ASN A 33 8.871 3.431 0.639 1.00 0.00 C ATOM 366 O ASN A 33 8.965 4.596 0.308 1.00 0.00 O ATOM 367 CB ASN A 33 10.398 1.802 1.739 1.00 0.00 C ATOM 368 CG ASN A 33 11.595 2.323 0.944 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.551 3.408 0.399 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.668 1.588 0.853 1.00 0.00 N ATOM 0 H ASN A 33 7.865 1.561 2.476 1.00 0.00 H new ATOM 0 HA ASN A 33 9.906 3.762 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.733 1.387 2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.910 0.995 1.193 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.473 1.924 0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.703 0.677 1.311 1.00 0.00 H new ATOM 377 N THR A 34 8.308 2.547 -0.144 1.00 0.00 N ATOM 378 CA THR A 34 7.766 2.960 -1.472 1.00 0.00 C ATOM 379 C THR A 34 6.589 2.063 -1.857 1.00 0.00 C ATOM 380 O THR A 34 6.453 0.958 -1.373 1.00 0.00 O ATOM 381 CB THR A 34 8.863 2.843 -2.532 1.00 0.00 C ATOM 382 OG1 THR A 34 8.307 3.113 -3.813 1.00 0.00 O ATOM 383 CG2 THR A 34 9.449 1.430 -2.516 1.00 0.00 C ATOM 0 H THR A 34 8.200 1.558 0.079 1.00 0.00 H new ATOM 0 HA THR A 34 7.425 3.993 -1.412 1.00 0.00 H new ATOM 0 HB THR A 34 9.654 3.561 -2.317 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.007 3.041 -4.495 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.230 1.351 -3.272 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.873 1.223 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.662 0.707 -2.731 1.00 0.00 H new ATOM 391 N VAL A 35 5.737 2.539 -2.735 1.00 0.00 N ATOM 392 CA VAL A 35 4.553 1.736 -3.178 1.00 0.00 C ATOM 393 C VAL A 35 4.548 1.642 -4.703 1.00 0.00 C ATOM 394 O VAL A 35 4.727 2.624 -5.394 1.00 0.00 O ATOM 395 CB VAL A 35 3.267 2.423 -2.706 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.205 3.849 -3.261 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.055 1.631 -3.204 1.00 0.00 C ATOM 0 H VAL A 35 5.813 3.460 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 35 4.609 0.735 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 35 3.259 2.461 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.289 4.332 -2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.066 4.415 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.216 3.816 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.139 2.118 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.068 1.592 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.094 0.618 -2.805 1.00 0.00 H new ATOM 407 N THR A 36 4.344 0.458 -5.230 1.00 0.00 N ATOM 408 CA THR A 36 4.320 0.271 -6.715 1.00 0.00 C ATOM 409 C THR A 36 2.967 -0.305 -7.128 1.00 0.00 C ATOM 410 O THR A 36 2.577 -1.374 -6.703 1.00 0.00 O ATOM 411 CB THR A 36 5.436 -0.693 -7.122 1.00 0.00 C ATOM 412 OG1 THR A 36 6.696 -0.103 -6.829 1.00 0.00 O ATOM 413 CG2 THR A 36 5.342 -0.985 -8.621 1.00 0.00 C ATOM 0 H THR A 36 4.192 -0.394 -4.690 1.00 0.00 H new ATOM 0 HA THR A 36 4.472 1.230 -7.210 1.00 0.00 H new ATOM 0 HB THR A 36 5.332 -1.626 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.413 -0.719 -7.087 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.138 -1.672 -8.908 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.375 -1.436 -8.844 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.446 -0.055 -9.180 1.00 0.00 H new ATOM 421 N PHE A 37 2.251 0.403 -7.960 1.00 0.00 N ATOM 422 CA PHE A 37 0.917 -0.083 -8.417 1.00 0.00 C ATOM 423 C PHE A 37 1.075 -0.830 -9.738 1.00 0.00 C ATOM 424 O PHE A 37 1.835 -0.435 -10.598 1.00 0.00 O ATOM 425 CB PHE A 37 -0.010 1.114 -8.614 1.00 0.00 C ATOM 426 CG PHE A 37 -0.093 1.892 -7.323 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.990 1.498 -6.323 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.729 3.009 -7.126 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.063 2.218 -5.125 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.657 3.728 -5.927 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.241 3.335 -4.928 1.00 0.00 C ATOM 0 H PHE A 37 2.535 1.304 -8.345 1.00 0.00 H new ATOM 0 HA PHE A 37 0.493 -0.755 -7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.365 1.752 -9.414 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.002 0.776 -8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.626 0.638 -6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.418 3.315 -7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.753 1.912 -4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.294 4.586 -5.773 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.300 3.893 -4.005 1.00 0.00 H new ATOM 441 N THR A 38 0.353 -1.909 -9.901 1.00 0.00 N ATOM 442 CA THR A 38 0.434 -2.706 -11.162 1.00 0.00 C ATOM 443 C THR A 38 -0.924 -2.669 -11.859 1.00 0.00 C ATOM 444 O THR A 38 -1.009 -2.703 -13.072 1.00 0.00 O ATOM 445 CB THR A 38 0.794 -4.151 -10.816 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.145 -4.656 -9.878 1.00 0.00 O ATOM 447 CG2 THR A 38 2.198 -4.194 -10.212 1.00 0.00 C ATOM 0 H THR A 38 -0.297 -2.276 -9.206 1.00 0.00 H new ATOM 0 HA THR A 38 1.195 -2.290 -11.822 1.00 0.00 H new ATOM 0 HB THR A 38 0.771 -4.762 -11.718 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.082 -5.583 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.456 -5.224 -9.965 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.916 -3.803 -10.933 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.224 -3.586 -9.308 1.00 0.00 H new ATOM 455 N ASN A 39 -1.991 -2.598 -11.102 1.00 0.00 N ATOM 456 CA ASN A 39 -3.357 -2.557 -11.719 1.00 0.00 C ATOM 457 C ASN A 39 -4.236 -1.545 -10.983 1.00 0.00 C ATOM 458 O ASN A 39 -4.214 -1.446 -9.773 1.00 0.00 O ATOM 459 CB ASN A 39 -3.999 -3.944 -11.634 1.00 0.00 C ATOM 460 CG ASN A 39 -5.229 -3.997 -12.545 1.00 0.00 C ATOM 461 OD1 ASN A 39 -6.347 -3.910 -12.078 1.00 0.00 O ATOM 462 ND2 ASN A 39 -5.069 -4.138 -13.832 1.00 0.00 N ATOM 0 H ASN A 39 -1.977 -2.567 -10.083 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.265 -2.258 -12.763 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.280 -4.707 -11.932 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.286 -4.161 -10.605 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.883 -4.175 -14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.130 -4.211 -14.224 1.00 0.00 H new ATOM 469 N GLU A 40 -5.018 -0.795 -11.715 1.00 0.00 N ATOM 470 CA GLU A 40 -5.923 0.216 -11.093 1.00 0.00 C ATOM 471 C GLU A 40 -7.275 0.163 -11.802 1.00 0.00 C ATOM 472 O GLU A 40 -7.736 1.138 -12.357 1.00 0.00 O ATOM 473 CB GLU A 40 -5.311 1.612 -11.230 1.00 0.00 C ATOM 474 CG GLU A 40 -4.075 1.714 -10.335 1.00 0.00 C ATOM 475 CD GLU A 40 -3.424 3.086 -10.509 1.00 0.00 C ATOM 476 OE1 GLU A 40 -3.958 3.884 -11.262 1.00 0.00 O ATOM 477 OE2 GLU A 40 -2.402 3.319 -9.885 1.00 0.00 O ATOM 0 H GLU A 40 -5.068 -0.841 -12.733 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.055 -0.003 -10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.039 1.802 -12.268 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.041 2.371 -10.948 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.356 1.564 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.364 0.928 -10.590 1.00 0.00 H new ATOM 484 N GLU A 41 -7.909 -0.981 -11.786 1.00 0.00 N ATOM 485 CA GLU A 41 -9.233 -1.122 -12.458 1.00 0.00 C ATOM 486 C GLU A 41 -9.804 -2.513 -12.189 1.00 0.00 C ATOM 487 O GLU A 41 -9.294 -3.261 -11.380 1.00 0.00 O ATOM 488 CB GLU A 41 -9.069 -0.934 -13.972 1.00 0.00 C ATOM 489 CG GLU A 41 -8.049 -1.940 -14.512 1.00 0.00 C ATOM 490 CD GLU A 41 -7.849 -1.708 -16.012 1.00 0.00 C ATOM 491 OE1 GLU A 41 -8.819 -1.383 -16.675 1.00 0.00 O ATOM 492 OE2 GLU A 41 -6.728 -1.857 -16.469 1.00 0.00 O ATOM 0 H GLU A 41 -7.564 -1.827 -11.334 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.911 -0.365 -12.065 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.028 -1.072 -14.471 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.740 0.083 -14.188 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.100 -1.830 -13.986 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.396 -2.958 -14.334 1.00 0.00 H new ATOM 499 N PHE A 42 -10.862 -2.853 -12.873 1.00 0.00 N ATOM 500 CA PHE A 42 -11.502 -4.188 -12.695 1.00 0.00 C ATOM 501 C PHE A 42 -12.031 -4.326 -11.269 1.00 0.00 C ATOM 502 O PHE A 42 -11.330 -4.747 -10.369 1.00 0.00 O ATOM 503 CB PHE A 42 -10.494 -5.308 -12.986 1.00 0.00 C ATOM 504 CG PHE A 42 -11.225 -6.626 -13.114 1.00 0.00 C ATOM 505 CD1 PHE A 42 -11.877 -6.951 -14.310 1.00 0.00 C ATOM 506 CD2 PHE A 42 -11.250 -7.524 -12.039 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.552 -8.172 -14.432 1.00 0.00 C ATOM 508 CE2 PHE A 42 -11.924 -8.746 -12.162 1.00 0.00 C ATOM 509 CZ PHE A 42 -12.576 -9.069 -13.358 1.00 0.00 C ATOM 0 H PHE A 42 -11.318 -2.252 -13.559 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.332 -4.272 -13.396 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.950 -5.092 -13.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.757 -5.365 -12.185 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.859 -6.259 -15.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.750 -7.274 -11.115 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -13.054 -8.421 -15.355 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.941 -9.439 -11.334 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.097 -10.010 -13.452 1.00 0.00 H new ATOM 519 N ASN A 43 -13.274 -3.992 -11.063 1.00 0.00 N ATOM 520 CA ASN A 43 -13.867 -4.124 -9.710 1.00 0.00 C ATOM 521 C ASN A 43 -15.389 -3.871 -9.797 1.00 0.00 C ATOM 522 O ASN A 43 -15.808 -2.803 -10.199 1.00 0.00 O ATOM 523 CB ASN A 43 -13.235 -3.103 -8.761 1.00 0.00 C ATOM 524 CG ASN A 43 -13.385 -3.579 -7.313 1.00 0.00 C ATOM 525 OD1 ASN A 43 -14.381 -4.181 -6.960 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.436 -3.335 -6.456 1.00 0.00 N ATOM 0 H ASN A 43 -13.905 -3.632 -11.779 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.679 -5.128 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.180 -2.972 -9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.714 -2.132 -8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.528 -3.649 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.600 -2.830 -6.751 1.00 0.00 H new ATOM 533 N PRO A 44 -16.211 -4.830 -9.426 1.00 0.00 N ATOM 534 CA PRO A 44 -17.699 -4.669 -9.469 1.00 0.00 C ATOM 535 C PRO A 44 -18.163 -3.342 -8.857 1.00 0.00 C ATOM 536 O PRO A 44 -19.024 -2.669 -9.385 1.00 0.00 O ATOM 537 CB PRO A 44 -18.205 -5.845 -8.619 1.00 0.00 C ATOM 538 CG PRO A 44 -17.152 -6.898 -8.744 1.00 0.00 C ATOM 539 CD PRO A 44 -15.824 -6.167 -8.941 1.00 0.00 C ATOM 0 HA PRO A 44 -18.076 -4.661 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -18.344 -5.549 -7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.168 -6.206 -8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.121 -7.523 -7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.361 -7.556 -9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.263 -6.105 -8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.189 -6.683 -9.661 1.00 0.00 H new ATOM 547 N ILE A 45 -17.596 -2.969 -7.747 1.00 0.00 N ATOM 548 CA ILE A 45 -17.995 -1.694 -7.093 1.00 0.00 C ATOM 549 C ILE A 45 -17.501 -0.508 -7.924 1.00 0.00 C ATOM 550 O ILE A 45 -18.168 0.500 -8.043 1.00 0.00 O ATOM 551 CB ILE A 45 -17.388 -1.639 -5.688 1.00 0.00 C ATOM 552 CG1 ILE A 45 -17.957 -0.433 -4.924 1.00 0.00 C ATOM 553 CG2 ILE A 45 -15.864 -1.511 -5.787 1.00 0.00 C ATOM 554 CD1 ILE A 45 -19.465 -0.605 -4.682 1.00 0.00 C ATOM 0 H ILE A 45 -16.869 -3.495 -7.261 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.081 -1.643 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.639 -2.556 -5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.441 -0.324 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -17.776 0.481 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.436 -1.472 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.461 -2.371 -6.321 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.610 -0.598 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -19.847 0.260 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -19.980 -0.690 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -19.639 -1.507 -4.095 1.00 0.00 H new ATOM 566 N GLY A 46 -16.335 -0.618 -8.496 1.00 0.00 N ATOM 567 CA GLY A 46 -15.796 0.506 -9.315 1.00 0.00 C ATOM 568 C GLY A 46 -14.433 0.115 -9.886 1.00 0.00 C ATOM 569 O GLY A 46 -14.335 -0.404 -10.980 1.00 0.00 O ATOM 0 H GLY A 46 -15.731 -1.437 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.486 0.744 -10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.702 1.403 -8.703 1.00 0.00 H new ATOM 573 N ILE A 47 -13.378 0.361 -9.148 1.00 0.00 N ATOM 574 CA ILE A 47 -12.004 0.006 -9.633 1.00 0.00 C ATOM 575 C ILE A 47 -11.211 -0.666 -8.512 1.00 0.00 C ATOM 576 O ILE A 47 -11.438 -0.422 -7.344 1.00 0.00 O ATOM 577 CB ILE A 47 -11.283 1.271 -10.087 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.415 2.351 -9.009 1.00 0.00 C ATOM 579 CG2 ILE A 47 -11.909 1.763 -11.389 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.545 3.552 -9.384 1.00 0.00 C ATOM 0 H ILE A 47 -13.408 0.795 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.087 -0.686 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.227 1.055 -10.249 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.456 2.658 -8.912 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.108 1.954 -8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.398 2.667 -11.719 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.812 0.992 -12.153 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.964 1.982 -11.226 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.638 4.322 -8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.504 3.238 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -10.873 3.953 -10.343 1.00 0.00 H new ATOM 592 N SER A 48 -10.277 -1.516 -8.870 1.00 0.00 N ATOM 593 CA SER A 48 -9.447 -2.229 -7.846 1.00 0.00 C ATOM 594 C SER A 48 -7.984 -1.814 -7.994 1.00 0.00 C ATOM 595 O SER A 48 -7.435 -1.820 -9.078 1.00 0.00 O ATOM 596 CB SER A 48 -9.562 -3.738 -8.063 1.00 0.00 C ATOM 597 OG SER A 48 -8.569 -4.399 -7.293 1.00 0.00 O ATOM 0 H SER A 48 -10.052 -1.748 -9.837 1.00 0.00 H new ATOM 0 HA SER A 48 -9.802 -1.970 -6.849 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.554 -4.084 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.438 -3.976 -9.119 1.00 0.00 H new ATOM 0 HG SER A 48 -7.842 -4.693 -7.880 1.00 0.00 H new ATOM 603 N ILE A 49 -7.348 -1.466 -6.903 1.00 0.00 N ATOM 604 CA ILE A 49 -5.911 -1.055 -6.954 1.00 0.00 C ATOM 605 C ILE A 49 -5.051 -2.167 -6.363 1.00 0.00 C ATOM 606 O ILE A 49 -5.158 -2.495 -5.198 1.00 0.00 O ATOM 607 CB ILE A 49 -5.728 0.231 -6.148 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.565 1.343 -6.791 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.251 0.631 -6.149 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.562 2.580 -5.891 1.00 0.00 C ATOM 0 H ILE A 49 -7.766 -1.449 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.609 -0.878 -7.986 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.053 0.073 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.161 1.594 -7.772 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.587 0.998 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.122 1.548 -5.574 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.658 -0.166 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.919 0.796 -7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.158 3.367 -6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.987 2.325 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.539 2.931 -5.758 1.00 0.00 H new ATOM 622 N ASP A 50 -4.198 -2.749 -7.171 1.00 0.00 N ATOM 623 CA ASP A 50 -3.312 -3.855 -6.691 1.00 0.00 C ATOM 624 C ASP A 50 -1.854 -3.444 -6.862 1.00 0.00 C ATOM 625 O ASP A 50 -1.476 -2.851 -7.859 1.00 0.00 O ATOM 626 CB ASP A 50 -3.578 -5.113 -7.518 1.00 0.00 C ATOM 627 CG ASP A 50 -4.997 -5.609 -7.248 1.00 0.00 C ATOM 628 OD1 ASP A 50 -5.316 -5.827 -6.090 1.00 0.00 O ATOM 629 OD2 ASP A 50 -5.741 -5.766 -8.201 1.00 0.00 O ATOM 0 H ASP A 50 -4.077 -2.502 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.517 -4.056 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.453 -4.897 -8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.856 -5.888 -7.263 1.00 0.00 H new ATOM 634 N GLY A 51 -1.032 -3.759 -5.897 1.00 0.00 N ATOM 635 CA GLY A 51 0.407 -3.392 -5.993 1.00 0.00 C ATOM 636 C GLY A 51 1.160 -3.951 -4.788 1.00 0.00 C ATOM 637 O GLY A 51 0.644 -4.752 -4.037 1.00 0.00 O ATOM 0 H GLY A 51 -1.297 -4.255 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.833 -3.787 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.514 -2.308 -6.031 1.00 0.00 H new ATOM 641 N TYR A 52 2.382 -3.527 -4.596 1.00 0.00 N ATOM 642 CA TYR A 52 3.185 -4.025 -3.439 1.00 0.00 C ATOM 643 C TYR A 52 4.088 -2.916 -2.913 1.00 0.00 C ATOM 644 O TYR A 52 4.270 -1.896 -3.545 1.00 0.00 O ATOM 645 CB TYR A 52 4.031 -5.225 -3.870 1.00 0.00 C ATOM 646 CG TYR A 52 4.710 -4.929 -5.186 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.918 -4.222 -5.217 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.128 -5.370 -6.380 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.545 -3.961 -6.442 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.752 -5.109 -7.603 1.00 0.00 C ATOM 651 CZ TYR A 52 5.960 -4.403 -7.636 1.00 0.00 C ATOM 652 OH TYR A 52 6.578 -4.146 -8.842 1.00 0.00 O ATOM 0 H TYR A 52 2.861 -2.854 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 52 2.506 -4.334 -2.645 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.778 -5.447 -3.108 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.401 -6.109 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.366 -3.878 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.195 -5.913 -6.356 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.479 -3.419 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.302 -5.452 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 52 6.042 -4.522 -9.571 1.00 0.00 H new ATOM 662 N ILE A 53 4.641 -3.109 -1.738 1.00 0.00 N ATOM 663 CA ILE A 53 5.529 -2.067 -1.125 1.00 0.00 C ATOM 664 C ILE A 53 6.924 -2.636 -0.863 1.00 0.00 C ATOM 665 O ILE A 53 7.131 -3.833 -0.852 1.00 0.00 O ATOM 666 CB ILE A 53 4.915 -1.597 0.197 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.729 -2.788 1.145 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.559 -0.945 -0.073 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.222 -2.286 2.498 1.00 0.00 C ATOM 0 H ILE A 53 4.515 -3.949 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 53 5.618 -1.228 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 53 5.584 -0.873 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.020 -3.498 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.674 -3.317 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.122 -0.611 0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.692 -0.090 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.894 -1.669 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.089 -3.131 3.173 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.947 -1.592 2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.268 -1.776 2.363 1.00 0.00 H new ATOM 681 N ASN A 54 7.878 -1.766 -0.662 1.00 0.00 N ATOM 682 CA ASN A 54 9.280 -2.204 -0.402 1.00 0.00 C ATOM 683 C ASN A 54 9.762 -3.089 -1.554 1.00 0.00 C ATOM 684 O ASN A 54 10.552 -3.995 -1.372 1.00 0.00 O ATOM 685 CB ASN A 54 9.343 -2.967 0.929 1.00 0.00 C ATOM 686 CG ASN A 54 9.123 -1.983 2.081 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.957 -1.137 2.338 1.00 0.00 O ATOM 688 ND2 ASN A 54 8.028 -2.055 2.791 1.00 0.00 N ATOM 0 H ASN A 54 7.742 -0.755 -0.667 1.00 0.00 H new ATOM 0 HA ASN A 54 9.931 -1.332 -0.335 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.583 -3.748 0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.310 -3.460 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.874 -1.402 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.327 -2.764 2.577 1.00 0.00 H new ATOM 695 N ASN A 55 9.296 -2.818 -2.746 1.00 0.00 N ATOM 696 CA ASN A 55 9.718 -3.617 -3.935 1.00 0.00 C ATOM 697 C ASN A 55 9.692 -5.105 -3.592 1.00 0.00 C ATOM 698 O ASN A 55 10.459 -5.886 -4.119 1.00 0.00 O ATOM 699 CB ASN A 55 11.128 -3.202 -4.361 1.00 0.00 C ATOM 700 CG ASN A 55 11.182 -1.682 -4.528 1.00 0.00 C ATOM 701 OD1 ASN A 55 12.133 -1.048 -4.116 1.00 0.00 O ATOM 702 ND2 ASN A 55 10.196 -1.066 -5.123 1.00 0.00 N ATOM 0 H ASN A 55 8.634 -2.069 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 55 9.028 -3.431 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.855 -3.523 -3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.396 -3.691 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.225 -0.053 -5.242 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.397 -1.598 -5.469 1.00 0.00 H new ATOM 709 N ASP A 56 8.806 -5.502 -2.713 1.00 0.00 N ATOM 710 CA ASP A 56 8.700 -6.941 -2.320 1.00 0.00 C ATOM 711 C ASP A 56 7.410 -7.527 -2.894 1.00 0.00 C ATOM 712 O ASP A 56 6.320 -7.171 -2.493 1.00 0.00 O ATOM 713 CB ASP A 56 8.691 -7.050 -0.794 1.00 0.00 C ATOM 714 CG ASP A 56 10.097 -6.767 -0.255 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.025 -6.767 -1.047 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.221 -6.554 0.939 1.00 0.00 O ATOM 0 H ASP A 56 8.144 -4.883 -2.246 1.00 0.00 H new ATOM 0 HA ASP A 56 9.552 -7.496 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.978 -6.341 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.367 -8.046 -0.491 1.00 0.00 H new ATOM 721 N LYS A 57 7.535 -8.428 -3.829 1.00 0.00 N ATOM 722 CA LYS A 57 6.336 -9.053 -4.456 1.00 0.00 C ATOM 723 C LYS A 57 5.488 -9.739 -3.383 1.00 0.00 C ATOM 724 O LYS A 57 4.278 -9.789 -3.470 1.00 0.00 O ATOM 725 CB LYS A 57 6.798 -10.094 -5.479 1.00 0.00 C ATOM 726 CG LYS A 57 7.454 -9.391 -6.672 1.00 0.00 C ATOM 727 CD LYS A 57 7.932 -10.439 -7.679 1.00 0.00 C ATOM 728 CE LYS A 57 8.501 -9.741 -8.915 1.00 0.00 C ATOM 729 NZ LYS A 57 9.700 -8.945 -8.529 1.00 0.00 N ATOM 0 H LYS A 57 8.429 -8.762 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 57 5.738 -8.285 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.505 -10.783 -5.017 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.949 -10.688 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.743 -8.714 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.295 -8.785 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.693 -11.074 -7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.104 -11.088 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.769 -10.479 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.747 -9.091 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.249 -8.710 -9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.398 -8.068 -8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.291 -9.501 -7.878 1.00 0.00 H new ATOM 743 N ASN A 58 6.116 -10.271 -2.375 1.00 0.00 N ATOM 744 CA ASN A 58 5.358 -10.960 -1.295 1.00 0.00 C ATOM 745 C ASN A 58 4.438 -9.960 -0.588 1.00 0.00 C ATOM 746 O ASN A 58 3.329 -10.281 -0.211 1.00 0.00 O ATOM 747 CB ASN A 58 6.346 -11.534 -0.277 1.00 0.00 C ATOM 748 CG ASN A 58 7.130 -12.686 -0.906 1.00 0.00 C ATOM 749 OD1 ASN A 58 6.639 -13.364 -1.787 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.342 -12.935 -0.490 1.00 0.00 N ATOM 0 H ASN A 58 7.128 -10.259 -2.251 1.00 0.00 H new ATOM 0 HA ASN A 58 4.759 -11.761 -1.729 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.032 -10.755 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.810 -11.886 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.877 -13.698 -0.904 1.00 0.00 H new ATOM 0 HD22 ASN A 58 8.754 -12.366 0.249 1.00 0.00 H new ATOM 757 N LEU A 59 4.897 -8.753 -0.394 1.00 0.00 N ATOM 758 CA LEU A 59 4.061 -7.729 0.301 1.00 0.00 C ATOM 759 C LEU A 59 3.114 -7.073 -0.704 1.00 0.00 C ATOM 760 O LEU A 59 3.363 -5.982 -1.189 1.00 0.00 O ATOM 761 CB LEU A 59 4.975 -6.669 0.921 1.00 0.00 C ATOM 762 CG LEU A 59 6.013 -7.347 1.826 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.911 -6.281 2.458 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.307 -8.150 2.928 1.00 0.00 C ATOM 0 H LEU A 59 5.819 -8.430 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 59 3.473 -8.206 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.477 -6.103 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.384 -5.958 1.498 1.00 0.00 H new ATOM 0 HG LEU A 59 6.620 -8.027 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.649 -6.761 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.422 -5.724 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.303 -5.598 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.052 -8.627 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.692 -7.480 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.675 -8.913 2.474 1.00 0.00 H new ATOM 776 N SER A 60 2.027 -7.737 -1.019 1.00 0.00 N ATOM 777 CA SER A 60 1.046 -7.176 -1.998 1.00 0.00 C ATOM 778 C SER A 60 -0.184 -6.648 -1.263 1.00 0.00 C ATOM 779 O SER A 60 -0.477 -7.042 -0.152 1.00 0.00 O ATOM 780 CB SER A 60 0.613 -8.277 -2.967 1.00 0.00 C ATOM 781 OG SER A 60 -0.384 -7.764 -3.840 1.00 0.00 O ATOM 0 H SER A 60 1.777 -8.649 -0.637 1.00 0.00 H new ATOM 0 HA SER A 60 1.517 -6.360 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.469 -8.630 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.225 -9.133 -2.414 1.00 0.00 H new ATOM 0 HG SER A 60 -0.169 -6.837 -4.073 1.00 0.00 H new ATOM 787 N PHE A 61 -0.912 -5.757 -1.886 1.00 0.00 N ATOM 788 CA PHE A 61 -2.135 -5.195 -1.242 1.00 0.00 C ATOM 789 C PHE A 61 -3.202 -4.947 -2.304 1.00 0.00 C ATOM 790 O PHE A 61 -2.903 -4.594 -3.429 1.00 0.00 O ATOM 791 CB PHE A 61 -1.793 -3.873 -0.549 1.00 0.00 C ATOM 792 CG PHE A 61 -1.289 -2.867 -1.558 1.00 0.00 C ATOM 793 CD1 PHE A 61 0.081 -2.788 -1.840 1.00 0.00 C ATOM 794 CD2 PHE A 61 -2.186 -2.004 -2.200 1.00 0.00 C ATOM 795 CE1 PHE A 61 0.553 -1.847 -2.763 1.00 0.00 C ATOM 796 CE2 PHE A 61 -1.712 -1.064 -3.125 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.343 -0.985 -3.405 1.00 0.00 C ATOM 0 H PHE A 61 -0.710 -5.394 -2.817 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.510 -5.904 -0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.675 -3.481 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.036 -4.041 0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.773 -3.453 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.242 -2.063 -1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.609 -1.786 -2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.404 -0.400 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.022 -0.259 -4.116 1.00 0.00 H new ATOM 807 N THR A 62 -4.449 -5.126 -1.947 1.00 0.00 N ATOM 808 CA THR A 62 -5.566 -4.901 -2.915 1.00 0.00 C ATOM 809 C THR A 62 -6.620 -4.006 -2.270 1.00 0.00 C ATOM 810 O THR A 62 -7.046 -4.240 -1.156 1.00 0.00 O ATOM 811 CB THR A 62 -6.202 -6.242 -3.293 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.250 -7.035 -3.988 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.425 -6.001 -4.184 1.00 0.00 C ATOM 0 H THR A 62 -4.744 -5.422 -1.016 1.00 0.00 H new ATOM 0 HA THR A 62 -5.175 -4.422 -3.813 1.00 0.00 H new ATOM 0 HB THR A 62 -6.517 -6.763 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.887 -6.524 -4.742 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.875 -6.957 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.154 -5.395 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.118 -5.479 -5.090 1.00 0.00 H new ATOM 821 N ALA A 63 -7.045 -2.984 -2.966 1.00 0.00 N ATOM 822 CA ALA A 63 -8.077 -2.058 -2.409 1.00 0.00 C ATOM 823 C ALA A 63 -9.166 -1.832 -3.452 1.00 0.00 C ATOM 824 O ALA A 63 -8.897 -1.672 -4.625 1.00 0.00 O ATOM 825 CB ALA A 63 -7.424 -0.726 -2.047 1.00 0.00 C ATOM 0 H ALA A 63 -6.719 -2.749 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.518 -2.496 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.177 -0.050 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.646 -0.893 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.983 -0.283 -2.940 1.00 0.00 H new ATOM 831 N GLY A 64 -10.404 -1.827 -3.028 1.00 0.00 N ATOM 832 CA GLY A 64 -11.530 -1.622 -3.987 1.00 0.00 C ATOM 833 C GLY A 64 -11.951 -0.155 -3.988 1.00 0.00 C ATOM 834 O GLY A 64 -12.686 0.285 -3.131 1.00 0.00 O ATOM 0 H GLY A 64 -10.684 -1.957 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.225 -1.922 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.375 -2.252 -3.709 1.00 0.00 H new ATOM 838 N LYS A 65 -11.495 0.592 -4.960 1.00 0.00 N ATOM 839 CA LYS A 65 -11.860 2.037 -5.057 1.00 0.00 C ATOM 840 C LYS A 65 -11.776 2.716 -3.685 1.00 0.00 C ATOM 841 O LYS A 65 -10.789 3.342 -3.353 1.00 0.00 O ATOM 842 CB LYS A 65 -13.286 2.162 -5.597 1.00 0.00 C ATOM 843 CG LYS A 65 -13.616 3.639 -5.824 1.00 0.00 C ATOM 844 CD LYS A 65 -15.013 3.763 -6.434 1.00 0.00 C ATOM 845 CE LYS A 65 -15.333 5.239 -6.678 1.00 0.00 C ATOM 846 NZ LYS A 65 -14.590 5.708 -7.882 1.00 0.00 N ATOM 0 H LYS A 65 -10.877 0.258 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.158 2.528 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.383 1.609 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.993 1.724 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.571 4.182 -4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.877 4.090 -6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.063 3.209 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.754 3.325 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -16.405 5.372 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.052 5.833 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.069 6.540 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.619 5.964 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.563 4.948 -8.591 1.00 0.00 H new ATOM 860 N ASP A 66 -12.808 2.612 -2.896 1.00 0.00 N ATOM 861 CA ASP A 66 -12.800 3.263 -1.559 1.00 0.00 C ATOM 862 C ASP A 66 -11.889 2.486 -0.603 1.00 0.00 C ATOM 863 O ASP A 66 -12.043 1.293 -0.403 1.00 0.00 O ATOM 864 CB ASP A 66 -14.229 3.289 -1.016 1.00 0.00 C ATOM 865 CG ASP A 66 -15.051 4.316 -1.800 1.00 0.00 C ATOM 866 OD1 ASP A 66 -14.453 5.105 -2.514 1.00 0.00 O ATOM 867 OD2 ASP A 66 -16.264 4.296 -1.673 1.00 0.00 O ATOM 0 H ASP A 66 -13.661 2.101 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.421 4.281 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.681 2.301 -1.104 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.223 3.544 0.044 1.00 0.00 H new ATOM 872 N VAL A 67 -10.941 3.163 -0.007 1.00 0.00 N ATOM 873 CA VAL A 67 -10.011 2.487 0.939 1.00 0.00 C ATOM 874 C VAL A 67 -10.808 1.904 2.108 1.00 0.00 C ATOM 875 O VAL A 67 -10.262 1.282 2.997 1.00 0.00 O ATOM 876 CB VAL A 67 -8.988 3.505 1.463 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.002 2.813 2.417 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.218 4.112 0.282 1.00 0.00 C ATOM 0 H VAL A 67 -10.773 4.160 -0.138 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.487 1.682 0.425 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.512 4.294 2.002 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.279 3.542 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.548 2.387 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.478 2.019 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.492 4.835 0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.698 3.321 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.916 4.612 -0.389 1.00 0.00 H new ATOM 888 N LYS A 68 -12.101 2.095 2.109 1.00 0.00 N ATOM 889 CA LYS A 68 -12.936 1.549 3.217 1.00 0.00 C ATOM 890 C LYS A 68 -12.844 0.024 3.218 1.00 0.00 C ATOM 891 O LYS A 68 -12.749 -0.596 4.257 1.00 0.00 O ATOM 892 CB LYS A 68 -14.395 1.960 3.014 1.00 0.00 C ATOM 893 CG LYS A 68 -14.538 3.471 3.222 1.00 0.00 C ATOM 894 CD LYS A 68 -15.976 3.910 2.905 1.00 0.00 C ATOM 895 CE LYS A 68 -16.907 3.572 4.078 1.00 0.00 C ATOM 896 NZ LYS A 68 -18.239 4.203 3.849 1.00 0.00 N ATOM 0 H LYS A 68 -12.614 2.605 1.390 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.574 1.943 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.723 1.688 2.011 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.035 1.424 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.288 3.730 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.836 4.003 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.001 4.982 2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.324 3.412 2.000 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.015 2.491 4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.478 3.931 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.872 3.976 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.127 5.235 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.648 3.839 2.965 1.00 0.00 H new ATOM 910 N ILE A 69 -12.872 -0.586 2.056 1.00 0.00 N ATOM 911 CA ILE A 69 -12.787 -2.082 1.975 1.00 0.00 C ATOM 912 C ILE A 69 -11.507 -2.477 1.242 1.00 0.00 C ATOM 913 O ILE A 69 -11.326 -2.180 0.077 1.00 0.00 O ATOM 914 CB ILE A 69 -14.003 -2.621 1.215 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.267 -2.346 2.036 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.845 -4.130 1.003 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.507 -2.648 1.192 1.00 0.00 C ATOM 0 H ILE A 69 -12.950 -0.111 1.157 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.774 -2.503 2.980 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.081 -2.129 0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.269 -2.962 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.282 -1.306 2.362 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.710 -4.514 0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.941 -4.324 0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.771 -4.628 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.404 -2.451 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.507 -2.013 0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -16.495 -3.695 0.889 1.00 0.00 H new ATOM 929 N PHE A 70 -10.613 -3.149 1.925 1.00 0.00 N ATOM 930 CA PHE A 70 -9.333 -3.576 1.287 1.00 0.00 C ATOM 931 C PHE A 70 -8.952 -4.973 1.765 1.00 0.00 C ATOM 932 O PHE A 70 -9.374 -5.420 2.813 1.00 0.00 O ATOM 933 CB PHE A 70 -8.221 -2.590 1.649 1.00 0.00 C ATOM 934 CG PHE A 70 -8.008 -2.585 3.144 1.00 0.00 C ATOM 935 CD1 PHE A 70 -7.123 -3.498 3.731 1.00 0.00 C ATOM 936 CD2 PHE A 70 -8.690 -1.659 3.943 1.00 0.00 C ATOM 937 CE1 PHE A 70 -6.920 -3.484 5.116 1.00 0.00 C ATOM 938 CE2 PHE A 70 -8.488 -1.648 5.328 1.00 0.00 C ATOM 939 CZ PHE A 70 -7.603 -2.560 5.914 1.00 0.00 C ATOM 0 H PHE A 70 -10.717 -3.421 2.903 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.465 -3.592 0.205 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.297 -2.868 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.484 -1.589 1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.597 -4.213 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -9.371 -0.954 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.236 -4.187 5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.015 -0.935 5.945 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.447 -2.550 6.983 1.00 0.00 H new ATOM 949 N SER A 71 -8.150 -5.665 0.995 1.00 0.00 N ATOM 950 CA SER A 71 -7.712 -7.044 1.373 1.00 0.00 C ATOM 951 C SER A 71 -6.187 -7.071 1.482 1.00 0.00 C ATOM 952 O SER A 71 -5.487 -6.506 0.665 1.00 0.00 O ATOM 953 CB SER A 71 -8.162 -8.029 0.296 1.00 0.00 C ATOM 954 OG SER A 71 -7.584 -9.302 0.557 1.00 0.00 O ATOM 0 H SER A 71 -7.775 -5.328 0.108 1.00 0.00 H new ATOM 0 HA SER A 71 -8.154 -7.324 2.329 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.249 -8.105 0.287 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.859 -7.673 -0.689 1.00 0.00 H new ATOM 0 HG SER A 71 -7.871 -9.939 -0.130 1.00 0.00 H new ATOM 960 N SER A 72 -5.668 -7.717 2.496 1.00 0.00 N ATOM 961 CA SER A 72 -4.184 -7.781 2.678 1.00 0.00 C ATOM 962 C SER A 72 -3.769 -9.194 3.087 1.00 0.00 C ATOM 963 O SER A 72 -4.486 -9.895 3.773 1.00 0.00 O ATOM 964 CB SER A 72 -3.768 -6.795 3.767 1.00 0.00 C ATOM 965 OG SER A 72 -2.373 -6.920 4.000 1.00 0.00 O ATOM 0 H SER A 72 -6.210 -8.205 3.209 1.00 0.00 H new ATOM 0 HA SER A 72 -3.695 -7.523 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.008 -5.776 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.322 -6.993 4.685 1.00 0.00 H new ATOM 0 HG SER A 72 -2.100 -6.288 4.697 1.00 0.00 H new ATOM 971 N SER A 73 -2.611 -9.616 2.656 1.00 0.00 N ATOM 972 CA SER A 73 -2.128 -10.985 2.994 1.00 0.00 C ATOM 973 C SER A 73 -1.531 -11.004 4.404 1.00 0.00 C ATOM 974 O SER A 73 -1.368 -9.985 5.040 1.00 0.00 O ATOM 975 CB SER A 73 -1.055 -11.396 1.989 1.00 0.00 C ATOM 976 OG SER A 73 -1.515 -11.118 0.673 1.00 0.00 O ATOM 0 H SER A 73 -1.974 -9.066 2.080 1.00 0.00 H new ATOM 0 HA SER A 73 -2.967 -11.680 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.130 -10.855 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.831 -12.458 2.092 1.00 0.00 H new ATOM 0 HG SER A 73 -0.828 -11.379 0.024 1.00 0.00 H new ATOM 982 N GLU A 74 -1.200 -12.172 4.885 1.00 0.00 N ATOM 983 CA GLU A 74 -0.606 -12.298 6.245 1.00 0.00 C ATOM 984 C GLU A 74 0.773 -11.632 6.277 1.00 0.00 C ATOM 985 O GLU A 74 1.172 -11.057 7.271 1.00 0.00 O ATOM 986 CB GLU A 74 -0.458 -13.786 6.582 1.00 0.00 C ATOM 987 CG GLU A 74 0.547 -14.436 5.622 1.00 0.00 C ATOM 988 CD GLU A 74 0.561 -15.949 5.840 1.00 0.00 C ATOM 989 OE1 GLU A 74 0.357 -16.368 6.968 1.00 0.00 O ATOM 990 OE2 GLU A 74 0.785 -16.664 4.877 1.00 0.00 O ATOM 0 H GLU A 74 -1.318 -13.054 4.387 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.254 -11.809 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.120 -13.904 7.612 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.424 -14.284 6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.278 -14.210 4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.543 -14.025 5.789 1.00 0.00 H new ATOM 997 N GLU A 75 1.506 -11.722 5.201 1.00 0.00 N ATOM 998 CA GLU A 75 2.866 -11.118 5.162 1.00 0.00 C ATOM 999 C GLU A 75 2.760 -9.597 5.278 1.00 0.00 C ATOM 1000 O GLU A 75 3.616 -8.947 5.840 1.00 0.00 O ATOM 1001 CB GLU A 75 3.541 -11.486 3.841 1.00 0.00 C ATOM 1002 CG GLU A 75 3.799 -12.991 3.802 1.00 0.00 C ATOM 1003 CD GLU A 75 4.372 -13.376 2.437 1.00 0.00 C ATOM 1004 OE1 GLU A 75 3.856 -12.892 1.443 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.318 -14.146 2.409 1.00 0.00 O ATOM 0 H GLU A 75 1.218 -12.191 4.342 1.00 0.00 H new ATOM 0 HA GLU A 75 3.457 -11.498 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.908 -11.193 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.480 -10.943 3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.495 -13.272 4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.872 -13.534 3.985 1.00 0.00 H new ATOM 1012 N LEU A 76 1.718 -9.024 4.745 1.00 0.00 N ATOM 1013 CA LEU A 76 1.547 -7.544 4.827 1.00 0.00 C ATOM 1014 C LEU A 76 0.739 -7.203 6.086 1.00 0.00 C ATOM 1015 O LEU A 76 0.818 -6.112 6.612 1.00 0.00 O ATOM 1016 CB LEU A 76 0.806 -7.055 3.580 1.00 0.00 C ATOM 1017 CG LEU A 76 0.626 -5.531 3.627 1.00 0.00 C ATOM 1018 CD1 LEU A 76 1.996 -4.832 3.612 1.00 0.00 C ATOM 1019 CD2 LEU A 76 -0.186 -5.095 2.407 1.00 0.00 C ATOM 0 H LEU A 76 0.973 -9.518 4.253 1.00 0.00 H new ATOM 0 HA LEU A 76 2.520 -7.055 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.363 -7.334 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.168 -7.541 3.514 1.00 0.00 H new ATOM 0 HG LEU A 76 0.105 -5.254 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.854 -3.752 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.576 -5.149 4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.531 -5.099 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.322 -4.014 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.344 -5.377 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.160 -5.583 2.425 1.00 0.00 H new ATOM 1031 N ASP A 77 -0.045 -8.130 6.560 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.868 -7.876 7.777 1.00 0.00 C ATOM 1033 C ASP A 77 0.046 -7.666 8.989 1.00 0.00 C ATOM 1034 O ASP A 77 -0.224 -6.852 9.849 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.772 -9.087 8.026 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.792 -8.756 9.117 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.604 -7.761 9.797 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.748 -9.504 9.252 1.00 0.00 O ATOM 0 H ASP A 77 -0.152 -9.060 6.154 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.474 -6.982 7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.287 -9.364 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.171 -9.946 8.325 1.00 0.00 H new ATOM 1043 N LYS A 78 1.120 -8.404 9.069 1.00 0.00 N ATOM 1044 CA LYS A 78 2.045 -8.263 10.231 1.00 0.00 C ATOM 1045 C LYS A 78 2.783 -6.921 10.163 1.00 0.00 C ATOM 1046 O LYS A 78 3.408 -6.500 11.115 1.00 0.00 O ATOM 1047 CB LYS A 78 3.064 -9.411 10.207 1.00 0.00 C ATOM 1048 CG LYS A 78 3.946 -9.309 8.956 1.00 0.00 C ATOM 1049 CD LYS A 78 4.938 -10.475 8.927 1.00 0.00 C ATOM 1050 CE LYS A 78 5.870 -10.328 7.720 1.00 0.00 C ATOM 1051 NZ LYS A 78 6.870 -11.433 7.726 1.00 0.00 N ATOM 0 H LYS A 78 1.398 -9.101 8.378 1.00 0.00 H new ATOM 0 HA LYS A 78 1.467 -8.299 11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.684 -9.375 11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.544 -10.369 10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.326 -9.324 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.484 -8.361 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.520 -10.493 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 78 4.400 -11.422 8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.292 -10.351 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.377 -9.364 7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.503 -11.333 6.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.429 -11.391 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.377 -12.347 7.674 1.00 0.00 H new ATOM 1065 N MET A 79 2.718 -6.250 9.048 1.00 0.00 N ATOM 1066 CA MET A 79 3.419 -4.941 8.924 1.00 0.00 C ATOM 1067 C MET A 79 2.592 -3.844 9.598 1.00 0.00 C ATOM 1068 O MET A 79 3.044 -2.728 9.763 1.00 0.00 O ATOM 1069 CB MET A 79 3.600 -4.604 7.442 1.00 0.00 C ATOM 1070 CG MET A 79 4.608 -5.568 6.805 1.00 0.00 C ATOM 1071 SD MET A 79 6.253 -5.290 7.515 1.00 0.00 S ATOM 1072 CE MET A 79 6.523 -3.623 6.858 1.00 0.00 C ATOM 0 H MET A 79 2.210 -6.551 8.216 1.00 0.00 H new ATOM 0 HA MET A 79 4.393 -5.005 9.409 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.643 -4.672 6.925 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.948 -3.577 7.334 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.297 -6.599 6.975 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.637 -5.418 5.726 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.591 -3.456 6.717 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.011 -3.522 5.901 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.130 -2.887 7.560 1.00 0.00 H new ATOM 1082 N PHE A 80 1.383 -4.146 9.982 1.00 0.00 N ATOM 1083 CA PHE A 80 0.533 -3.113 10.636 1.00 0.00 C ATOM 1084 C PHE A 80 1.072 -2.806 12.030 1.00 0.00 C ATOM 1085 O PHE A 80 1.298 -3.693 12.830 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.904 -3.638 10.742 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.602 -3.466 9.412 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -1.212 -4.240 8.314 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.635 -2.530 9.276 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.851 -4.077 7.080 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.275 -2.368 8.044 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.884 -3.143 6.946 1.00 0.00 C ATOM 0 H PHE A 80 0.948 -5.062 9.871 1.00 0.00 H new ATOM 0 HA PHE A 80 0.547 -2.200 10.041 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.898 -4.690 11.029 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.443 -3.098 11.520 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.417 -4.964 8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.937 -1.933 10.124 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.547 -4.672 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.071 -1.645 7.939 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.380 -3.020 5.995 1.00 0.00 H new ATOM 1102 N GLN A 81 1.270 -1.545 12.328 1.00 0.00 N ATOM 1103 CA GLN A 81 1.790 -1.151 13.674 1.00 0.00 C ATOM 1104 C GLN A 81 0.682 -0.467 14.470 1.00 0.00 C ATOM 1105 O GLN A 81 0.508 -0.718 15.646 1.00 0.00 O ATOM 1106 CB GLN A 81 2.950 -0.165 13.504 1.00 0.00 C ATOM 1107 CG GLN A 81 3.576 0.149 14.869 1.00 0.00 C ATOM 1108 CD GLN A 81 4.218 -1.115 15.440 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.828 -1.879 14.717 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.103 -1.375 16.714 1.00 0.00 N ATOM 0 H GLN A 81 1.092 -0.767 11.692 1.00 0.00 H new ATOM 0 HA GLN A 81 2.131 -2.043 14.201 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.703 -0.587 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.592 0.754 13.039 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.325 0.935 14.765 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.814 0.523 15.553 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.591 -0.735 17.321 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.525 -2.219 17.102 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.053 0.418 13.845 1.00 0.00 N ATOM 1120 CA GLU A 82 -1.135 1.150 14.576 1.00 0.00 C ATOM 1121 C GLU A 82 -2.491 0.463 14.343 1.00 0.00 C ATOM 1122 O GLU A 82 -2.632 -0.350 13.451 1.00 0.00 O ATOM 1123 CB GLU A 82 -1.197 2.615 14.081 1.00 0.00 C ATOM 1124 CG GLU A 82 0.147 3.022 13.468 1.00 0.00 C ATOM 1125 CD GLU A 82 1.272 2.793 14.480 1.00 0.00 C ATOM 1126 OE1 GLU A 82 0.965 2.518 15.628 1.00 0.00 O ATOM 1127 OE2 GLU A 82 2.422 2.899 14.091 1.00 0.00 O ATOM 0 H GLU A 82 0.048 0.666 12.861 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.914 1.138 15.643 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.990 2.724 13.342 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.442 3.277 14.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.335 2.442 12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.119 4.071 13.173 1.00 0.00 H new ATOM 1134 N PRO A 83 -3.490 0.795 15.137 1.00 0.00 N ATOM 1135 CA PRO A 83 -4.855 0.198 14.997 1.00 0.00 C ATOM 1136 C PRO A 83 -5.454 0.451 13.605 1.00 0.00 C ATOM 1137 O PRO A 83 -5.205 1.465 12.984 1.00 0.00 O ATOM 1138 CB PRO A 83 -5.685 0.899 16.091 1.00 0.00 C ATOM 1139 CG PRO A 83 -4.683 1.428 17.068 1.00 0.00 C ATOM 1140 CD PRO A 83 -3.437 1.762 16.255 1.00 0.00 C ATOM 0 HA PRO A 83 -4.838 -0.886 15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.289 1.704 15.672 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.372 0.202 16.571 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.065 2.313 17.578 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.460 0.688 17.837 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.454 2.792 15.897 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.528 1.645 16.845 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.233 -0.475 13.114 1.00 0.00 N ATOM 1149 CA ARG A 84 -6.836 -0.314 11.768 1.00 0.00 C ATOM 1150 C ARG A 84 -7.799 0.875 11.752 1.00 0.00 C ATOM 1151 O ARG A 84 -8.736 0.945 12.521 1.00 0.00 O ATOM 1152 CB ARG A 84 -7.592 -1.598 11.418 1.00 0.00 C ATOM 1153 CG ARG A 84 -8.181 -1.484 10.014 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.875 -2.795 9.636 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.466 -2.666 8.271 1.00 0.00 N ATOM 1156 CZ ARG A 84 -10.067 -3.684 7.716 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -10.169 -4.817 8.356 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -10.570 -3.567 6.516 1.00 0.00 N ATOM 0 H ARG A 84 -6.477 -1.341 13.595 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.050 -0.127 11.036 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.919 -2.454 11.472 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.387 -1.772 12.143 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.893 -0.660 9.974 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.393 -1.259 9.296 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.160 -3.618 9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.654 -3.029 10.361 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.400 -1.780 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.778 -4.910 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.639 -5.609 7.918 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.493 -2.682 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.040 -4.361 6.080 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.572 1.803 10.858 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.460 2.997 10.746 1.00 0.00 C ATOM 1174 C LYS A 85 -8.709 3.309 9.270 1.00 0.00 C ATOM 1175 O LYS A 85 -7.827 3.192 8.441 1.00 0.00 O ATOM 1176 CB LYS A 85 -7.800 4.194 11.428 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.805 3.981 12.942 1.00 0.00 C ATOM 1178 CD LYS A 85 -7.204 5.207 13.626 1.00 0.00 C ATOM 1179 CE LYS A 85 -7.141 4.973 15.137 1.00 0.00 C ATOM 1180 NZ LYS A 85 -8.516 4.741 15.663 1.00 0.00 N ATOM 0 H LYS A 85 -6.799 1.783 10.193 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.412 2.790 11.235 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.777 4.313 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.334 5.110 11.177 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.823 3.816 13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.231 3.090 13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.205 5.400 13.236 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.807 6.089 13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.507 4.114 15.356 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.692 5.835 15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.630 5.239 16.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.214 5.099 14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.665 3.722 15.808 1.00 0.00 H new ATOM 1194 N GLY A 86 -9.912 3.694 8.938 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.243 4.003 7.518 1.00 0.00 C ATOM 1196 C GLY A 86 -9.624 5.337 7.098 1.00 0.00 C ATOM 1197 O GLY A 86 -9.056 6.049 7.899 1.00 0.00 O ATOM 0 H GLY A 86 -10.684 3.808 9.594 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.875 3.206 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.325 4.042 7.392 1.00 0.00 H new ATOM 1201 N TYR A 87 -9.741 5.667 5.839 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.177 6.945 5.318 1.00 0.00 C ATOM 1203 C TYR A 87 -9.835 8.133 6.034 1.00 0.00 C ATOM 1204 O TYR A 87 -9.181 9.085 6.430 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.466 7.020 3.813 1.00 0.00 C ATOM 1206 CG TYR A 87 -8.973 8.336 3.262 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.599 8.561 3.138 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.884 9.324 2.870 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -7.133 9.777 2.627 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -9.419 10.539 2.359 1.00 0.00 C ATOM 1211 CZ TYR A 87 -8.043 10.766 2.236 1.00 0.00 C ATOM 1212 OH TYR A 87 -7.584 11.965 1.732 1.00 0.00 O ATOM 0 H TYR A 87 -10.212 5.094 5.139 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.102 6.982 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.976 6.193 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.536 6.918 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.897 7.796 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.945 9.148 2.962 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.071 9.953 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -10.121 11.303 2.059 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.346 12.539 1.508 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.128 8.089 6.197 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.837 9.208 6.879 1.00 0.00 C ATOM 1224 C ASP A 88 -11.484 9.226 8.372 1.00 0.00 C ATOM 1225 O ASP A 88 -11.426 10.270 8.990 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.349 9.031 6.704 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.787 7.682 7.279 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.923 6.918 7.672 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.982 7.437 7.314 1.00 0.00 O ATOM 0 H ASP A 88 -11.726 7.324 5.886 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.526 10.154 6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.879 9.840 7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.610 9.088 5.647 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.257 8.078 8.956 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.918 8.026 10.407 1.00 0.00 C ATOM 1236 C GLU A 89 -9.558 8.687 10.660 1.00 0.00 C ATOM 1237 O GLU A 89 -9.394 9.445 11.594 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.854 6.563 10.857 1.00 0.00 C ATOM 1239 CG GLU A 89 -12.253 5.940 10.843 1.00 0.00 C ATOM 1240 CD GLU A 89 -13.134 6.618 11.895 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -12.582 7.204 12.812 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -14.344 6.549 11.761 1.00 0.00 O ATOM 0 H GLU A 89 -11.292 7.172 8.488 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.684 8.560 10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.192 6.001 10.198 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.432 6.502 11.860 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.700 6.051 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.187 4.871 11.045 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.582 8.403 9.841 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.235 9.013 10.043 1.00 0.00 C ATOM 1251 C ILE A 90 -7.309 10.529 9.832 1.00 0.00 C ATOM 1252 O ILE A 90 -6.673 11.288 10.535 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.227 8.388 9.068 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.772 8.465 7.643 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.995 6.922 9.445 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.706 8.002 6.649 1.00 0.00 C ATOM 0 H ILE A 90 -8.658 7.775 9.041 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.904 8.818 11.063 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.285 8.934 9.124 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.662 7.842 7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.074 9.487 7.415 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.279 6.477 8.753 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.602 6.865 10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.938 6.379 9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.104 8.060 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.828 8.643 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.425 6.972 6.870 1.00 0.00 H new ATOM 1268 N LEU A 91 -8.077 10.982 8.875 1.00 0.00 N ATOM 1269 CA LEU A 91 -8.171 12.451 8.640 1.00 0.00 C ATOM 1270 C LEU A 91 -8.758 13.130 9.880 1.00 0.00 C ATOM 1271 O LEU A 91 -8.298 14.171 10.307 1.00 0.00 O ATOM 1272 CB LEU A 91 -9.085 12.715 7.442 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.391 12.281 6.141 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -9.400 12.344 4.983 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -7.184 13.201 5.842 1.00 0.00 C ATOM 0 H LEU A 91 -8.639 10.402 8.251 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.177 12.851 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.022 12.171 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.336 13.775 7.393 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.027 11.260 6.252 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.912 12.037 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.235 11.676 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.769 13.364 4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.703 12.881 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.528 14.230 5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.469 13.142 6.663 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.764 12.541 10.467 1.00 0.00 N ATOM 1288 CA GLU A 92 -10.379 13.139 11.683 1.00 0.00 C ATOM 1289 C GLU A 92 -9.375 13.079 12.833 1.00 0.00 C ATOM 1290 O GLU A 92 -9.280 13.982 13.639 1.00 0.00 O ATOM 1291 CB GLU A 92 -11.621 12.330 12.065 1.00 0.00 C ATOM 1292 CG GLU A 92 -12.709 12.515 11.006 1.00 0.00 C ATOM 1293 CD GLU A 92 -13.903 11.618 11.343 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -13.848 10.955 12.366 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -14.849 11.610 10.574 1.00 0.00 O ATOM 0 H GLU A 92 -10.187 11.667 10.154 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.656 14.175 11.485 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.365 11.274 12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.990 12.652 13.039 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.023 13.558 10.969 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.319 12.264 10.020 1.00 0.00 H new ATOM 1302 N HIS A 93 -8.628 12.011 12.914 1.00 0.00 N ATOM 1303 CA HIS A 93 -7.631 11.872 14.011 1.00 0.00 C ATOM 1304 C HIS A 93 -6.341 12.591 13.617 1.00 0.00 C ATOM 1305 O HIS A 93 -5.547 12.093 12.843 1.00 0.00 O ATOM 1306 CB HIS A 93 -7.350 10.386 14.245 1.00 0.00 C ATOM 1307 CG HIS A 93 -8.525 9.760 14.951 1.00 0.00 C ATOM 1308 ND1 HIS A 93 -9.635 9.283 14.268 1.00 0.00 N ATOM 1309 CD2 HIS A 93 -8.777 9.530 16.281 1.00 0.00 C ATOM 1310 CE1 HIS A 93 -10.494 8.796 15.182 1.00 0.00 C ATOM 1311 NE2 HIS A 93 -10.020 8.921 16.424 1.00 0.00 N ATOM 0 H HIS A 93 -8.667 11.226 12.264 1.00 0.00 H new ATOM 0 HA HIS A 93 -8.021 12.315 14.927 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -7.173 9.884 13.294 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.446 10.265 14.842 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -9.774 9.299 13.258 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.111 9.783 17.093 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -11.451 8.357 14.940 1.00 0.00 H new ATOM 1319 N HIS A 94 -6.135 13.766 14.146 1.00 0.00 N ATOM 1320 CA HIS A 94 -4.911 14.543 13.810 1.00 0.00 C ATOM 1321 C HIS A 94 -3.731 14.061 14.647 1.00 0.00 C ATOM 1322 O HIS A 94 -3.894 13.428 15.672 1.00 0.00 O ATOM 1323 CB HIS A 94 -5.158 16.023 14.088 1.00 0.00 C ATOM 1324 CG HIS A 94 -3.925 16.806 13.735 1.00 0.00 C ATOM 1325 ND1 HIS A 94 -3.502 16.964 12.426 1.00 0.00 N ATOM 1326 CD2 HIS A 94 -3.012 17.477 14.509 1.00 0.00 C ATOM 1327 CE1 HIS A 94 -2.378 17.702 12.451 1.00 0.00 C ATOM 1328 NE2 HIS A 94 -2.035 18.043 13.697 1.00 0.00 N ATOM 0 H HIS A 94 -6.768 14.224 14.802 1.00 0.00 H new ATOM 0 HA HIS A 94 -4.679 14.398 12.755 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.008 16.378 13.505 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -5.409 16.171 15.138 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.047 17.554 15.586 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.820 17.985 11.571 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.231 18.598 13.989 1.00 0.00 H new ATOM 1336 N HIS A 95 -2.539 14.355 14.211 1.00 0.00 N ATOM 1337 CA HIS A 95 -1.333 13.917 14.963 1.00 0.00 C ATOM 1338 C HIS A 95 -1.071 14.858 16.145 1.00 0.00 C ATOM 1339 O HIS A 95 -0.964 16.057 15.992 1.00 0.00 O ATOM 1340 CB HIS A 95 -0.124 13.918 14.014 1.00 0.00 C ATOM 1341 CG HIS A 95 0.913 12.945 14.508 1.00 0.00 C ATOM 1342 ND1 HIS A 95 1.916 12.452 13.690 1.00 0.00 N ATOM 1343 CD2 HIS A 95 1.107 12.361 15.735 1.00 0.00 C ATOM 1344 CE1 HIS A 95 2.663 11.610 14.429 1.00 0.00 C ATOM 1345 NE2 HIS A 95 2.212 11.519 15.683 1.00 0.00 N ATOM 0 H HIS A 95 -2.348 14.884 13.360 1.00 0.00 H new ATOM 0 HA HIS A 95 -1.495 12.912 15.353 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.440 13.646 13.007 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.303 14.919 13.955 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.494 12.530 16.608 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.522 11.074 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.596 10.953 16.440 1.00 0.00 H new ATOM 1353 N HIS A 96 -0.954 14.304 17.318 1.00 0.00 N ATOM 1354 CA HIS A 96 -0.682 15.127 18.526 1.00 0.00 C ATOM 1355 C HIS A 96 0.713 15.747 18.414 1.00 0.00 C ATOM 1356 O HIS A 96 0.919 16.905 18.717 1.00 0.00 O ATOM 1357 CB HIS A 96 -0.733 14.223 19.757 1.00 0.00 C ATOM 1358 CG HIS A 96 -0.485 15.040 20.991 1.00 0.00 C ATOM 1359 ND1 HIS A 96 -1.451 15.874 21.528 1.00 0.00 N ATOM 1360 CD2 HIS A 96 0.613 15.163 21.804 1.00 0.00 C ATOM 1361 CE1 HIS A 96 -0.921 16.459 22.617 1.00 0.00 C ATOM 1362 NE2 HIS A 96 0.336 16.059 22.831 1.00 0.00 N ATOM 0 H HIS A 96 -1.037 13.302 17.492 1.00 0.00 H new ATOM 0 HA HIS A 96 -1.426 15.919 18.612 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -1.705 13.734 19.822 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.016 13.435 19.674 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.550 14.643 21.667 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.447 17.166 23.242 1.00 0.00 H new ATOM 0 HE2 HIS A 96 0.958 16.349 23.585 1.00 0.00 H new ATOM 1370 N HIS A 97 1.670 14.972 17.985 1.00 0.00 N ATOM 1371 CA HIS A 97 3.059 15.490 17.852 1.00 0.00 C ATOM 1372 C HIS A 97 3.087 16.627 16.831 1.00 0.00 C ATOM 1373 O HIS A 97 3.728 17.639 17.033 1.00 0.00 O ATOM 1374 CB HIS A 97 3.972 14.358 17.380 1.00 0.00 C ATOM 1375 CG HIS A 97 5.407 14.803 17.442 1.00 0.00 C ATOM 1376 ND1 HIS A 97 5.963 15.643 16.490 1.00 0.00 N ATOM 1377 CD2 HIS A 97 6.414 14.527 18.333 1.00 0.00 C ATOM 1378 CE1 HIS A 97 7.251 15.842 16.828 1.00 0.00 C ATOM 1379 NE2 HIS A 97 7.577 15.184 17.943 1.00 0.00 N ATOM 0 H HIS A 97 1.548 13.995 17.719 1.00 0.00 H new ATOM 0 HA HIS A 97 3.404 15.864 18.816 1.00 0.00 H new ATOM 0 HB2 HIS A 97 3.827 13.477 18.005 1.00 0.00 H new ATOM 0 HB3 HIS A 97 3.714 14.071 16.361 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.318 13.896 19.204 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.937 16.459 16.266 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.484 15.167 18.409 1.00 0.00 H new ATOM 1387 N HIS A 98 2.395 16.460 15.730 1.00 0.00 N ATOM 1388 CA HIS A 98 2.365 17.518 14.671 1.00 0.00 C ATOM 1389 C HIS A 98 0.914 17.915 14.392 1.00 0.00 C ATOM 1390 O HIS A 98 0.439 17.629 13.304 1.00 0.00 O ATOM 1391 CB HIS A 98 2.999 16.966 13.392 1.00 0.00 C ATOM 1392 CG HIS A 98 4.462 16.709 13.632 1.00 0.00 C ATOM 1393 ND1 HIS A 98 5.349 17.729 13.940 1.00 0.00 N ATOM 1394 CD2 HIS A 98 5.210 15.556 13.613 1.00 0.00 C ATOM 1395 CE1 HIS A 98 6.566 17.176 14.092 1.00 0.00 C ATOM 1396 NE2 HIS A 98 6.538 15.855 13.905 1.00 0.00 N ATOM 1397 OXT HIS A 98 0.302 18.496 15.271 1.00 0.00 O ATOM 0 H HIS A 98 1.844 15.628 15.518 1.00 0.00 H new ATOM 0 HA HIS A 98 2.922 18.393 15.007 1.00 0.00 H new ATOM 0 HB2 HIS A 98 2.500 16.044 13.094 1.00 0.00 H new ATOM 0 HB3 HIS A 98 2.872 17.675 12.574 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.826 14.569 13.403 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.458 17.734 14.336 1.00 0.00 H new ATOM 0 HE2 HIS A 98 7.321 15.204 13.963 1.00 0.00 H new TER 1405 HIS A 98