USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HEMFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD Set 1.1: A 46 TYR OH : rot 35:sc= 1.23 USER MOD Set 1.2: A 104 HEM CMD :methyl -30:sc= -0.598 (180deg=-2.67!) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.741 K(o=1.2,f=-0.21) USER MOD Set 2.2: A 63 ASN : amide:sc= 0.502 K(o=1.2,f=-0.86) USER MOD Set 3.1: A 39 GLN : amide:sc= 0.38 K(o=1.1,f=-1.1) USER MOD Set 3.2: A 56 ASN : amide:sc= 0.756 K(o=1.1,f=-0.88) USER MOD Set 4.1: A 40 SER OG : rot 99:sc= 1.17 USER MOD Set 4.2: A 52 ASN : amide:sc= 2.27 K(o=3.4,f=-5.7!) USER MOD Set 5.1: A 19 THR OG1 : rot -107:sc= 1.02 USER MOD Set 5.2: A 31 ASN : amide:sc= 1.63 K(o=2.7,f=-3.9!) USER MOD Set 6.1: A -5 THR OG1 : rot 180:sc= 0.27 USER MOD Set 6.2: A 99 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0.805) USER MOD Single : A 2 SER OG : rot 20:sc= 0.731 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 164:sc= 1.25 (180deg=0.995) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.016 USER MOD Single : A -2 LYS NZ :NH3+ 161:sc= 1.28 (180deg=0.996) USER MOD Single : A -5 THR N :NH3+ -139:sc= 0.646 (180deg=0.0943) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.516 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00918 K(o=-0.0092,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.13) USER MOD Single : A 33 HIS : no HD1:sc= -0.369 K(o=-0.37,f=-1.2) USER MOD Single : A 42 GLN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.153 USER MOD Single : A 48 TYR OH : rot 0:sc= -0.021 USER MOD Single : A 49 THR OG1 : rot 173:sc= 1.84 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= -0.271 (180deg=-0.381) USER MOD Single : A 64 MET CE :methyl -174:sc= -0.34 (180deg=-0.378) USER MOD Single : A 65 SER OG : rot 180:sc= -0.263 USER MOD Single : A 67 TYR OH : rot -133:sc= 0.437 USER MOD Single : A 69 THR OG1 : rot 86:sc= 0.67 USER MOD Single : A 70 ASN : amide:sc= 0.966 K(o=0.97,f=-0.89!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 THR OG1 : rot 160:sc= -0.369 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0386) USER MOD Single : A 87 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.11) USER MOD Single : A 89 LYS NZ :NH3+ 148:sc= 1.01 (180deg=0.271) USER MOD Single : A 92 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.014) USER MOD Single : A 96 THR OG1 : rot 72:sc= 2.09 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 2.33 (180deg=1.74) USER MOD Single : A 102 SER OG : rot -51:sc= 0.12 USER MOD Single : A 104 HEM CMA :methyl 150:sc= -0.344 (180deg=-0.344) USER MOD Single : A 104 HEM CMB :methyl 150:sc= -0.696 (180deg=-0.696) USER MOD Single : A 104 HEM CMC :methyl 150:sc= -0.656 (180deg=-0.656) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 7.763 -5.704 -15.662 1.00 0.00 N ATOM 2 CA THR A -5 6.472 -5.778 -14.967 1.00 0.00 C ATOM 3 C THR A -5 5.394 -6.031 -16.017 1.00 0.00 C ATOM 4 O THR A -5 5.612 -5.686 -17.177 1.00 0.00 O ATOM 5 CB THR A -5 6.259 -4.438 -14.250 1.00 0.00 C ATOM 6 OG1 THR A -5 6.938 -3.444 -15.008 1.00 0.00 O ATOM 7 CG2 THR A -5 6.860 -4.459 -12.843 1.00 0.00 C ATOM 0 H1 THR A -5 8.486 -6.204 -15.106 1.00 0.00 H new ATOM 0 H2 THR A -5 7.679 -6.148 -16.599 1.00 0.00 H new ATOM 0 H3 THR A -5 8.040 -4.708 -15.774 1.00 0.00 H new ATOM 0 HA THR A -5 6.436 -6.581 -14.231 1.00 0.00 H new ATOM 0 HB THR A -5 5.191 -4.239 -14.165 1.00 0.00 H new ATOM 0 HG1 THR A -5 6.822 -2.570 -14.580 1.00 0.00 H new ATOM 0 HG21 THR A -5 6.693 -3.496 -12.361 1.00 0.00 H new ATOM 0 HG22 THR A -5 6.385 -5.245 -12.256 1.00 0.00 H new ATOM 0 HG23 THR A -5 7.931 -4.651 -12.908 1.00 0.00 H new ATOM 8 N GLU A -4 4.286 -6.676 -15.644 1.00 0.00 N ATOM 9 CA GLU A -4 3.226 -6.990 -16.591 1.00 0.00 C ATOM 10 C GLU A -4 2.340 -5.759 -16.781 1.00 0.00 C ATOM 11 O GLU A -4 2.179 -5.278 -17.906 1.00 0.00 O ATOM 12 CB GLU A -4 2.433 -8.208 -16.101 1.00 0.00 C ATOM 13 CG GLU A -4 1.458 -8.691 -17.180 1.00 0.00 C ATOM 14 CD GLU A -4 0.651 -9.873 -16.669 1.00 0.00 C ATOM 15 OE1 GLU A -4 -0.308 -9.603 -15.916 1.00 0.00 O ATOM 16 OE2 GLU A -4 1.025 -11.008 -17.027 1.00 0.00 O ATOM 0 H GLU A -4 4.104 -6.989 -14.690 1.00 0.00 H new ATOM 0 HA GLU A -4 3.649 -7.250 -17.561 1.00 0.00 H new ATOM 0 HB2 GLU A -4 3.119 -9.013 -15.838 1.00 0.00 H new ATOM 0 HB3 GLU A -4 1.883 -7.950 -15.196 1.00 0.00 H new ATOM 0 HG2 GLU A -4 0.788 -7.880 -17.464 1.00 0.00 H new ATOM 0 HG3 GLU A -4 2.009 -8.978 -18.076 1.00 0.00 H new ATOM 17 N PHE A -3 1.783 -5.261 -15.673 1.00 0.00 N ATOM 18 CA PHE A -3 0.869 -4.128 -15.644 1.00 0.00 C ATOM 19 C PHE A -3 1.502 -2.886 -16.277 1.00 0.00 C ATOM 20 O PHE A -3 2.637 -2.512 -15.961 1.00 0.00 O ATOM 21 CB PHE A -3 0.426 -3.852 -14.202 1.00 0.00 C ATOM 22 CG PHE A -3 -0.256 -2.511 -14.007 1.00 0.00 C ATOM 23 CD1 PHE A -3 -1.633 -2.361 -14.248 1.00 0.00 C ATOM 24 CD2 PHE A -3 0.517 -1.388 -13.662 1.00 0.00 C ATOM 25 CE1 PHE A -3 -2.236 -1.098 -14.103 1.00 0.00 C ATOM 26 CE2 PHE A -3 -0.089 -0.136 -13.480 1.00 0.00 C ATOM 27 CZ PHE A -3 -1.465 0.008 -13.706 1.00 0.00 C ATOM 0 H PHE A -3 1.964 -5.650 -14.748 1.00 0.00 H new ATOM 0 HA PHE A -3 -0.011 -4.377 -16.237 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -0.254 -4.642 -13.885 1.00 0.00 H new ATOM 0 HB3 PHE A -3 1.298 -3.902 -13.550 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -2.227 -3.213 -14.544 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.585 -1.490 -13.536 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -3.292 -0.978 -14.297 1.00 0.00 H new ATOM 0 HE2 PHE A -3 0.501 0.713 -13.167 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.934 0.972 -13.575 1.00 0.00 H new ATOM 28 N LYS A -2 0.739 -2.242 -17.160 1.00 0.00 N ATOM 29 CA LYS A -2 1.112 -1.045 -17.890 1.00 0.00 C ATOM 30 C LYS A -2 0.122 0.043 -17.482 1.00 0.00 C ATOM 31 O LYS A -2 -1.046 -0.243 -17.225 1.00 0.00 O ATOM 32 CB LYS A -2 1.125 -1.332 -19.399 1.00 0.00 C ATOM 33 CG LYS A -2 1.897 -2.637 -19.646 1.00 0.00 C ATOM 34 CD LYS A -2 2.167 -2.929 -21.124 1.00 0.00 C ATOM 35 CE LYS A -2 3.050 -4.181 -21.274 1.00 0.00 C ATOM 36 NZ LYS A -2 2.490 -5.371 -20.591 1.00 0.00 N ATOM 0 H LYS A -2 -0.201 -2.562 -17.392 1.00 0.00 H new ATOM 0 HA LYS A -2 2.121 -0.709 -17.652 1.00 0.00 H new ATOM 0 HB2 LYS A -2 0.106 -1.419 -19.776 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.594 -0.508 -19.936 1.00 0.00 H new ATOM 0 HG2 LYS A -2 2.848 -2.591 -19.116 1.00 0.00 H new ATOM 0 HG3 LYS A -2 1.334 -3.467 -19.219 1.00 0.00 H new ATOM 0 HD2 LYS A -2 1.224 -3.077 -21.650 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.658 -2.073 -21.586 1.00 0.00 H new ATOM 0 HE2 LYS A -2 3.178 -4.404 -22.333 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.041 -3.970 -20.871 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 2.928 -6.231 -20.977 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 2.686 -5.310 -19.571 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 1.462 -5.408 -20.744 1.00 0.00 H new ATOM 37 N ALA A -1 0.629 1.260 -17.316 1.00 0.00 N ATOM 38 CA ALA A -1 0.010 2.262 -16.465 1.00 0.00 C ATOM 39 C ALA A -1 -1.123 3.039 -17.140 1.00 0.00 C ATOM 40 O ALA A -1 -1.189 3.127 -18.363 1.00 0.00 O ATOM 41 CB ALA A -1 1.110 3.175 -15.927 1.00 0.00 C ATOM 0 H ALA A -1 1.485 1.578 -17.771 1.00 0.00 H new ATOM 0 HA ALA A -1 -0.487 1.753 -15.639 1.00 0.00 H new ATOM 0 HB1 ALA A -1 0.669 3.937 -15.284 1.00 0.00 H new ATOM 0 HB2 ALA A -1 1.824 2.585 -15.353 1.00 0.00 H new ATOM 0 HB3 ALA A -1 1.623 3.656 -16.760 1.00 0.00 H new ATOM 42 N GLY A 1 -2.003 3.608 -16.309 1.00 0.00 N ATOM 43 CA GLY A 1 -3.186 4.355 -16.715 1.00 0.00 C ATOM 44 C GLY A 1 -2.887 5.837 -16.857 1.00 0.00 C ATOM 45 O GLY A 1 -2.897 6.411 -17.944 1.00 0.00 O ATOM 0 H GLY A 1 -1.901 3.555 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.556 3.965 -17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.978 4.211 -15.980 1.00 0.00 H new ATOM 46 N SER A 2 -2.652 6.459 -15.714 1.00 0.00 N ATOM 47 CA SER A 2 -2.329 7.872 -15.570 1.00 0.00 C ATOM 48 C SER A 2 -1.592 8.119 -14.253 1.00 0.00 C ATOM 49 O SER A 2 -1.993 7.614 -13.208 1.00 0.00 O ATOM 50 CB SER A 2 -3.609 8.712 -15.653 1.00 0.00 C ATOM 51 OG SER A 2 -4.046 8.787 -16.998 1.00 0.00 O ATOM 0 H SER A 2 -2.682 5.972 -14.819 1.00 0.00 H new ATOM 0 HA SER A 2 -1.669 8.172 -16.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.387 8.268 -15.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.424 9.713 -15.265 1.00 0.00 H new ATOM 0 HG SER A 2 -3.642 8.059 -17.514 1.00 0.00 H new ATOM 52 N ALA A 3 -0.489 8.873 -14.318 1.00 0.00 N ATOM 53 CA ALA A 3 0.293 9.267 -13.150 1.00 0.00 C ATOM 54 C ALA A 3 -0.499 10.266 -12.309 1.00 0.00 C ATOM 55 O ALA A 3 -0.654 10.107 -11.100 1.00 0.00 O ATOM 56 CB ALA A 3 1.622 9.872 -13.612 1.00 0.00 C ATOM 0 H ALA A 3 -0.113 9.229 -15.197 1.00 0.00 H new ATOM 0 HA ALA A 3 0.502 8.394 -12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.209 10.168 -12.742 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.177 9.133 -14.190 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.427 10.747 -14.233 1.00 0.00 H new ATOM 57 N LYS A 4 -1.008 11.312 -12.963 1.00 0.00 N ATOM 58 CA LYS A 4 -1.967 12.213 -12.344 1.00 0.00 C ATOM 59 C LYS A 4 -3.295 11.463 -12.177 1.00 0.00 C ATOM 60 O LYS A 4 -3.438 10.355 -12.687 1.00 0.00 O ATOM 61 CB LYS A 4 -2.112 13.487 -13.190 1.00 0.00 C ATOM 62 CG LYS A 4 -0.753 14.182 -13.388 1.00 0.00 C ATOM 63 CD LYS A 4 -0.859 15.492 -14.184 1.00 0.00 C ATOM 64 CE LYS A 4 -1.501 16.625 -13.368 1.00 0.00 C ATOM 65 NZ LYS A 4 -1.499 17.909 -14.100 1.00 0.00 N ATOM 0 H LYS A 4 -0.767 11.552 -13.925 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.626 12.530 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.539 13.235 -14.161 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.806 14.172 -12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.312 14.390 -12.413 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.076 13.503 -13.905 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.136 15.799 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.447 15.319 -15.085 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.526 16.354 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.963 16.744 -12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.941 18.644 -13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.520 18.183 -14.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.035 17.805 -14.985 1.00 0.00 H new ATOM 66 N LYS A 5 -4.249 12.039 -11.435 1.00 0.00 N ATOM 67 CA LYS A 5 -5.545 11.452 -11.086 1.00 0.00 C ATOM 68 C LYS A 5 -5.350 10.410 -9.983 1.00 0.00 C ATOM 69 O LYS A 5 -5.933 10.517 -8.904 1.00 0.00 O ATOM 70 CB LYS A 5 -6.275 10.890 -12.320 1.00 0.00 C ATOM 71 CG LYS A 5 -7.723 10.484 -12.019 1.00 0.00 C ATOM 72 CD LYS A 5 -8.282 9.703 -13.218 1.00 0.00 C ATOM 73 CE LYS A 5 -9.638 9.062 -12.884 1.00 0.00 C ATOM 74 NZ LYS A 5 -9.892 7.872 -13.717 1.00 0.00 N ATOM 0 H LYS A 5 -4.130 12.973 -11.043 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.198 12.235 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.269 11.639 -13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.730 10.024 -12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.763 9.871 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.331 11.369 -11.829 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.394 10.373 -14.071 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.574 8.928 -13.512 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.660 8.782 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.434 9.791 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.662 7.313 -13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.163 8.171 -14.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.030 7.292 -13.766 1.00 0.00 H new ATOM 75 N GLY A 6 -4.470 9.440 -10.225 1.00 0.00 N ATOM 76 CA GLY A 6 -4.063 8.463 -9.226 1.00 0.00 C ATOM 77 C GLY A 6 -3.585 9.160 -7.951 1.00 0.00 C ATOM 78 O GLY A 6 -3.891 8.728 -6.840 1.00 0.00 O ATOM 0 H GLY A 6 -4.017 9.312 -11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.899 7.803 -8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.265 7.838 -9.626 1.00 0.00 H new ATOM 79 N ALA A 7 -2.880 10.282 -8.121 1.00 0.00 N ATOM 80 CA ALA A 7 -2.474 11.160 -7.037 1.00 0.00 C ATOM 81 C ALA A 7 -3.677 11.577 -6.192 1.00 0.00 C ATOM 82 O ALA A 7 -3.639 11.491 -4.969 1.00 0.00 O ATOM 83 CB ALA A 7 -1.775 12.393 -7.619 1.00 0.00 C ATOM 0 H ALA A 7 -2.573 10.606 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.782 10.624 -6.388 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.469 13.054 -6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.897 12.081 -8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.462 12.923 -8.280 1.00 0.00 H new ATOM 84 N THR A 8 -4.744 12.043 -6.840 1.00 0.00 N ATOM 85 CA THR A 8 -5.946 12.527 -6.185 1.00 0.00 C ATOM 86 C THR A 8 -6.608 11.391 -5.402 1.00 0.00 C ATOM 87 O THR A 8 -7.085 11.574 -4.280 1.00 0.00 O ATOM 88 CB THR A 8 -6.874 13.093 -7.269 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.110 13.867 -8.177 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.986 13.956 -6.668 1.00 0.00 C ATOM 0 H THR A 8 -4.792 12.093 -7.858 1.00 0.00 H new ATOM 0 HA THR A 8 -5.713 13.313 -5.467 1.00 0.00 H new ATOM 0 HB THR A 8 -7.345 12.257 -7.786 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.697 14.230 -8.873 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.622 14.338 -7.467 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.585 13.354 -5.984 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.545 14.791 -6.124 1.00 0.00 H new ATOM 91 N LEU A 9 -6.625 10.193 -5.989 1.00 0.00 N ATOM 92 CA LEU A 9 -7.158 9.021 -5.339 1.00 0.00 C ATOM 93 C LEU A 9 -6.329 8.731 -4.089 1.00 0.00 C ATOM 94 O LEU A 9 -6.874 8.740 -2.988 1.00 0.00 O ATOM 95 CB LEU A 9 -7.171 7.863 -6.341 1.00 0.00 C ATOM 96 CG LEU A 9 -8.541 7.616 -6.992 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.579 7.112 -5.977 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.063 8.855 -7.726 1.00 0.00 C ATOM 0 H LEU A 9 -6.267 10.020 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.187 9.173 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.439 8.065 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.852 6.953 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.388 6.831 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.532 6.951 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.236 6.174 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.706 7.853 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.033 8.633 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.167 9.679 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.361 9.136 -8.511 1.00 0.00 H new ATOM 99 N PHE A 10 -5.014 8.545 -4.241 1.00 0.00 N ATOM 100 CA PHE A 10 -4.104 8.348 -3.118 1.00 0.00 C ATOM 101 C PHE A 10 -4.385 9.371 -2.016 1.00 0.00 C ATOM 102 O PHE A 10 -4.610 9.009 -0.861 1.00 0.00 O ATOM 103 CB PHE A 10 -2.648 8.439 -3.592 1.00 0.00 C ATOM 104 CG PHE A 10 -1.631 8.236 -2.488 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.224 6.936 -2.140 1.00 0.00 C ATOM 106 CD2 PHE A 10 -1.122 9.342 -1.780 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.335 6.742 -1.066 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.233 9.145 -0.709 1.00 0.00 C ATOM 109 CZ PHE A 10 0.148 7.844 -0.342 1.00 0.00 C ATOM 0 H PHE A 10 -4.553 8.527 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.267 7.353 -2.705 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.481 7.692 -4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.485 9.415 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.593 6.087 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.415 10.343 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.024 5.743 -0.798 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.157 9.994 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.812 7.691 0.496 1.00 0.00 H new ATOM 110 N LYS A 11 -4.420 10.650 -2.400 1.00 0.00 N ATOM 111 CA LYS A 11 -4.635 11.762 -1.487 1.00 0.00 C ATOM 112 C LYS A 11 -5.949 11.649 -0.714 1.00 0.00 C ATOM 113 O LYS A 11 -6.020 12.099 0.427 1.00 0.00 O ATOM 114 CB LYS A 11 -4.521 13.094 -2.238 1.00 0.00 C ATOM 115 CG LYS A 11 -3.041 13.386 -2.523 1.00 0.00 C ATOM 116 CD LYS A 11 -2.878 14.597 -3.445 1.00 0.00 C ATOM 117 CE LYS A 11 -1.381 14.828 -3.702 1.00 0.00 C ATOM 118 NZ LYS A 11 -1.133 16.012 -4.549 1.00 0.00 N ATOM 0 H LYS A 11 -4.297 10.940 -3.370 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.849 11.725 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.082 13.048 -3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.955 13.898 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.517 13.568 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.578 12.512 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.400 14.427 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.323 15.481 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.866 14.952 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.957 13.946 -4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.110 16.127 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.601 15.885 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.513 16.859 -4.081 1.00 0.00 H new ATOM 119 N THR A 12 -6.987 11.062 -1.314 1.00 0.00 N ATOM 120 CA THR A 12 -8.294 10.952 -0.679 1.00 0.00 C ATOM 121 C THR A 12 -8.541 9.572 -0.049 1.00 0.00 C ATOM 122 O THR A 12 -9.551 9.404 0.634 1.00 0.00 O ATOM 123 CB THR A 12 -9.385 11.348 -1.683 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.317 10.568 -2.867 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.284 12.829 -2.062 1.00 0.00 C ATOM 0 H THR A 12 -6.942 10.653 -2.247 1.00 0.00 H new ATOM 0 HA THR A 12 -8.325 11.648 0.159 1.00 0.00 H new ATOM 0 HB THR A 12 -10.339 11.164 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.568 10.876 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.071 13.077 -2.774 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.398 13.442 -1.168 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.311 13.023 -2.514 1.00 0.00 H new ATOM 126 N ARG A 13 -7.669 8.582 -0.283 1.00 0.00 N ATOM 127 CA ARG A 13 -7.850 7.204 0.181 1.00 0.00 C ATOM 128 C ARG A 13 -6.739 6.815 1.155 1.00 0.00 C ATOM 129 O ARG A 13 -7.002 6.366 2.266 1.00 0.00 O ATOM 130 CB ARG A 13 -7.816 6.228 -1.011 1.00 0.00 C ATOM 131 CG ARG A 13 -9.142 5.952 -1.736 1.00 0.00 C ATOM 132 CD ARG A 13 -9.889 7.194 -2.234 1.00 0.00 C ATOM 133 NE ARG A 13 -10.803 7.716 -1.208 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.739 8.653 -1.421 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.696 9.395 -2.530 1.00 0.00 N ATOM 136 NH2 ARG A 13 -12.708 8.843 -0.519 1.00 0.00 N ATOM 0 H ARG A 13 -6.806 8.720 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.816 7.146 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.106 6.614 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.422 5.276 -0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.942 5.303 -2.588 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.797 5.401 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.171 7.966 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.453 6.946 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.719 7.338 -0.264 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.953 9.249 -3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.407 10.108 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.734 8.276 0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.421 9.555 -0.679 1.00 0.00 H new ATOM 137 N CYS A 14 -5.493 6.900 0.691 1.00 0.00 N ATOM 138 CA CYS A 14 -4.355 6.216 1.283 1.00 0.00 C ATOM 139 C CYS A 14 -3.600 7.187 2.188 1.00 0.00 C ATOM 140 O CYS A 14 -3.217 6.844 3.309 1.00 0.00 O ATOM 141 CB CYS A 14 -3.454 5.695 0.188 1.00 0.00 C ATOM 142 SG CYS A 14 -4.306 4.820 -1.165 1.00 0.00 S ATOM 0 H CYS A 14 -5.246 7.460 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.697 5.371 1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.900 6.533 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.722 5.020 0.632 1.00 0.00 H new ATOM 143 N LEU A 15 -3.426 8.422 1.698 1.00 0.00 N ATOM 144 CA LEU A 15 -2.735 9.513 2.382 1.00 0.00 C ATOM 145 C LEU A 15 -3.240 9.681 3.813 1.00 0.00 C ATOM 146 O LEU A 15 -2.468 10.051 4.693 1.00 0.00 O ATOM 147 CB LEU A 15 -2.947 10.801 1.580 1.00 0.00 C ATOM 148 CG LEU A 15 -2.305 12.074 2.157 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.971 12.367 1.470 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.248 13.273 2.005 1.00 0.00 C ATOM 0 H LEU A 15 -3.777 8.694 0.780 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.671 9.282 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.557 10.646 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.019 10.972 1.483 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.121 11.906 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.535 13.272 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.291 11.529 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.135 12.509 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.775 14.163 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.463 13.435 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.178 13.075 2.539 1.00 0.00 H new ATOM 151 N GLN A 16 -4.527 9.413 4.049 1.00 0.00 N ATOM 152 CA GLN A 16 -5.113 9.316 5.379 1.00 0.00 C ATOM 153 C GLN A 16 -4.130 8.649 6.354 1.00 0.00 C ATOM 154 O GLN A 16 -3.745 9.245 7.362 1.00 0.00 O ATOM 155 CB GLN A 16 -6.424 8.523 5.255 1.00 0.00 C ATOM 156 CG GLN A 16 -7.191 8.394 6.578 1.00 0.00 C ATOM 157 CD GLN A 16 -8.471 7.572 6.424 1.00 0.00 C ATOM 158 OE1 GLN A 16 -8.721 6.965 5.387 1.00 0.00 O ATOM 159 NE2 GLN A 16 -9.304 7.541 7.459 1.00 0.00 N ATOM 0 H GLN A 16 -5.202 9.255 3.301 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.325 10.306 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.065 9.009 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.201 7.526 4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.549 7.927 7.325 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.441 9.388 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.077 8.053 8.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.170 7.006 7.401 1.00 0.00 H new ATOM 160 N CYS A 17 -3.706 7.428 6.025 1.00 0.00 N ATOM 161 CA CYS A 17 -2.999 6.530 6.928 1.00 0.00 C ATOM 162 C CYS A 17 -1.508 6.418 6.599 1.00 0.00 C ATOM 163 O CYS A 17 -0.707 6.163 7.502 1.00 0.00 O ATOM 164 CB CYS A 17 -3.633 5.169 6.843 1.00 0.00 C ATOM 165 SG CYS A 17 -5.277 5.154 7.627 1.00 0.00 S ATOM 0 H CYS A 17 -3.851 7.029 5.097 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.075 6.939 7.936 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.723 4.872 5.798 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.990 4.435 7.328 1.00 0.00 H new ATOM 166 N HIS A 18 -1.164 6.570 5.316 1.00 0.00 N ATOM 167 CA HIS A 18 0.169 6.379 4.748 1.00 0.00 C ATOM 168 C HIS A 18 0.840 7.695 4.353 1.00 0.00 C ATOM 169 O HIS A 18 0.259 8.775 4.463 1.00 0.00 O ATOM 170 CB HIS A 18 0.032 5.497 3.501 1.00 0.00 C ATOM 171 CG HIS A 18 -0.263 4.067 3.835 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.692 3.139 4.158 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.461 3.420 3.723 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.092 1.946 4.221 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.218 2.065 3.971 1.00 0.00 N ATOM 0 H HIS A 18 -1.847 6.844 4.610 1.00 0.00 H new ATOM 0 HA HIS A 18 0.796 5.915 5.509 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.764 5.890 2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.954 5.548 2.922 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.682 3.325 4.321 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.414 3.869 3.488 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.594 1.016 4.443 1.00 0.00 H new ATOM 176 N THR A 19 2.071 7.563 3.847 1.00 0.00 N ATOM 177 CA THR A 19 2.791 8.563 3.081 1.00 0.00 C ATOM 178 C THR A 19 3.519 7.885 1.912 1.00 0.00 C ATOM 179 O THR A 19 3.716 6.667 1.925 1.00 0.00 O ATOM 180 CB THR A 19 3.768 9.327 3.986 1.00 0.00 C ATOM 181 OG1 THR A 19 4.600 8.445 4.728 1.00 0.00 O ATOM 182 CG2 THR A 19 3.005 10.264 4.926 1.00 0.00 C ATOM 0 H THR A 19 2.612 6.708 3.972 1.00 0.00 H new ATOM 0 HA THR A 19 2.087 9.289 2.673 1.00 0.00 H new ATOM 0 HB THR A 19 4.415 9.923 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.319 8.443 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.712 10.798 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.432 10.981 4.338 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.327 9.681 5.549 1.00 0.00 H new ATOM 183 N VAL A 20 3.879 8.683 0.900 1.00 0.00 N ATOM 184 CA VAL A 20 4.571 8.262 -0.320 1.00 0.00 C ATOM 185 C VAL A 20 6.023 8.767 -0.335 1.00 0.00 C ATOM 186 O VAL A 20 6.864 8.212 -1.037 1.00 0.00 O ATOM 187 CB VAL A 20 3.748 8.741 -1.544 1.00 0.00 C ATOM 188 CG1 VAL A 20 4.490 9.700 -2.488 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.236 7.539 -2.344 1.00 0.00 C ATOM 0 H VAL A 20 3.686 9.685 0.911 1.00 0.00 H new ATOM 0 HA VAL A 20 4.640 7.175 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 20 2.921 9.312 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.834 9.979 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.784 10.595 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.379 9.207 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.660 7.890 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.082 6.948 -2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.601 6.922 -1.708 1.00 0.00 H new ATOM 190 N GLU A 21 6.307 9.845 0.403 1.00 0.00 N ATOM 191 CA GLU A 21 7.582 10.546 0.406 1.00 0.00 C ATOM 192 C GLU A 21 8.714 9.638 0.897 1.00 0.00 C ATOM 193 O GLU A 21 8.460 8.645 1.572 1.00 0.00 O ATOM 194 CB GLU A 21 7.426 11.766 1.321 1.00 0.00 C ATOM 195 CG GLU A 21 6.318 12.713 0.831 1.00 0.00 C ATOM 196 CD GLU A 21 5.778 13.545 1.980 1.00 0.00 C ATOM 197 OE1 GLU A 21 5.033 12.944 2.787 1.00 0.00 O ATOM 198 OE2 GLU A 21 6.122 14.744 2.032 1.00 0.00 O ATOM 0 H GLU A 21 5.626 10.264 1.036 1.00 0.00 H new ATOM 0 HA GLU A 21 7.846 10.854 -0.606 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.198 11.433 2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.371 12.307 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.710 13.368 0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.510 12.135 0.383 1.00 0.00 H new ATOM 199 N LYS A 22 9.968 9.979 0.585 1.00 0.00 N ATOM 200 CA LYS A 22 11.123 9.219 1.004 1.00 0.00 C ATOM 201 C LYS A 22 11.164 9.067 2.527 1.00 0.00 C ATOM 202 O LYS A 22 11.139 10.058 3.257 1.00 0.00 O ATOM 203 CB LYS A 22 12.372 9.931 0.486 1.00 0.00 C ATOM 204 CG LYS A 22 12.502 9.791 -1.036 1.00 0.00 C ATOM 205 CD LYS A 22 13.964 9.831 -1.494 1.00 0.00 C ATOM 206 CE LYS A 22 14.628 11.187 -1.212 1.00 0.00 C ATOM 207 NZ LYS A 22 16.051 11.196 -1.614 1.00 0.00 N ATOM 0 H LYS A 22 10.200 10.801 0.028 1.00 0.00 H new ATOM 0 HA LYS A 22 11.073 8.211 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.329 10.987 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.257 9.515 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.048 8.852 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.948 10.594 -1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.522 9.044 -0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.013 9.620 -2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.094 11.972 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.549 11.416 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.464 12.128 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.566 10.464 -1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.125 11.002 -2.633 1.00 0.00 H new ATOM 208 N GLY A 23 11.237 7.823 3.007 1.00 0.00 N ATOM 209 CA GLY A 23 11.230 7.513 4.427 1.00 0.00 C ATOM 210 C GLY A 23 9.822 7.707 4.978 1.00 0.00 C ATOM 211 O GLY A 23 9.118 6.729 5.207 1.00 0.00 O ATOM 0 H GLY A 23 11.303 6.999 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.558 6.486 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.932 8.158 4.955 1.00 0.00 H new ATOM 212 N GLY A 24 9.425 8.972 5.141 1.00 0.00 N ATOM 213 CA GLY A 24 8.089 9.405 5.526 1.00 0.00 C ATOM 214 C GLY A 24 7.646 8.937 6.921 1.00 0.00 C ATOM 215 O GLY A 24 8.162 7.963 7.466 1.00 0.00 O ATOM 0 H GLY A 24 10.062 9.756 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.050 10.494 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.375 9.037 4.789 1.00 0.00 H new ATOM 216 N PRO A 25 6.681 9.633 7.536 1.00 0.00 N ATOM 217 CA PRO A 25 6.113 9.215 8.803 1.00 0.00 C ATOM 218 C PRO A 25 5.235 7.975 8.608 1.00 0.00 C ATOM 219 O PRO A 25 4.300 7.974 7.801 1.00 0.00 O ATOM 220 CB PRO A 25 5.317 10.416 9.312 1.00 0.00 C ATOM 221 CG PRO A 25 4.921 11.149 8.029 1.00 0.00 C ATOM 222 CD PRO A 25 6.107 10.892 7.097 1.00 0.00 C ATOM 0 HA PRO A 25 6.875 8.928 9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.442 10.105 9.883 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.917 11.048 9.967 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.991 10.760 7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.770 12.214 8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.784 10.834 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.837 11.699 7.160 1.00 0.00 H new ATOM 223 N HIS A 26 5.524 6.931 9.386 1.00 0.00 N ATOM 224 CA HIS A 26 4.750 5.697 9.424 1.00 0.00 C ATOM 225 C HIS A 26 3.522 5.928 10.312 1.00 0.00 C ATOM 226 O HIS A 26 3.442 5.403 11.419 1.00 0.00 O ATOM 227 CB HIS A 26 5.632 4.550 9.944 1.00 0.00 C ATOM 228 CG HIS A 26 7.017 4.506 9.351 1.00 0.00 C ATOM 229 ND1 HIS A 26 7.335 4.182 8.055 1.00 0.00 N ATOM 230 CD2 HIS A 26 8.190 4.743 10.017 1.00 0.00 C ATOM 231 CE1 HIS A 26 8.675 4.201 7.952 1.00 0.00 C ATOM 232 NE2 HIS A 26 9.240 4.536 9.121 1.00 0.00 N ATOM 0 H HIS A 26 6.322 6.923 10.021 1.00 0.00 H new ATOM 0 HA HIS A 26 4.410 5.416 8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 26 5.717 4.637 11.027 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.133 3.603 9.739 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.286 5.038 11.052 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.223 3.977 7.049 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.237 4.622 9.316 1.00 0.00 H new ATOM 233 N LYS A 27 2.611 6.787 9.851 1.00 0.00 N ATOM 234 CA LYS A 27 1.533 7.351 10.653 1.00 0.00 C ATOM 235 C LYS A 27 0.615 6.276 11.251 1.00 0.00 C ATOM 236 O LYS A 27 0.763 5.909 12.414 1.00 0.00 O ATOM 237 CB LYS A 27 0.729 8.316 9.785 1.00 0.00 C ATOM 238 CG LYS A 27 1.475 9.592 9.398 1.00 0.00 C ATOM 239 CD LYS A 27 0.503 10.564 8.714 1.00 0.00 C ATOM 240 CE LYS A 27 -0.231 9.879 7.549 1.00 0.00 C ATOM 241 NZ LYS A 27 -1.026 10.816 6.740 1.00 0.00 N ATOM 0 H LYS A 27 2.606 7.115 8.885 1.00 0.00 H new ATOM 0 HA LYS A 27 1.978 7.878 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.424 7.799 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.182 8.590 10.317 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.907 10.056 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.301 9.354 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.222 10.930 9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.050 11.431 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.498 9.383 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.886 9.103 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.511 10.295 5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.732 11.284 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.399 11.532 6.322 1.00 0.00 H new ATOM 242 N VAL A 28 -0.374 5.810 10.478 1.00 0.00 N ATOM 243 CA VAL A 28 -1.189 4.666 10.859 1.00 0.00 C ATOM 244 C VAL A 28 -0.626 3.462 10.135 1.00 0.00 C ATOM 245 O VAL A 28 -0.390 2.440 10.773 1.00 0.00 O ATOM 246 CB VAL A 28 -2.673 4.887 10.532 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.490 3.597 10.665 1.00 0.00 C ATOM 248 CG2 VAL A 28 -3.261 5.889 11.517 1.00 0.00 C ATOM 0 H VAL A 28 -0.625 6.218 9.577 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.150 4.514 11.938 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.724 5.243 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.533 3.801 10.424 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.099 2.846 9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.419 3.225 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.315 6.049 11.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.165 5.502 12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.725 6.835 11.437 1.00 0.00 H new ATOM 249 N GLY A 29 -0.415 3.586 8.823 1.00 0.00 N ATOM 250 CA GLY A 29 0.289 2.595 8.033 1.00 0.00 C ATOM 251 C GLY A 29 1.756 2.993 7.882 1.00 0.00 C ATOM 252 O GLY A 29 2.132 4.115 8.227 1.00 0.00 O ATOM 0 H GLY A 29 -0.735 4.389 8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.216 1.618 8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.175 2.505 7.051 1.00 0.00 H new ATOM 253 N PRO A 30 2.594 2.085 7.364 1.00 0.00 N ATOM 254 CA PRO A 30 3.971 2.380 7.014 1.00 0.00 C ATOM 255 C PRO A 30 4.031 3.363 5.837 1.00 0.00 C ATOM 256 O PRO A 30 3.012 3.831 5.338 1.00 0.00 O ATOM 257 CB PRO A 30 4.603 1.021 6.688 1.00 0.00 C ATOM 258 CG PRO A 30 3.420 0.183 6.209 1.00 0.00 C ATOM 259 CD PRO A 30 2.262 0.708 7.055 1.00 0.00 C ATOM 0 HA PRO A 30 4.515 2.871 7.821 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.370 1.109 5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.079 0.580 7.563 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.235 0.318 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.588 -0.882 6.371 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.320 0.645 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.144 0.120 7.965 1.00 0.00 H new ATOM 260 N ASN A 31 5.238 3.677 5.377 1.00 0.00 N ATOM 261 CA ASN A 31 5.454 4.528 4.215 1.00 0.00 C ATOM 262 C ASN A 31 5.569 3.659 2.961 1.00 0.00 C ATOM 263 O ASN A 31 6.070 2.540 3.042 1.00 0.00 O ATOM 264 CB ASN A 31 6.733 5.323 4.435 1.00 0.00 C ATOM 265 CG ASN A 31 7.114 6.091 3.180 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.869 5.587 2.354 1.00 0.00 O ATOM 267 ND2 ASN A 31 6.574 7.292 3.010 1.00 0.00 N ATOM 0 H ASN A 31 6.101 3.344 5.806 1.00 0.00 H new ATOM 0 HA ASN A 31 4.618 5.214 4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.597 6.017 5.264 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.542 4.648 4.714 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.782 7.830 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.951 7.676 3.720 1.00 0.00 H new ATOM 268 N LEU A 32 5.101 4.162 1.813 1.00 0.00 N ATOM 269 CA LEU A 32 5.013 3.401 0.574 1.00 0.00 C ATOM 270 C LEU A 32 5.983 3.927 -0.495 1.00 0.00 C ATOM 271 O LEU A 32 5.646 3.938 -1.678 1.00 0.00 O ATOM 272 CB LEU A 32 3.547 3.420 0.107 1.00 0.00 C ATOM 273 CG LEU A 32 2.578 2.780 1.123 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.137 2.903 0.619 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.888 1.298 1.368 1.00 0.00 C ATOM 0 H LEU A 32 4.770 5.123 1.723 1.00 0.00 H new ATOM 0 HA LEU A 32 5.320 2.370 0.749 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.244 4.451 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.468 2.892 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 32 2.704 3.316 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.459 2.449 1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.883 3.956 0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.042 2.392 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.179 0.893 2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.805 0.749 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.901 1.198 1.758 1.00 0.00 H new ATOM 276 N HIS A 33 7.202 4.316 -0.106 1.00 0.00 N ATOM 277 CA HIS A 33 8.270 4.642 -1.047 1.00 0.00 C ATOM 278 C HIS A 33 9.089 3.390 -1.383 1.00 0.00 C ATOM 279 O HIS A 33 9.505 2.655 -0.489 1.00 0.00 O ATOM 280 CB HIS A 33 9.178 5.723 -0.457 1.00 0.00 C ATOM 281 CG HIS A 33 10.207 6.203 -1.447 1.00 0.00 C ATOM 282 ND1 HIS A 33 11.435 5.625 -1.676 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.040 7.207 -2.364 1.00 0.00 C ATOM 284 CE1 HIS A 33 12.004 6.281 -2.702 1.00 0.00 C ATOM 285 NE2 HIS A 33 11.201 7.263 -3.143 1.00 0.00 N ATOM 0 H HIS A 33 7.473 4.413 0.873 1.00 0.00 H new ATOM 0 HA HIS A 33 7.821 5.020 -1.966 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.570 6.566 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.681 5.330 0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.171 7.840 -2.467 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.975 6.050 -3.115 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.399 7.920 -3.897 1.00 0.00 H new ATOM 286 N GLY A 34 9.332 3.137 -2.672 1.00 0.00 N ATOM 287 CA GLY A 34 10.200 2.065 -3.159 1.00 0.00 C ATOM 288 C GLY A 34 9.650 0.653 -2.938 1.00 0.00 C ATOM 289 O GLY A 34 10.305 -0.331 -3.294 1.00 0.00 O ATOM 0 H GLY A 34 8.919 3.688 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.373 2.211 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.168 2.146 -2.665 1.00 0.00 H new ATOM 290 N ILE A 35 8.436 0.567 -2.386 1.00 0.00 N ATOM 291 CA ILE A 35 7.697 -0.655 -2.109 1.00 0.00 C ATOM 292 C ILE A 35 7.587 -1.511 -3.374 1.00 0.00 C ATOM 293 O ILE A 35 7.729 -2.729 -3.310 1.00 0.00 O ATOM 294 CB ILE A 35 6.341 -0.304 -1.464 1.00 0.00 C ATOM 295 CG1 ILE A 35 5.539 -1.559 -1.094 1.00 0.00 C ATOM 296 CG2 ILE A 35 5.445 0.621 -2.293 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.324 -1.624 0.409 1.00 0.00 C ATOM 0 H ILE A 35 7.918 1.400 -2.107 1.00 0.00 H new ATOM 0 HA ILE A 35 8.233 -1.270 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 35 6.626 0.247 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.577 -1.548 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.069 -2.450 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.516 0.807 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.960 1.566 -2.467 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.220 0.149 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.754 -2.519 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.290 -1.658 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.774 -0.742 0.736 1.00 0.00 H new ATOM 298 N PHE A 36 7.371 -0.887 -4.537 1.00 0.00 N ATOM 299 CA PHE A 36 7.247 -1.624 -5.780 1.00 0.00 C ATOM 300 C PHE A 36 8.559 -2.331 -6.088 1.00 0.00 C ATOM 301 O PHE A 36 9.533 -1.697 -6.489 1.00 0.00 O ATOM 302 CB PHE A 36 6.779 -0.727 -6.929 1.00 0.00 C ATOM 303 CG PHE A 36 5.269 -0.602 -6.958 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.503 -1.618 -7.562 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.635 0.326 -6.116 1.00 0.00 C ATOM 306 CE1 PHE A 36 3.113 -1.671 -7.358 1.00 0.00 C ATOM 307 CE2 PHE A 36 3.247 0.279 -5.931 1.00 0.00 C ATOM 308 CZ PHE A 36 2.475 -0.688 -6.585 1.00 0.00 C ATOM 0 H PHE A 36 7.280 0.124 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 36 6.473 -2.383 -5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.225 0.262 -6.824 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.129 -1.136 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.985 -2.358 -8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.220 1.079 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.534 -2.470 -7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.769 0.995 -5.279 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.399 -0.678 -6.496 1.00 0.00 H new ATOM 309 N GLY A 37 8.578 -3.645 -5.875 1.00 0.00 N ATOM 310 CA GLY A 37 9.733 -4.501 -6.094 1.00 0.00 C ATOM 311 C GLY A 37 10.631 -4.602 -4.858 1.00 0.00 C ATOM 312 O GLY A 37 11.786 -5.006 -4.977 1.00 0.00 O ATOM 0 H GLY A 37 7.763 -4.155 -5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.394 -5.498 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.314 -4.114 -6.931 1.00 0.00 H new ATOM 313 N ARG A 38 10.118 -4.229 -3.683 1.00 0.00 N ATOM 314 CA ARG A 38 10.714 -4.498 -2.384 1.00 0.00 C ATOM 315 C ARG A 38 9.708 -5.391 -1.668 1.00 0.00 C ATOM 316 O ARG A 38 8.516 -5.094 -1.677 1.00 0.00 O ATOM 317 CB ARG A 38 10.906 -3.184 -1.610 1.00 0.00 C ATOM 318 CG ARG A 38 12.309 -2.555 -1.658 1.00 0.00 C ATOM 319 CD ARG A 38 13.075 -2.659 -2.980 1.00 0.00 C ATOM 320 NE ARG A 38 12.372 -2.022 -4.105 1.00 0.00 N ATOM 321 CZ ARG A 38 12.826 -2.089 -5.370 1.00 0.00 C ATOM 322 NH1 ARG A 38 13.982 -2.713 -5.624 1.00 0.00 N ATOM 323 NH2 ARG A 38 12.142 -1.552 -6.380 1.00 0.00 N ATOM 0 H ARG A 38 9.242 -3.711 -3.614 1.00 0.00 H new ATOM 0 HA ARG A 38 11.694 -4.968 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.193 -2.455 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.648 -3.363 -0.566 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.215 -1.499 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.914 -3.018 -0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 38 14.055 -2.196 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.244 -3.710 -3.213 1.00 0.00 H new ATOM 0 HE ARG A 38 11.509 -1.511 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.513 -3.134 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.333 -2.768 -6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.256 -1.079 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.504 -1.614 -7.331 1.00 0.00 H new ATOM 324 N GLN A 39 10.168 -6.494 -1.071 1.00 0.00 N ATOM 325 CA GLN A 39 9.251 -7.408 -0.411 1.00 0.00 C ATOM 326 C GLN A 39 8.591 -6.701 0.772 1.00 0.00 C ATOM 327 O GLN A 39 9.004 -5.627 1.212 1.00 0.00 O ATOM 328 CB GLN A 39 9.961 -8.682 0.046 1.00 0.00 C ATOM 329 CG GLN A 39 9.068 -9.929 0.163 1.00 0.00 C ATOM 330 CD GLN A 39 9.873 -11.217 0.307 1.00 0.00 C ATOM 331 OE1 GLN A 39 9.513 -12.243 -0.262 1.00 0.00 O ATOM 332 NE2 GLN A 39 10.948 -11.201 1.089 1.00 0.00 N ATOM 0 H GLN A 39 11.150 -6.766 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 39 8.484 -7.706 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.769 -8.899 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.421 -8.493 1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.408 -9.819 1.024 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.432 -10.000 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.229 -10.337 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.492 -12.053 1.226 1.00 0.00 H new ATOM 333 N SER A 40 7.565 -7.348 1.292 1.00 0.00 N ATOM 334 CA SER A 40 6.712 -6.816 2.327 1.00 0.00 C ATOM 335 C SER A 40 7.460 -6.807 3.648 1.00 0.00 C ATOM 336 O SER A 40 8.345 -7.635 3.873 1.00 0.00 O ATOM 337 CB SER A 40 5.383 -7.584 2.362 1.00 0.00 C ATOM 338 OG SER A 40 5.530 -8.903 2.849 1.00 0.00 O ATOM 0 H SER A 40 7.298 -8.286 0.994 1.00 0.00 H new ATOM 0 HA SER A 40 6.450 -5.779 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.673 -7.046 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.960 -7.616 1.358 1.00 0.00 H new ATOM 0 HG SER A 40 5.276 -8.933 3.795 1.00 0.00 H new ATOM 339 N GLY A 41 7.138 -5.840 4.504 1.00 0.00 N ATOM 340 CA GLY A 41 7.864 -5.698 5.747 1.00 0.00 C ATOM 341 C GLY A 41 9.298 -5.196 5.504 1.00 0.00 C ATOM 342 O GLY A 41 10.251 -5.854 5.914 1.00 0.00 O ATOM 0 H GLY A 41 6.393 -5.159 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.338 -5.001 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.895 -6.657 6.264 1.00 0.00 H new ATOM 343 N GLN A 42 9.460 -4.025 4.869 1.00 0.00 N ATOM 344 CA GLN A 42 10.764 -3.428 4.547 1.00 0.00 C ATOM 345 C GLN A 42 11.056 -2.108 5.288 1.00 0.00 C ATOM 346 O GLN A 42 11.869 -1.313 4.823 1.00 0.00 O ATOM 347 CB GLN A 42 10.903 -3.261 3.026 1.00 0.00 C ATOM 348 CG GLN A 42 9.775 -2.388 2.455 1.00 0.00 C ATOM 349 CD GLN A 42 10.230 -1.327 1.448 1.00 0.00 C ATOM 350 OE1 GLN A 42 11.373 -1.307 1.004 1.00 0.00 O ATOM 351 NE2 GLN A 42 9.331 -0.415 1.081 1.00 0.00 N ATOM 0 H GLN A 42 8.672 -3.456 4.559 1.00 0.00 H new ATOM 0 HA GLN A 42 11.521 -4.124 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.868 -2.810 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.886 -4.240 2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.042 -3.035 1.973 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.266 -1.890 3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.385 -0.449 1.462 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.588 0.317 0.419 1.00 0.00 H new ATOM 352 N ALA A 43 10.403 -1.850 6.425 1.00 0.00 N ATOM 353 CA ALA A 43 10.523 -0.611 7.190 1.00 0.00 C ATOM 354 C ALA A 43 10.570 -0.924 8.689 1.00 0.00 C ATOM 355 O ALA A 43 9.533 -1.097 9.323 1.00 0.00 O ATOM 356 CB ALA A 43 9.358 0.324 6.850 1.00 0.00 C ATOM 0 H ALA A 43 9.759 -2.518 6.848 1.00 0.00 H new ATOM 0 HA ALA A 43 11.451 -0.106 6.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.452 1.246 7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.376 0.555 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.416 -0.163 7.100 1.00 0.00 H new ATOM 357 N GLU A 44 11.781 -1.009 9.245 1.00 0.00 N ATOM 358 CA GLU A 44 12.018 -1.308 10.651 1.00 0.00 C ATOM 359 C GLU A 44 11.437 -0.216 11.568 1.00 0.00 C ATOM 360 O GLU A 44 10.987 0.838 11.114 1.00 0.00 O ATOM 361 CB GLU A 44 13.529 -1.515 10.837 1.00 0.00 C ATOM 362 CG GLU A 44 13.961 -2.047 12.210 1.00 0.00 C ATOM 363 CD GLU A 44 15.420 -2.479 12.175 1.00 0.00 C ATOM 364 OE1 GLU A 44 15.654 -3.635 11.766 1.00 0.00 O ATOM 365 OE2 GLU A 44 16.267 -1.636 12.539 1.00 0.00 O ATOM 0 H GLU A 44 12.641 -0.868 8.714 1.00 0.00 H new ATOM 0 HA GLU A 44 11.499 -2.221 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.880 -2.208 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.032 -0.564 10.661 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.821 -1.275 12.967 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.332 -2.890 12.495 1.00 0.00 H new ATOM 366 N GLY A 45 11.446 -0.465 12.879 1.00 0.00 N ATOM 367 CA GLY A 45 11.085 0.513 13.896 1.00 0.00 C ATOM 368 C GLY A 45 9.573 0.612 14.077 1.00 0.00 C ATOM 369 O GLY A 45 9.067 0.452 15.186 1.00 0.00 O ATOM 0 H GLY A 45 11.710 -1.371 13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.547 0.239 14.844 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.482 1.489 13.618 1.00 0.00 H new ATOM 370 N TYR A 46 8.850 0.891 12.992 1.00 0.00 N ATOM 371 CA TYR A 46 7.396 0.972 13.019 1.00 0.00 C ATOM 372 C TYR A 46 6.771 -0.387 13.394 1.00 0.00 C ATOM 373 O TYR A 46 7.377 -1.447 13.229 1.00 0.00 O ATOM 374 CB TYR A 46 6.898 1.566 11.692 1.00 0.00 C ATOM 375 CG TYR A 46 5.423 1.360 11.416 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.441 2.226 11.935 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.031 0.229 10.690 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.078 1.964 11.700 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.681 -0.025 10.450 1.00 0.00 C ATOM 380 CZ TYR A 46 2.703 0.812 10.989 1.00 0.00 C ATOM 381 OH TYR A 46 1.400 0.495 10.780 1.00 0.00 O ATOM 0 H TYR A 46 9.258 1.066 12.074 1.00 0.00 H new ATOM 0 HA TYR A 46 7.065 1.650 13.806 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.108 2.636 11.688 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.471 1.126 10.876 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.733 3.090 12.513 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.780 -0.452 10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.324 2.646 12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.392 -0.872 9.845 1.00 0.00 H new ATOM 0 HH TYR A 46 0.879 1.316 10.657 1.00 0.00 H new ATOM 382 N SER A 47 5.556 -0.345 13.946 1.00 0.00 N ATOM 383 CA SER A 47 4.850 -1.456 14.562 1.00 0.00 C ATOM 384 C SER A 47 4.408 -2.505 13.533 1.00 0.00 C ATOM 385 O SER A 47 3.260 -2.523 13.094 1.00 0.00 O ATOM 386 CB SER A 47 3.679 -0.865 15.362 1.00 0.00 C ATOM 387 OG SER A 47 3.288 0.391 14.818 1.00 0.00 O ATOM 0 H SER A 47 5.013 0.518 13.973 1.00 0.00 H new ATOM 0 HA SER A 47 5.512 -2.002 15.235 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.835 -1.554 15.345 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.969 -0.742 16.405 1.00 0.00 H new ATOM 0 HG SER A 47 2.540 0.754 15.337 1.00 0.00 H new ATOM 388 N TYR A 48 5.336 -3.390 13.169 1.00 0.00 N ATOM 389 CA TYR A 48 5.152 -4.467 12.219 1.00 0.00 C ATOM 390 C TYR A 48 4.345 -5.636 12.798 1.00 0.00 C ATOM 391 O TYR A 48 3.971 -5.613 13.971 1.00 0.00 O ATOM 392 CB TYR A 48 6.569 -4.919 11.833 1.00 0.00 C ATOM 393 CG TYR A 48 7.194 -4.147 10.694 1.00 0.00 C ATOM 394 CD1 TYR A 48 6.603 -2.955 10.247 1.00 0.00 C ATOM 395 CD2 TYR A 48 8.205 -4.742 9.926 1.00 0.00 C ATOM 396 CE1 TYR A 48 6.811 -2.508 8.937 1.00 0.00 C ATOM 397 CE2 TYR A 48 8.515 -4.215 8.666 1.00 0.00 C ATOM 398 CZ TYR A 48 7.769 -3.141 8.145 1.00 0.00 C ATOM 399 OH TYR A 48 7.892 -2.765 6.843 1.00 0.00 O ATOM 0 H TYR A 48 6.281 -3.367 13.553 1.00 0.00 H new ATOM 0 HA TYR A 48 4.577 -4.124 11.359 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.213 -4.833 12.708 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.537 -5.975 11.563 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.984 -2.379 10.918 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.741 -5.600 10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.236 -1.682 8.544 1.00 0.00 H new ATOM 0 HE2 TYR A 48 9.329 -4.634 8.092 1.00 0.00 H new ATOM 0 HH TYR A 48 7.243 -2.058 6.644 1.00 0.00 H new ATOM 400 N THR A 49 4.102 -6.674 11.983 1.00 0.00 N ATOM 401 CA THR A 49 3.412 -7.891 12.391 1.00 0.00 C ATOM 402 C THR A 49 4.178 -9.129 11.919 1.00 0.00 C ATOM 403 O THR A 49 4.769 -9.125 10.836 1.00 0.00 O ATOM 404 CB THR A 49 1.960 -7.906 11.875 1.00 0.00 C ATOM 405 OG1 THR A 49 1.835 -8.335 10.534 1.00 0.00 O ATOM 406 CG2 THR A 49 1.297 -6.535 11.981 1.00 0.00 C ATOM 0 H THR A 49 4.388 -6.683 11.004 1.00 0.00 H new ATOM 0 HA THR A 49 3.375 -7.910 13.480 1.00 0.00 H new ATOM 0 HB THR A 49 1.460 -8.626 12.523 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.886 -8.433 10.309 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.275 -6.595 11.606 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.283 -6.217 13.024 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.859 -5.812 11.389 1.00 0.00 H new ATOM 407 N ASP A 50 4.130 -10.203 12.720 1.00 0.00 N ATOM 408 CA ASP A 50 4.567 -11.532 12.305 1.00 0.00 C ATOM 409 C ASP A 50 3.905 -11.895 10.984 1.00 0.00 C ATOM 410 O ASP A 50 4.561 -12.297 10.032 1.00 0.00 O ATOM 411 CB ASP A 50 4.168 -12.569 13.355 1.00 0.00 C ATOM 412 CG ASP A 50 4.474 -13.980 12.861 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.663 -14.358 12.890 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.512 -14.649 12.425 1.00 0.00 O ATOM 0 H ASP A 50 3.784 -10.168 13.679 1.00 0.00 H new ATOM 0 HA ASP A 50 5.651 -11.525 12.193 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.705 -12.379 14.284 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.105 -12.479 13.577 1.00 0.00 H new ATOM 415 N ALA A 51 2.585 -11.733 10.948 1.00 0.00 N ATOM 416 CA ALA A 51 1.774 -12.063 9.790 1.00 0.00 C ATOM 417 C ALA A 51 2.339 -11.449 8.507 1.00 0.00 C ATOM 418 O ALA A 51 2.529 -12.182 7.539 1.00 0.00 O ATOM 419 CB ALA A 51 0.325 -11.651 10.026 1.00 0.00 C ATOM 0 H ALA A 51 2.047 -11.365 11.733 1.00 0.00 H new ATOM 0 HA ALA A 51 1.801 -13.144 9.653 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.272 -11.904 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.066 -12.178 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.276 -10.576 10.200 1.00 0.00 H new ATOM 420 N ASN A 52 2.624 -10.138 8.469 1.00 0.00 N ATOM 421 CA ASN A 52 3.204 -9.537 7.265 1.00 0.00 C ATOM 422 C ASN A 52 4.496 -10.267 6.873 1.00 0.00 C ATOM 423 O ASN A 52 4.639 -10.686 5.727 1.00 0.00 O ATOM 424 CB ASN A 52 3.389 -8.020 7.437 1.00 0.00 C ATOM 425 CG ASN A 52 3.859 -7.309 6.156 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.614 -7.863 5.358 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.420 -6.072 5.932 1.00 0.00 N ATOM 0 H ASN A 52 2.466 -9.489 9.240 1.00 0.00 H new ATOM 0 HA ASN A 52 2.510 -9.660 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.445 -7.581 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.114 -7.838 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.709 -5.573 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.794 -5.624 6.601 1.00 0.00 H new ATOM 428 N ILE A 53 5.404 -10.482 7.833 1.00 0.00 N ATOM 429 CA ILE A 53 6.649 -11.209 7.596 1.00 0.00 C ATOM 430 C ILE A 53 6.358 -12.596 7.003 1.00 0.00 C ATOM 431 O ILE A 53 6.819 -12.921 5.909 1.00 0.00 O ATOM 432 CB ILE A 53 7.492 -11.279 8.887 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.884 -9.861 9.344 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.748 -12.136 8.666 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.550 -9.849 10.722 1.00 0.00 C ATOM 0 H ILE A 53 5.293 -10.156 8.793 1.00 0.00 H new ATOM 0 HA ILE A 53 7.244 -10.668 6.860 1.00 0.00 H new ATOM 0 HB ILE A 53 6.891 -11.745 9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.563 -9.422 8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.994 -9.233 9.369 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.330 -12.174 9.587 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.454 -13.146 8.381 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.353 -11.697 7.873 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.805 -8.825 10.994 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.863 -10.260 11.462 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.457 -10.453 10.693 1.00 0.00 H new ATOM 436 N LYS A 54 5.593 -13.430 7.711 1.00 0.00 N ATOM 437 CA LYS A 54 5.264 -14.778 7.264 1.00 0.00 C ATOM 438 C LYS A 54 4.543 -14.773 5.916 1.00 0.00 C ATOM 439 O LYS A 54 4.647 -15.735 5.161 1.00 0.00 O ATOM 440 CB LYS A 54 4.415 -15.506 8.312 1.00 0.00 C ATOM 441 CG LYS A 54 5.220 -15.796 9.587 1.00 0.00 C ATOM 442 CD LYS A 54 4.552 -16.858 10.471 1.00 0.00 C ATOM 443 CE LYS A 54 4.560 -18.250 9.813 1.00 0.00 C ATOM 444 NZ LYS A 54 4.171 -19.312 10.761 1.00 0.00 N ATOM 0 H LYS A 54 5.185 -13.185 8.613 1.00 0.00 H new ATOM 0 HA LYS A 54 6.206 -15.311 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.544 -14.900 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.044 -16.442 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.220 -16.132 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.338 -14.874 10.157 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.069 -16.908 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.524 -16.562 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.876 -18.254 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.555 -18.460 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.189 -20.233 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.838 -19.326 11.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.211 -19.126 11.116 1.00 0.00 H new ATOM 445 N LYS A 55 3.807 -13.702 5.616 1.00 0.00 N ATOM 446 CA LYS A 55 3.093 -13.529 4.366 1.00 0.00 C ATOM 447 C LYS A 55 3.939 -12.737 3.365 1.00 0.00 C ATOM 448 O LYS A 55 3.367 -12.096 2.488 1.00 0.00 O ATOM 449 CB LYS A 55 1.757 -12.844 4.682 1.00 0.00 C ATOM 450 CG LYS A 55 0.702 -12.837 3.569 1.00 0.00 C ATOM 451 CD LYS A 55 0.351 -14.230 3.020 1.00 0.00 C ATOM 452 CE LYS A 55 1.024 -14.534 1.674 1.00 0.00 C ATOM 453 NZ LYS A 55 0.518 -13.657 0.599 1.00 0.00 N ATOM 0 H LYS A 55 3.693 -12.916 6.256 1.00 0.00 H new ATOM 0 HA LYS A 55 2.895 -14.491 3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.325 -13.330 5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.963 -11.811 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.207 -12.370 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.061 -12.216 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.648 -14.986 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.730 -14.307 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.102 -14.407 1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.848 -15.576 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.267 -13.506 -0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.303 -14.105 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.233 -12.742 1.003 1.00 0.00 H new ATOM 454 N ASN A 56 5.272 -12.805 3.483 1.00 0.00 N ATOM 455 CA ASN A 56 6.253 -12.200 2.585 1.00 0.00 C ATOM 456 C ASN A 56 5.743 -12.053 1.141 1.00 0.00 C ATOM 457 O ASN A 56 5.608 -13.034 0.413 1.00 0.00 O ATOM 458 CB ASN A 56 7.590 -12.958 2.650 1.00 0.00 C ATOM 459 CG ASN A 56 7.561 -14.343 2.004 1.00 0.00 C ATOM 460 OD1 ASN A 56 6.963 -15.273 2.536 1.00 0.00 O ATOM 461 ND2 ASN A 56 8.236 -14.514 0.871 1.00 0.00 N ATOM 0 H ASN A 56 5.714 -13.312 4.250 1.00 0.00 H new ATOM 0 HA ASN A 56 6.421 -11.183 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.358 -12.358 2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.884 -13.063 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.264 -15.432 0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.726 -13.727 0.446 1.00 0.00 H new ATOM 462 N VAL A 57 5.422 -10.822 0.742 1.00 0.00 N ATOM 463 CA VAL A 57 4.845 -10.489 -0.557 1.00 0.00 C ATOM 464 C VAL A 57 5.763 -9.498 -1.271 1.00 0.00 C ATOM 465 O VAL A 57 6.277 -8.580 -0.649 1.00 0.00 O ATOM 466 CB VAL A 57 3.420 -9.950 -0.328 1.00 0.00 C ATOM 467 CG1 VAL A 57 2.968 -8.922 -1.367 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.425 -11.115 -0.324 1.00 0.00 C ATOM 0 H VAL A 57 5.562 -10.004 1.335 1.00 0.00 H new ATOM 0 HA VAL A 57 4.764 -11.362 -1.204 1.00 0.00 H new ATOM 0 HB VAL A 57 3.443 -9.439 0.634 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.955 -8.592 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.642 -8.066 -1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.984 -9.375 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.417 -10.732 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.467 -11.632 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.682 -11.810 0.475 1.00 0.00 H new ATOM 469 N LEU A 58 5.987 -9.687 -2.573 1.00 0.00 N ATOM 470 CA LEU A 58 6.960 -8.932 -3.370 1.00 0.00 C ATOM 471 C LEU A 58 6.509 -7.481 -3.623 1.00 0.00 C ATOM 472 O LEU A 58 7.321 -6.627 -3.964 1.00 0.00 O ATOM 473 CB LEU A 58 7.178 -9.714 -4.671 1.00 0.00 C ATOM 474 CG LEU A 58 8.560 -9.619 -5.343 1.00 0.00 C ATOM 475 CD1 LEU A 58 8.584 -10.604 -6.520 1.00 0.00 C ATOM 476 CD2 LEU A 58 8.909 -8.223 -5.866 1.00 0.00 C ATOM 0 H LEU A 58 5.484 -10.388 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 58 7.901 -8.836 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.976 -10.766 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.432 -9.380 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 58 9.302 -9.855 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.554 -10.556 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.414 -11.616 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.801 -10.340 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.898 -8.243 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.171 -7.918 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.907 -7.513 -5.039 1.00 0.00 H new ATOM 477 N TRP A 59 5.209 -7.210 -3.482 1.00 0.00 N ATOM 478 CA TRP A 59 4.593 -5.932 -3.812 1.00 0.00 C ATOM 479 C TRP A 59 4.839 -5.549 -5.272 1.00 0.00 C ATOM 480 O TRP A 59 5.277 -4.447 -5.591 1.00 0.00 O ATOM 481 CB TRP A 59 4.959 -4.832 -2.806 1.00 0.00 C ATOM 482 CG TRP A 59 4.457 -5.022 -1.403 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.198 -4.879 -0.280 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.118 -5.397 -0.946 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.404 -5.098 0.827 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.149 -5.522 0.472 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.881 -5.668 -1.575 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.051 -5.959 1.221 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.779 -6.131 -0.835 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.870 -6.303 0.555 1.00 0.00 C ATOM 0 H TRP A 59 4.542 -7.895 -3.125 1.00 0.00 H new ATOM 0 HA TRP A 59 3.514 -6.050 -3.717 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.045 -4.746 -2.772 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.576 -3.883 -3.181 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.249 -4.632 -0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.712 -4.962 1.790 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.781 -5.517 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.114 -6.030 2.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.148 -6.357 -1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.031 -6.699 1.108 1.00 0.00 H new ATOM 491 N ASP A 60 4.479 -6.471 -6.161 1.00 0.00 N ATOM 492 CA ASP A 60 4.147 -6.190 -7.546 1.00 0.00 C ATOM 493 C ASP A 60 2.713 -5.646 -7.627 1.00 0.00 C ATOM 494 O ASP A 60 1.960 -5.655 -6.646 1.00 0.00 O ATOM 495 CB ASP A 60 4.229 -7.504 -8.318 1.00 0.00 C ATOM 496 CG ASP A 60 3.214 -8.460 -7.722 1.00 0.00 C ATOM 497 OD1 ASP A 60 3.552 -9.028 -6.661 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.078 -8.482 -8.242 1.00 0.00 O ATOM 0 H ASP A 60 4.410 -7.461 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 60 4.833 -5.452 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.022 -7.339 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.233 -7.923 -8.251 1.00 0.00 H new ATOM 499 N GLU A 61 2.327 -5.195 -8.822 1.00 0.00 N ATOM 500 CA GLU A 61 1.015 -4.639 -9.093 1.00 0.00 C ATOM 501 C GLU A 61 -0.120 -5.628 -8.821 1.00 0.00 C ATOM 502 O GLU A 61 -1.158 -5.217 -8.307 1.00 0.00 O ATOM 503 CB GLU A 61 0.958 -4.129 -10.536 1.00 0.00 C ATOM 504 CG GLU A 61 2.052 -3.102 -10.843 1.00 0.00 C ATOM 505 CD GLU A 61 3.257 -3.700 -11.557 1.00 0.00 C ATOM 506 OE1 GLU A 61 3.794 -4.706 -11.049 1.00 0.00 O ATOM 507 OE2 GLU A 61 3.618 -3.141 -12.617 1.00 0.00 O ATOM 0 H GLU A 61 2.936 -5.210 -9.640 1.00 0.00 H new ATOM 0 HA GLU A 61 0.865 -3.808 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.055 -4.973 -11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.018 -3.680 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.632 -2.307 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.382 -2.643 -9.911 1.00 0.00 H new ATOM 508 N ASN A 62 0.034 -6.907 -9.178 1.00 0.00 N ATOM 509 CA ASN A 62 -1.041 -7.878 -9.004 1.00 0.00 C ATOM 510 C ASN A 62 -1.294 -8.069 -7.515 1.00 0.00 C ATOM 511 O ASN A 62 -2.419 -7.927 -7.036 1.00 0.00 O ATOM 512 CB ASN A 62 -0.694 -9.212 -9.672 1.00 0.00 C ATOM 513 CG ASN A 62 -1.655 -10.310 -9.257 1.00 0.00 C ATOM 514 OD1 ASN A 62 -2.718 -10.466 -9.846 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.295 -11.092 -8.249 1.00 0.00 N ATOM 0 H ASN A 62 0.888 -7.288 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.945 -7.503 -9.483 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.720 -9.095 -10.755 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.324 -9.499 -9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.909 -11.847 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.404 -10.938 -7.777 1.00 0.00 H new ATOM 516 N ASN A 63 -0.230 -8.380 -6.783 1.00 0.00 N ATOM 517 CA ASN A 63 -0.337 -8.686 -5.369 1.00 0.00 C ATOM 518 C ASN A 63 -0.866 -7.475 -4.613 1.00 0.00 C ATOM 519 O ASN A 63 -1.747 -7.627 -3.766 1.00 0.00 O ATOM 520 CB ASN A 63 1.003 -9.167 -4.818 1.00 0.00 C ATOM 521 CG ASN A 63 1.367 -10.560 -5.341 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.769 -11.075 -6.286 1.00 0.00 O ATOM 523 ND2 ASN A 63 2.306 -11.226 -4.673 1.00 0.00 N ATOM 0 H ASN A 63 0.720 -8.426 -7.152 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.048 -9.500 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.785 -8.459 -5.095 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.962 -9.187 -3.729 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.542 -12.181 -4.941 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.790 -10.781 -3.893 1.00 0.00 H new ATOM 524 N MET A 64 -0.364 -6.274 -4.922 1.00 0.00 N ATOM 525 CA MET A 64 -0.892 -5.073 -4.293 1.00 0.00 C ATOM 526 C MET A 64 -2.365 -4.862 -4.675 1.00 0.00 C ATOM 527 O MET A 64 -3.194 -4.620 -3.800 1.00 0.00 O ATOM 528 CB MET A 64 -0.004 -3.854 -4.578 1.00 0.00 C ATOM 529 CG MET A 64 -0.284 -2.763 -3.532 1.00 0.00 C ATOM 530 SD MET A 64 0.746 -1.274 -3.584 1.00 0.00 S ATOM 531 CE MET A 64 2.394 -1.940 -3.243 1.00 0.00 C ATOM 0 H MET A 64 0.391 -6.116 -5.590 1.00 0.00 H new ATOM 0 HA MET A 64 -0.870 -5.205 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.047 -4.141 -4.548 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.202 -3.472 -5.580 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.325 -2.456 -3.636 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.180 -3.210 -2.543 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.104 -1.119 -3.140 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.369 -2.516 -2.318 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.703 -2.586 -4.065 1.00 0.00 H new ATOM 532 N SER A 65 -2.699 -4.975 -5.967 1.00 0.00 N ATOM 533 CA SER A 65 -4.072 -4.861 -6.453 1.00 0.00 C ATOM 534 C SER A 65 -5.018 -5.751 -5.643 1.00 0.00 C ATOM 535 O SER A 65 -6.070 -5.274 -5.199 1.00 0.00 O ATOM 536 CB SER A 65 -4.142 -5.203 -7.949 1.00 0.00 C ATOM 537 OG SER A 65 -5.471 -5.110 -8.422 1.00 0.00 O ATOM 0 H SER A 65 -2.017 -5.149 -6.705 1.00 0.00 H new ATOM 0 HA SER A 65 -4.395 -3.828 -6.322 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.502 -4.524 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.762 -6.211 -8.115 1.00 0.00 H new ATOM 0 HG SER A 65 -5.495 -5.330 -9.377 1.00 0.00 H new ATOM 538 N GLU A 66 -4.637 -7.021 -5.458 1.00 0.00 N ATOM 539 CA GLU A 66 -5.407 -7.976 -4.680 1.00 0.00 C ATOM 540 C GLU A 66 -5.476 -7.519 -3.228 1.00 0.00 C ATOM 541 O GLU A 66 -6.565 -7.230 -2.736 1.00 0.00 O ATOM 542 CB GLU A 66 -4.808 -9.384 -4.805 1.00 0.00 C ATOM 543 CG GLU A 66 -5.615 -10.442 -4.028 1.00 0.00 C ATOM 544 CD GLU A 66 -7.097 -10.489 -4.389 1.00 0.00 C ATOM 545 OE1 GLU A 66 -7.396 -10.348 -5.592 1.00 0.00 O ATOM 546 OE2 GLU A 66 -7.907 -10.662 -3.450 1.00 0.00 O ATOM 0 H GLU A 66 -3.779 -7.409 -5.850 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.424 -8.023 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.766 -9.665 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.782 -9.372 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.177 -11.423 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.519 -10.244 -2.960 1.00 0.00 H new ATOM 547 N TYR A 67 -4.318 -7.419 -2.565 1.00 0.00 N ATOM 548 CA TYR A 67 -4.200 -6.994 -1.169 1.00 0.00 C ATOM 549 C TYR A 67 -5.156 -5.846 -0.855 1.00 0.00 C ATOM 550 O TYR A 67 -5.961 -5.935 0.068 1.00 0.00 O ATOM 551 CB TYR A 67 -2.757 -6.575 -0.866 1.00 0.00 C ATOM 552 CG TYR A 67 -2.561 -5.884 0.476 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.486 -6.643 1.655 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.490 -4.479 0.554 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.356 -6.015 2.903 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.413 -3.849 1.809 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.353 -4.616 2.986 1.00 0.00 C ATOM 558 OH TYR A 67 -2.543 -4.036 4.205 1.00 0.00 O ATOM 0 H TYR A 67 -3.419 -7.636 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.470 -7.839 -0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.122 -7.460 -0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.414 -5.907 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.529 -7.721 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.495 -3.887 -0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.258 -6.610 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.400 -2.771 1.869 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.203 -3.316 4.125 1.00 0.00 H new ATOM 559 N LEU A 68 -5.083 -4.774 -1.642 1.00 0.00 N ATOM 560 CA LEU A 68 -5.907 -3.590 -1.463 1.00 0.00 C ATOM 561 C LEU A 68 -7.401 -3.890 -1.391 1.00 0.00 C ATOM 562 O LEU A 68 -8.140 -3.213 -0.680 1.00 0.00 O ATOM 563 CB LEU A 68 -5.635 -2.626 -2.606 1.00 0.00 C ATOM 564 CG LEU A 68 -4.290 -1.897 -2.470 1.00 0.00 C ATOM 565 CD1 LEU A 68 -4.075 -1.019 -3.704 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.195 -1.025 -1.216 1.00 0.00 C ATOM 0 H LEU A 68 -4.440 -4.707 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.636 -3.153 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.651 -3.174 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.438 -1.890 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.519 -2.663 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.122 -0.497 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.067 -1.643 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.883 -0.291 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.220 -0.540 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.977 -0.266 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.321 -1.647 -0.330 1.00 0.00 H new ATOM 567 N THR A 69 -7.855 -4.879 -2.154 1.00 0.00 N ATOM 568 CA THR A 69 -9.222 -5.377 -2.113 1.00 0.00 C ATOM 569 C THR A 69 -9.602 -5.880 -0.720 1.00 0.00 C ATOM 570 O THR A 69 -10.754 -5.737 -0.317 1.00 0.00 O ATOM 571 CB THR A 69 -9.411 -6.507 -3.141 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.575 -6.296 -4.257 1.00 0.00 O ATOM 573 CG2 THR A 69 -10.862 -6.579 -3.624 1.00 0.00 C ATOM 0 H THR A 69 -7.269 -5.366 -2.832 1.00 0.00 H new ATOM 0 HA THR A 69 -9.879 -4.543 -2.362 1.00 0.00 H new ATOM 0 HB THR A 69 -9.151 -7.444 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.689 -6.676 -4.079 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.964 -7.386 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.519 -6.768 -2.775 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.137 -5.634 -4.092 1.00 0.00 H new ATOM 574 N ASN A 70 -8.668 -6.523 -0.011 1.00 0.00 N ATOM 575 CA ASN A 70 -8.978 -7.309 1.177 1.00 0.00 C ATOM 576 C ASN A 70 -7.746 -7.513 2.073 1.00 0.00 C ATOM 577 O ASN A 70 -7.321 -8.641 2.333 1.00 0.00 O ATOM 578 CB ASN A 70 -9.606 -8.645 0.732 1.00 0.00 C ATOM 579 CG ASN A 70 -8.769 -9.374 -0.330 1.00 0.00 C ATOM 580 OD1 ASN A 70 -7.549 -9.439 -0.248 1.00 0.00 O ATOM 581 ND2 ASN A 70 -9.418 -9.901 -1.361 1.00 0.00 N ATOM 0 H ASN A 70 -7.676 -6.510 -0.249 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.695 -6.765 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.725 -9.292 1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.604 -8.457 0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.900 -10.371 -2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.435 -9.836 -1.411 1.00 0.00 H new ATOM 582 N PRO A 71 -7.197 -6.427 2.630 1.00 0.00 N ATOM 583 CA PRO A 71 -5.869 -6.435 3.224 1.00 0.00 C ATOM 584 C PRO A 71 -5.800 -7.416 4.390 1.00 0.00 C ATOM 585 O PRO A 71 -4.913 -8.261 4.470 1.00 0.00 O ATOM 586 CB PRO A 71 -5.594 -4.986 3.633 1.00 0.00 C ATOM 587 CG PRO A 71 -6.944 -4.267 3.607 1.00 0.00 C ATOM 588 CD PRO A 71 -7.839 -5.127 2.715 1.00 0.00 C ATOM 0 HA PRO A 71 -5.103 -6.779 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.149 -4.941 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.890 -4.516 2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.360 -4.174 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.845 -3.257 3.209 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.840 -5.214 3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.947 -4.681 1.726 1.00 0.00 H new HETATM 589 N M3L A 72 -6.804 -7.329 5.259 1.00 0.00 N HETATM 590 CA M3L A 72 -6.974 -8.161 6.444 1.00 0.00 C HETATM 591 CB M3L A 72 -8.139 -7.611 7.278 1.00 0.00 C HETATM 592 CG M3L A 72 -7.997 -6.104 7.586 1.00 0.00 C HETATM 593 CD M3L A 72 -9.282 -5.340 7.325 1.00 0.00 C HETATM 594 CE M3L A 72 -10.052 -5.318 8.650 1.00 0.00 C HETATM 595 NZ M3L A 72 -11.462 -4.893 8.510 1.00 0.00 N HETATM 596 C M3L A 72 -7.181 -9.646 6.115 1.00 0.00 C HETATM 597 O M3L A 72 -7.079 -10.485 7.008 1.00 0.00 O HETATM 598 CM1 M3L A 72 -12.259 -6.033 8.005 1.00 0.00 C HETATM 599 CM2 M3L A 72 -11.948 -4.504 9.853 1.00 0.00 C HETATM 600 CM3 M3L A 72 -11.570 -3.739 7.586 1.00 0.00 C HETATM 0 HM33 M3L A 72 -10.987 -2.905 7.976 1.00 0.00 H new HETATM 0 HM32 M3L A 72 -11.188 -4.021 6.605 1.00 0.00 H new HETATM 0 HM31 M3L A 72 -12.615 -3.441 7.496 1.00 0.00 H new HETATM 0 HM23 M3L A 72 -11.874 -5.357 10.528 1.00 0.00 H new HETATM 0 HM22 M3L A 72 -11.341 -3.684 10.236 1.00 0.00 H new HETATM 0 HM21 M3L A 72 -12.988 -4.184 9.785 1.00 0.00 H new HETATM 0 HM13 M3L A 72 -11.871 -6.347 7.036 1.00 0.00 H new HETATM 0 HM12 M3L A 72 -12.193 -6.863 8.708 1.00 0.00 H new HETATM 0 HM11 M3L A 72 -13.301 -5.730 7.898 1.00 0.00 H new HETATM 0 HG3 M3L A 72 -7.705 -5.974 8.628 1.00 0.00 H new HETATM 0 HG2 M3L A 72 -7.197 -5.684 6.976 1.00 0.00 H new HETATM 0 HE3 M3L A 72 -10.024 -6.313 9.093 1.00 0.00 H new HETATM 0 HE2 M3L A 72 -9.546 -4.646 9.343 1.00 0.00 H new HETATM 0 HD3 M3L A 72 -9.069 -4.327 6.984 1.00 0.00 H new HETATM 0 HD2 M3L A 72 -9.869 -5.823 6.543 1.00 0.00 H new HETATM 0 HB3 M3L A 72 -9.074 -7.781 6.744 1.00 0.00 H new HETATM 0 HB2 M3L A 72 -8.202 -8.164 8.215 1.00 0.00 H new HETATM 0 HA M3L A 72 -6.049 -8.115 7.019 1.00 0.00 H new HETATM 0 H M3L A 72 -7.418 -6.529 5.105 1.00 0.00 H new ATOM 601 N LYS A 73 -7.497 -9.980 4.859 1.00 0.00 N ATOM 602 CA LYS A 73 -7.616 -11.355 4.402 1.00 0.00 C ATOM 603 C LYS A 73 -6.255 -11.778 3.863 1.00 0.00 C ATOM 604 O LYS A 73 -5.723 -12.823 4.230 1.00 0.00 O ATOM 605 CB LYS A 73 -8.678 -11.435 3.295 1.00 0.00 C ATOM 606 CG LYS A 73 -9.112 -12.870 2.999 1.00 0.00 C ATOM 607 CD LYS A 73 -9.817 -12.882 1.637 1.00 0.00 C ATOM 608 CE LYS A 73 -10.607 -14.176 1.430 1.00 0.00 C ATOM 609 NZ LYS A 73 -11.931 -14.141 2.088 1.00 0.00 N ATOM 0 H LYS A 73 -7.678 -9.291 4.129 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.920 -12.014 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.549 -10.849 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.283 -10.984 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.248 -13.534 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.782 -13.234 3.778 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.490 -12.028 1.566 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.079 -12.773 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.740 -14.350 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.032 -15.016 1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.427 -15.039 1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.807 -14.002 3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.492 -13.357 1.698 1.00 0.00 H new ATOM 610 N TYR A 74 -5.714 -10.959 2.957 1.00 0.00 N ATOM 611 CA TYR A 74 -4.492 -11.261 2.235 1.00 0.00 C ATOM 612 C TYR A 74 -3.305 -11.372 3.193 1.00 0.00 C ATOM 613 O TYR A 74 -2.421 -12.202 2.975 1.00 0.00 O ATOM 614 CB TYR A 74 -4.276 -10.186 1.169 1.00 0.00 C ATOM 615 CG TYR A 74 -3.292 -10.564 0.080 1.00 0.00 C ATOM 616 CD1 TYR A 74 -3.747 -11.290 -1.036 1.00 0.00 C ATOM 617 CD2 TYR A 74 -1.950 -10.144 0.137 1.00 0.00 C ATOM 618 CE1 TYR A 74 -2.871 -11.575 -2.097 1.00 0.00 C ATOM 619 CE2 TYR A 74 -1.098 -10.365 -0.959 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.558 -11.083 -2.075 1.00 0.00 C ATOM 621 OH TYR A 74 -0.693 -11.434 -3.068 1.00 0.00 O ATOM 0 H TYR A 74 -6.123 -10.059 2.707 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.579 -12.229 1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.236 -9.953 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.926 -9.276 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.772 -11.629 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.575 -9.652 1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.209 -12.173 -2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -0.088 -9.982 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.192 -11.591 -3.896 1.00 0.00 H new ATOM 622 N ILE A 75 -3.296 -10.551 4.252 1.00 0.00 N ATOM 623 CA ILE A 75 -2.368 -10.666 5.373 1.00 0.00 C ATOM 624 C ILE A 75 -3.198 -10.924 6.635 1.00 0.00 C ATOM 625 O ILE A 75 -3.825 -9.995 7.140 1.00 0.00 O ATOM 626 CB ILE A 75 -1.458 -9.423 5.480 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.724 -9.233 4.138 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.456 -9.590 6.640 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.399 -8.195 4.162 1.00 0.00 C ATOM 0 H ILE A 75 -3.949 -9.774 4.350 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.682 -11.500 5.227 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.059 -8.538 5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.307 -10.192 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.452 -8.943 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.179 -8.706 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.000 -9.713 7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.163 -10.469 6.462 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.856 -8.131 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.010 -7.223 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.152 -8.491 4.892 1.00 0.00 H new ATOM 630 N PRO A 76 -3.236 -12.159 7.162 1.00 0.00 N ATOM 631 CA PRO A 76 -4.071 -12.502 8.305 1.00 0.00 C ATOM 632 C PRO A 76 -3.419 -12.013 9.604 1.00 0.00 C ATOM 633 O PRO A 76 -3.010 -12.808 10.446 1.00 0.00 O ATOM 634 CB PRO A 76 -4.215 -14.026 8.237 1.00 0.00 C ATOM 635 CG PRO A 76 -2.880 -14.468 7.641 1.00 0.00 C ATOM 636 CD PRO A 76 -2.563 -13.345 6.650 1.00 0.00 C ATOM 0 HA PRO A 76 -5.051 -12.025 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.381 -14.461 9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.056 -14.325 7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.108 -14.564 8.405 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.959 -15.435 7.145 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.488 -13.182 6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.918 -13.595 5.650 1.00 0.00 H new ATOM 637 N GLY A 77 -3.319 -10.691 9.765 1.00 0.00 N ATOM 638 CA GLY A 77 -2.712 -10.061 10.927 1.00 0.00 C ATOM 639 C GLY A 77 -2.171 -8.692 10.537 1.00 0.00 C ATOM 640 O GLY A 77 -0.966 -8.509 10.372 1.00 0.00 O ATOM 0 H GLY A 77 -3.665 -10.022 9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.448 -9.959 11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.907 -10.686 11.314 1.00 0.00 H new ATOM 641 N THR A 78 -3.079 -7.729 10.382 1.00 0.00 N ATOM 642 CA THR A 78 -2.757 -6.359 10.031 1.00 0.00 C ATOM 643 C THR A 78 -3.674 -5.435 10.822 1.00 0.00 C ATOM 644 O THR A 78 -4.847 -5.744 11.035 1.00 0.00 O ATOM 645 CB THR A 78 -2.870 -6.140 8.512 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.948 -4.767 8.220 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.124 -6.744 7.892 1.00 0.00 C ATOM 0 H THR A 78 -4.079 -7.890 10.501 1.00 0.00 H new ATOM 0 HA THR A 78 -1.723 -6.134 10.291 1.00 0.00 H new ATOM 0 HB THR A 78 -1.983 -6.623 8.102 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.700 -4.617 7.284 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.131 -6.547 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.133 -7.820 8.064 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.007 -6.297 8.348 1.00 0.00 H new ATOM 648 N LYS A 79 -3.128 -4.292 11.243 1.00 0.00 N ATOM 649 CA LYS A 79 -3.875 -3.202 11.846 1.00 0.00 C ATOM 650 C LYS A 79 -4.615 -2.385 10.772 1.00 0.00 C ATOM 651 O LYS A 79 -5.351 -1.457 11.105 1.00 0.00 O ATOM 652 CB LYS A 79 -2.887 -2.364 12.677 1.00 0.00 C ATOM 653 CG LYS A 79 -3.480 -1.044 13.183 1.00 0.00 C ATOM 654 CD LYS A 79 -2.607 -0.428 14.282 1.00 0.00 C ATOM 655 CE LYS A 79 -3.088 1.001 14.573 1.00 0.00 C ATOM 656 NZ LYS A 79 -2.369 1.614 15.709 1.00 0.00 N ATOM 0 H LYS A 79 -2.129 -4.101 11.169 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.655 -3.577 12.508 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.551 -2.953 13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.006 -2.149 12.072 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.573 -0.343 12.354 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.485 -1.218 13.568 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.661 -1.033 15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.563 -0.416 13.969 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.950 1.616 13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.157 0.986 14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.728 2.577 15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.521 1.043 16.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.352 1.654 15.495 1.00 0.00 H new ATOM 657 N ALA A 80 -4.415 -2.693 9.486 1.00 0.00 N ATOM 658 CA ALA A 80 -4.990 -1.958 8.371 1.00 0.00 C ATOM 659 C ALA A 80 -6.513 -2.102 8.326 1.00 0.00 C ATOM 660 O ALA A 80 -7.059 -2.827 7.495 1.00 0.00 O ATOM 661 CB ALA A 80 -4.343 -2.422 7.063 1.00 0.00 C ATOM 0 H ALA A 80 -3.835 -3.479 9.193 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.782 -0.897 8.508 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.775 -1.870 6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.269 -2.238 7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.524 -3.488 6.926 1.00 0.00 H new ATOM 662 N ALA A 81 -7.213 -1.369 9.195 1.00 0.00 N ATOM 663 CA ALA A 81 -8.663 -1.266 9.218 1.00 0.00 C ATOM 664 C ALA A 81 -9.148 -0.397 8.052 1.00 0.00 C ATOM 665 O ALA A 81 -9.838 0.599 8.255 1.00 0.00 O ATOM 666 CB ALA A 81 -9.106 -0.708 10.576 1.00 0.00 C ATOM 0 H ALA A 81 -6.765 -0.814 9.924 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.112 -2.251 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.193 -0.628 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.774 -1.377 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.667 0.278 10.725 1.00 0.00 H new ATOM 667 N PHE A 82 -8.772 -0.775 6.829 1.00 0.00 N ATOM 668 CA PHE A 82 -9.049 -0.029 5.615 1.00 0.00 C ATOM 669 C PHE A 82 -10.267 -0.624 4.902 1.00 0.00 C ATOM 670 O PHE A 82 -10.447 -1.844 4.854 1.00 0.00 O ATOM 671 CB PHE A 82 -7.799 -0.028 4.720 1.00 0.00 C ATOM 672 CG PHE A 82 -8.027 0.591 3.355 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.644 1.851 3.252 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.811 -0.176 2.194 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.166 2.280 2.022 1.00 0.00 C ATOM 676 CE2 PHE A 82 -8.333 0.253 0.964 1.00 0.00 C ATOM 677 CZ PHE A 82 -9.052 1.458 0.890 1.00 0.00 C ATOM 0 H PHE A 82 -8.251 -1.635 6.658 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.289 1.006 5.858 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.001 0.515 5.226 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.455 -1.054 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.716 2.489 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -7.244 -1.094 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.654 3.240 1.947 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.182 -0.342 0.076 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.518 1.752 -0.039 1.00 0.00 H new ATOM 678 N GLY A 83 -11.110 0.247 4.343 1.00 0.00 N ATOM 679 CA GLY A 83 -12.254 -0.133 3.535 1.00 0.00 C ATOM 680 C GLY A 83 -11.791 -0.643 2.173 1.00 0.00 C ATOM 681 O GLY A 83 -11.856 0.097 1.194 1.00 0.00 O ATOM 0 H GLY A 83 -11.008 1.257 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.828 -0.907 4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.917 0.722 3.405 1.00 0.00 H new ATOM 682 N GLY A 84 -11.337 -1.903 2.148 1.00 0.00 N ATOM 683 CA GLY A 84 -10.936 -2.691 0.984 1.00 0.00 C ATOM 684 C GLY A 84 -11.396 -2.111 -0.364 1.00 0.00 C ATOM 685 O GLY A 84 -12.596 -1.977 -0.609 1.00 0.00 O ATOM 0 H GLY A 84 -11.234 -2.436 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.850 -2.779 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.336 -3.699 1.088 1.00 0.00 H new ATOM 686 N LEU A 85 -10.447 -1.750 -1.236 1.00 0.00 N ATOM 687 CA LEU A 85 -10.697 -0.946 -2.430 1.00 0.00 C ATOM 688 C LEU A 85 -11.582 -1.698 -3.438 1.00 0.00 C ATOM 689 O LEU A 85 -11.085 -2.412 -4.311 1.00 0.00 O ATOM 690 CB LEU A 85 -9.362 -0.487 -3.063 1.00 0.00 C ATOM 691 CG LEU A 85 -9.096 1.026 -3.052 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.786 1.315 -3.795 1.00 0.00 C ATOM 693 CD2 LEU A 85 -10.207 1.872 -3.686 1.00 0.00 C ATOM 0 H LEU A 85 -9.468 -2.015 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.248 -0.054 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.545 -0.983 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.335 -0.833 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.046 1.310 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.594 2.388 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.965 0.797 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.867 0.966 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.936 2.926 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.336 1.581 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.140 1.711 -3.146 1.00 0.00 H new ATOM 694 N LYS A 86 -12.900 -1.531 -3.339 1.00 0.00 N ATOM 695 CA LYS A 86 -13.861 -2.222 -4.192 1.00 0.00 C ATOM 696 C LYS A 86 -13.964 -1.630 -5.607 1.00 0.00 C ATOM 697 O LYS A 86 -14.238 -2.360 -6.551 1.00 0.00 O ATOM 698 CB LYS A 86 -15.211 -2.269 -3.490 1.00 0.00 C ATOM 699 CG LYS A 86 -15.124 -3.453 -2.518 1.00 0.00 C ATOM 700 CD LYS A 86 -16.251 -3.456 -1.501 1.00 0.00 C ATOM 701 CE LYS A 86 -17.635 -3.811 -2.066 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.704 -5.201 -2.566 1.00 0.00 N ATOM 0 H LYS A 86 -13.333 -0.907 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 86 -13.499 -3.238 -4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -15.410 -1.338 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.021 -2.407 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.147 -4.385 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.168 -3.420 -1.996 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.005 -4.165 -0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.306 -2.470 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -18.388 -3.670 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.880 -3.124 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.682 -5.423 -2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.080 -5.305 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.399 -5.855 -1.817 1.00 0.00 H new ATOM 703 N LYS A 87 -13.771 -0.312 -5.742 1.00 0.00 N ATOM 704 CA LYS A 87 -13.974 0.469 -6.963 1.00 0.00 C ATOM 705 C LYS A 87 -13.454 -0.188 -8.253 1.00 0.00 C ATOM 706 O LYS A 87 -14.100 -0.087 -9.291 1.00 0.00 O ATOM 707 CB LYS A 87 -13.334 1.846 -6.776 1.00 0.00 C ATOM 708 CG LYS A 87 -14.196 2.795 -5.932 1.00 0.00 C ATOM 709 CD LYS A 87 -13.402 4.073 -5.620 1.00 0.00 C ATOM 710 CE LYS A 87 -14.281 5.329 -5.523 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.720 5.803 -6.853 1.00 0.00 N ATOM 0 H LYS A 87 -13.453 0.265 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.052 0.542 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.361 1.727 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.158 2.295 -7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.111 3.045 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.494 2.305 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.867 3.939 -4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.651 4.223 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.155 5.113 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.726 6.122 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.268 6.680 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.887 5.986 -7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.314 5.077 -7.302 1.00 0.00 H new ATOM 712 N GLU A 88 -12.250 -0.768 -8.215 1.00 0.00 N ATOM 713 CA GLU A 88 -11.626 -1.574 -9.267 1.00 0.00 C ATOM 714 C GLU A 88 -10.974 -0.686 -10.328 1.00 0.00 C ATOM 715 O GLU A 88 -9.831 -0.903 -10.716 1.00 0.00 O ATOM 716 CB GLU A 88 -12.626 -2.569 -9.876 1.00 0.00 C ATOM 717 CG GLU A 88 -11.925 -3.647 -10.711 1.00 0.00 C ATOM 718 CD GLU A 88 -12.940 -4.473 -11.483 1.00 0.00 C ATOM 719 OE1 GLU A 88 -13.642 -3.849 -12.311 1.00 0.00 O ATOM 720 OE2 GLU A 88 -12.998 -5.695 -11.251 1.00 0.00 O ATOM 0 H GLU A 88 -11.648 -0.681 -7.396 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.831 -2.165 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.198 -3.043 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.338 -2.031 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.226 -3.179 -11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.341 -4.296 -10.059 1.00 0.00 H new ATOM 721 N LYS A 89 -11.708 0.324 -10.779 1.00 0.00 N ATOM 722 CA LYS A 89 -11.283 1.216 -11.856 1.00 0.00 C ATOM 723 C LYS A 89 -10.252 2.220 -11.346 1.00 0.00 C ATOM 724 O LYS A 89 -9.104 2.205 -11.779 1.00 0.00 O ATOM 725 CB LYS A 89 -12.499 1.874 -12.507 1.00 0.00 C ATOM 726 CG LYS A 89 -13.083 1.060 -13.674 1.00 0.00 C ATOM 727 CD LYS A 89 -13.321 -0.426 -13.361 1.00 0.00 C ATOM 728 CE LYS A 89 -14.007 -1.112 -14.554 1.00 0.00 C ATOM 729 NZ LYS A 89 -13.902 -2.584 -14.481 1.00 0.00 N ATOM 0 H LYS A 89 -12.628 0.551 -10.403 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.786 0.638 -12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.272 2.019 -11.752 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.217 2.863 -12.869 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.029 1.510 -13.977 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.407 1.135 -14.526 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.372 -0.917 -13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.940 -0.524 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.058 -0.824 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.556 -0.762 -15.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.747 -3.014 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.055 -2.898 -14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.831 -2.878 -13.486 1.00 0.00 H new ATOM 730 N ASP A 90 -10.652 3.070 -10.398 1.00 0.00 N ATOM 731 CA ASP A 90 -9.785 4.066 -9.773 1.00 0.00 C ATOM 732 C ASP A 90 -8.449 3.463 -9.327 1.00 0.00 C ATOM 733 O ASP A 90 -7.391 4.068 -9.477 1.00 0.00 O ATOM 734 CB ASP A 90 -10.523 4.648 -8.568 1.00 0.00 C ATOM 735 CG ASP A 90 -11.492 5.765 -8.945 1.00 0.00 C ATOM 736 OD1 ASP A 90 -11.108 6.639 -9.749 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.619 5.726 -8.401 1.00 0.00 O ATOM 0 H ASP A 90 -11.606 3.084 -10.038 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.556 4.843 -10.502 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -11.073 3.852 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.795 5.032 -7.854 1.00 0.00 H new ATOM 738 N ARG A 91 -8.517 2.249 -8.778 1.00 0.00 N ATOM 739 CA ARG A 91 -7.368 1.407 -8.454 1.00 0.00 C ATOM 740 C ARG A 91 -6.300 1.449 -9.546 1.00 0.00 C ATOM 741 O ARG A 91 -5.127 1.559 -9.233 1.00 0.00 O ATOM 742 CB ARG A 91 -7.837 -0.032 -8.249 1.00 0.00 C ATOM 743 CG ARG A 91 -6.848 -0.915 -7.481 1.00 0.00 C ATOM 744 CD ARG A 91 -7.036 -2.413 -7.802 1.00 0.00 C ATOM 745 NE ARG A 91 -7.413 -3.223 -6.627 1.00 0.00 N ATOM 746 CZ ARG A 91 -8.579 -3.095 -5.985 1.00 0.00 C ATOM 747 NH1 ARG A 91 -9.502 -2.247 -6.434 1.00 0.00 N ATOM 748 NH2 ARG A 91 -8.855 -3.785 -4.889 1.00 0.00 N ATOM 0 H ARG A 91 -9.407 1.811 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.918 1.793 -7.539 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.786 -0.019 -7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.027 -0.482 -9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.829 -0.617 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.976 -0.755 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.804 -2.519 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.110 -2.806 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.748 -3.918 -6.286 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.321 -1.692 -7.271 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.390 -2.152 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -8.168 -4.437 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.754 -3.664 -4.423 1.00 0.00 H new ATOM 749 N ASN A 92 -6.677 1.339 -10.820 1.00 0.00 N ATOM 750 CA ASN A 92 -5.713 1.352 -11.920 1.00 0.00 C ATOM 751 C ASN A 92 -4.869 2.631 -11.877 1.00 0.00 C ATOM 752 O ASN A 92 -3.637 2.585 -11.935 1.00 0.00 O ATOM 753 CB ASN A 92 -6.425 1.224 -13.278 1.00 0.00 C ATOM 754 CG ASN A 92 -7.296 -0.026 -13.412 1.00 0.00 C ATOM 755 OD1 ASN A 92 -8.422 0.043 -13.895 1.00 0.00 O ATOM 756 ND2 ASN A 92 -6.790 -1.190 -13.009 1.00 0.00 N ATOM 0 H ASN A 92 -7.648 1.239 -11.116 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.052 0.493 -11.801 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.047 2.105 -13.434 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.676 1.218 -14.070 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.340 -2.044 -13.099 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.852 -1.228 -12.610 1.00 0.00 H new ATOM 757 N ASP A 93 -5.542 3.776 -11.756 1.00 0.00 N ATOM 758 CA ASP A 93 -4.894 5.077 -11.677 1.00 0.00 C ATOM 759 C ASP A 93 -4.054 5.169 -10.405 1.00 0.00 C ATOM 760 O ASP A 93 -2.870 5.490 -10.444 1.00 0.00 O ATOM 761 CB ASP A 93 -5.939 6.189 -11.723 1.00 0.00 C ATOM 762 CG ASP A 93 -6.563 6.354 -13.098 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.797 6.511 -14.069 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.813 6.367 -13.157 1.00 0.00 O ATOM 0 H ASP A 93 -6.560 3.822 -11.710 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.231 5.197 -12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.723 5.975 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.476 7.129 -11.424 1.00 0.00 H new ATOM 765 N LEU A 94 -4.669 4.884 -9.261 1.00 0.00 N ATOM 766 CA LEU A 94 -3.997 4.857 -7.968 1.00 0.00 C ATOM 767 C LEU A 94 -2.702 4.031 -8.034 1.00 0.00 C ATOM 768 O LEU A 94 -1.621 4.551 -7.761 1.00 0.00 O ATOM 769 CB LEU A 94 -5.000 4.367 -6.915 1.00 0.00 C ATOM 770 CG LEU A 94 -4.441 4.069 -5.516 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.445 5.104 -4.996 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.580 4.062 -4.511 1.00 0.00 C ATOM 0 H LEU A 94 -5.663 4.662 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.672 5.856 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.783 5.119 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.474 3.461 -7.292 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.931 3.111 -5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.103 4.813 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.592 5.159 -5.672 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.929 6.079 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.187 3.851 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.069 5.036 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.303 3.294 -4.786 1.00 0.00 H new ATOM 773 N ILE A 95 -2.781 2.759 -8.430 1.00 0.00 N ATOM 774 CA ILE A 95 -1.614 1.909 -8.598 1.00 0.00 C ATOM 775 C ILE A 95 -0.619 2.567 -9.554 1.00 0.00 C ATOM 776 O ILE A 95 0.568 2.576 -9.248 1.00 0.00 O ATOM 777 CB ILE A 95 -2.019 0.501 -9.067 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.877 -0.205 -7.997 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.744 -0.317 -9.351 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.542 -1.456 -8.564 1.00 0.00 C ATOM 0 H ILE A 95 -3.663 2.293 -8.643 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.122 1.791 -7.633 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.615 0.583 -9.976 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.252 -0.476 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.640 0.480 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.020 -1.317 -9.684 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.161 0.176 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.148 -0.389 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.140 -1.933 -7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.185 -1.179 -9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.776 -2.150 -8.910 1.00 0.00 H new ATOM 781 N THR A 96 -1.067 3.122 -10.687 1.00 0.00 N ATOM 782 CA THR A 96 -0.164 3.853 -11.572 1.00 0.00 C ATOM 783 C THR A 96 0.618 4.917 -10.799 1.00 0.00 C ATOM 784 O THR A 96 1.849 4.932 -10.836 1.00 0.00 O ATOM 785 CB THR A 96 -0.912 4.481 -12.757 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.533 3.473 -13.526 1.00 0.00 O ATOM 787 CG2 THR A 96 0.066 5.286 -13.616 1.00 0.00 C ATOM 0 H THR A 96 -2.035 3.078 -11.006 1.00 0.00 H new ATOM 0 HA THR A 96 0.546 3.132 -11.977 1.00 0.00 H new ATOM 0 HB THR A 96 -1.684 5.152 -12.381 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.293 3.104 -13.029 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.468 5.730 -14.456 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.515 6.075 -13.013 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.848 4.627 -13.991 1.00 0.00 H new ATOM 788 N TYR A 97 -0.087 5.813 -10.108 1.00 0.00 N ATOM 789 CA TYR A 97 0.539 6.861 -9.320 1.00 0.00 C ATOM 790 C TYR A 97 1.547 6.257 -8.345 1.00 0.00 C ATOM 791 O TYR A 97 2.686 6.711 -8.280 1.00 0.00 O ATOM 792 CB TYR A 97 -0.532 7.678 -8.593 1.00 0.00 C ATOM 793 CG TYR A 97 0.013 8.579 -7.504 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.673 9.775 -7.841 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.054 8.172 -6.158 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.187 10.603 -6.827 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.495 8.983 -5.151 1.00 0.00 C ATOM 798 CZ TYR A 97 1.091 10.210 -5.483 1.00 0.00 C ATOM 799 OH TYR A 97 1.528 11.045 -4.499 1.00 0.00 O ATOM 0 H TYR A 97 -1.107 5.828 -10.082 1.00 0.00 H new ATOM 0 HA TYR A 97 1.083 7.536 -9.981 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.066 8.288 -9.322 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.260 6.995 -8.155 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.785 10.057 -8.878 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.527 7.236 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.656 11.542 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.459 8.662 -4.120 1.00 0.00 H new ATOM 0 HH TYR A 97 1.389 10.623 -3.626 1.00 0.00 H new ATOM 800 N LEU A 98 1.133 5.236 -7.595 1.00 0.00 N ATOM 801 CA LEU A 98 1.980 4.608 -6.593 1.00 0.00 C ATOM 802 C LEU A 98 3.251 4.047 -7.231 1.00 0.00 C ATOM 803 O LEU A 98 4.356 4.360 -6.799 1.00 0.00 O ATOM 804 CB LEU A 98 1.190 3.528 -5.833 1.00 0.00 C ATOM 805 CG LEU A 98 1.140 3.793 -4.315 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.308 4.004 -3.893 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.694 2.637 -3.493 1.00 0.00 C ATOM 0 H LEU A 98 0.202 4.825 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 98 2.292 5.361 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.174 3.483 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.645 2.554 -6.014 1.00 0.00 H new ATOM 0 HG LEU A 98 1.756 4.673 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.351 4.192 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.722 4.859 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.889 3.112 -4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.632 2.882 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.112 1.737 -3.692 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.735 2.463 -3.765 1.00 0.00 H new ATOM 808 N LYS A 99 3.096 3.244 -8.284 1.00 0.00 N ATOM 809 CA LYS A 99 4.176 2.720 -9.098 1.00 0.00 C ATOM 810 C LYS A 99 5.131 3.848 -9.504 1.00 0.00 C ATOM 811 O LYS A 99 6.340 3.720 -9.336 1.00 0.00 O ATOM 812 CB LYS A 99 3.548 1.988 -10.298 1.00 0.00 C ATOM 813 CG LYS A 99 4.575 1.428 -11.282 1.00 0.00 C ATOM 814 CD LYS A 99 3.890 0.446 -12.252 1.00 0.00 C ATOM 815 CE LYS A 99 4.858 -0.065 -13.333 1.00 0.00 C ATOM 816 NZ LYS A 99 4.259 -1.123 -14.180 1.00 0.00 N ATOM 0 H LYS A 99 2.177 2.933 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 99 4.784 2.006 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.928 1.171 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.888 2.676 -10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.038 2.242 -11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.372 0.920 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.493 -0.400 -11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.042 0.939 -12.728 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.166 0.769 -13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.758 -0.453 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.011 -1.618 -14.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.749 -1.802 -13.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.596 -0.693 -14.856 1.00 0.00 H new ATOM 817 N LYS A 100 4.596 4.957 -10.020 1.00 0.00 N ATOM 818 CA LYS A 100 5.401 6.062 -10.527 1.00 0.00 C ATOM 819 C LYS A 100 6.163 6.760 -9.394 1.00 0.00 C ATOM 820 O LYS A 100 7.323 7.156 -9.537 1.00 0.00 O ATOM 821 CB LYS A 100 4.478 7.053 -11.250 1.00 0.00 C ATOM 822 CG LYS A 100 5.097 7.663 -12.515 1.00 0.00 C ATOM 823 CD LYS A 100 6.272 8.605 -12.209 1.00 0.00 C ATOM 824 CE LYS A 100 7.634 7.924 -12.426 1.00 0.00 C ATOM 825 NZ LYS A 100 8.663 8.429 -11.499 1.00 0.00 N ATOM 0 H LYS A 100 3.591 5.111 -10.096 1.00 0.00 H new ATOM 0 HA LYS A 100 6.144 5.674 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.552 6.544 -11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.212 7.856 -10.563 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.441 6.861 -13.168 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.330 8.212 -13.061 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.203 9.487 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.200 8.950 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 100 7.525 6.848 -12.294 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.961 8.088 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.602 8.114 -11.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.634 9.468 -11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.480 8.061 -10.543 1.00 0.00 H new ATOM 826 N ALA A 101 5.461 6.959 -8.282 1.00 0.00 N ATOM 827 CA ALA A 101 5.979 7.552 -7.058 1.00 0.00 C ATOM 828 C ALA A 101 7.051 6.664 -6.418 1.00 0.00 C ATOM 829 O ALA A 101 7.983 7.162 -5.795 1.00 0.00 O ATOM 830 CB ALA A 101 4.812 7.774 -6.092 1.00 0.00 C ATOM 0 H ALA A 101 4.477 6.700 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 101 6.453 8.505 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.184 8.218 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.083 8.443 -6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.337 6.818 -5.869 1.00 0.00 H new ATOM 831 N SER A 102 6.901 5.347 -6.569 1.00 0.00 N ATOM 832 CA SER A 102 7.722 4.306 -5.968 1.00 0.00 C ATOM 833 C SER A 102 8.673 3.722 -7.019 1.00 0.00 C ATOM 834 O SER A 102 8.969 2.527 -7.007 1.00 0.00 O ATOM 835 CB SER A 102 6.754 3.255 -5.421 1.00 0.00 C ATOM 836 OG SER A 102 7.358 2.311 -4.559 1.00 0.00 O ATOM 0 H SER A 102 6.157 4.960 -7.150 1.00 0.00 H new ATOM 0 HA SER A 102 8.348 4.689 -5.163 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.951 3.760 -4.884 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.296 2.727 -6.258 1.00 0.00 H new ATOM 0 HG SER A 102 8.149 1.930 -4.994 1.00 0.00 H new ATOM 837 N GLU A 103 9.115 4.579 -7.937 1.00 0.00 N ATOM 838 CA GLU A 103 10.102 4.273 -8.954 1.00 0.00 C ATOM 839 C GLU A 103 11.492 4.423 -8.329 1.00 0.00 C ATOM 840 O GLU A 103 12.286 3.462 -8.439 1.00 0.00 O ATOM 841 CB GLU A 103 9.866 5.232 -10.129 1.00 0.00 C ATOM 842 CG GLU A 103 10.686 4.935 -11.387 1.00 0.00 C ATOM 843 CD GLU A 103 10.314 5.916 -12.485 1.00 0.00 C ATOM 844 OE1 GLU A 103 10.745 7.085 -12.371 1.00 0.00 O ATOM 845 OE2 GLU A 103 9.477 5.556 -13.337 1.00 0.00 O ATOM 846 OXT GLU A 103 11.723 5.492 -7.721 1.00 0.00 O ATOM 0 H GLU A 103 8.779 5.541 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 103 10.022 3.253 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.808 5.208 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.090 6.247 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.750 5.010 -11.165 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.501 3.914 -11.721 1.00 0.00 H new TER 847 GLU A 103 HETATM 848 C CYN A 105 -3.696 -0.818 3.653 1.00 0.00 C HETATM 849 N CYN A 105 -4.564 -1.719 3.515 1.00 0.00 N HETATM 850 FE HEM A 104 -2.484 0.578 3.825 1.00 0.00 FE HETATM 851 CHA HEM A 104 -0.098 -1.720 4.968 1.00 0.00 C HETATM 852 CHB HEM A 104 -1.249 0.249 0.605 1.00 0.00 C HETATM 853 CHC HEM A 104 -5.011 2.648 2.707 1.00 0.00 C HETATM 854 CHD HEM A 104 -3.418 1.215 7.104 1.00 0.00 C HETATM 855 NA HEM A 104 -0.983 -0.599 2.931 1.00 0.00 N HETATM 856 C1A HEM A 104 -0.146 -1.461 3.599 1.00 0.00 C HETATM 857 C2A HEM A 104 0.770 -2.022 2.631 1.00 0.00 C HETATM 858 C3A HEM A 104 0.462 -1.452 1.413 1.00 0.00 C HETATM 859 C4A HEM A 104 -0.653 -0.544 1.607 1.00 0.00 C HETATM 860 CMA HEM A 104 1.184 -1.736 0.120 1.00 0.00 C HETATM 861 CAA HEM A 104 1.882 -3.032 2.894 1.00 0.00 C HETATM 862 CBA HEM A 104 3.129 -2.494 3.619 1.00 0.00 C HETATM 863 CGA HEM A 104 4.320 -3.467 3.631 1.00 0.00 C HETATM 864 O1A HEM A 104 5.466 -2.974 3.665 1.00 0.00 O HETATM 865 O2A HEM A 104 4.097 -4.698 3.602 1.00 0.00 O HETATM 866 NB HEM A 104 -3.048 1.303 1.981 1.00 0.00 N HETATM 867 C1B HEM A 104 -2.369 1.081 0.814 1.00 0.00 C HETATM 868 C2B HEM A 104 -3.007 1.893 -0.205 1.00 0.00 C HETATM 869 C3B HEM A 104 -4.093 2.515 0.377 1.00 0.00 C HETATM 870 C4B HEM A 104 -4.100 2.151 1.773 1.00 0.00 C HETATM 871 CMB HEM A 104 -2.524 2.105 -1.625 1.00 0.00 C HETATM 872 CAB HEM A 104 -5.094 3.425 -0.309 1.00 0.00 C HETATM 873 CBB HEM A 104 -6.055 2.654 -1.206 1.00 0.00 C HETATM 874 NC HEM A 104 -4.005 1.675 4.742 1.00 0.00 N HETATM 875 C1C HEM A 104 -4.911 2.437 4.076 1.00 0.00 C HETATM 876 C2C HEM A 104 -5.726 3.120 5.052 1.00 0.00 C HETATM 877 C3C HEM A 104 -5.270 2.739 6.296 1.00 0.00 C HETATM 878 C4C HEM A 104 -4.177 1.807 6.087 1.00 0.00 C HETATM 879 CMC HEM A 104 -6.670 4.265 4.755 1.00 0.00 C HETATM 880 CAC HEM A 104 -5.652 3.375 7.620 1.00 0.00 C HETATM 881 CBC HEM A 104 -7.082 3.094 8.094 1.00 0.00 C HETATM 882 ND HEM A 104 -1.868 -0.117 5.691 1.00 0.00 N HETATM 883 C1D HEM A 104 -2.369 0.324 6.883 1.00 0.00 C HETATM 884 C2D HEM A 104 -1.610 -0.305 7.941 1.00 0.00 C HETATM 885 C3D HEM A 104 -0.696 -1.145 7.338 1.00 0.00 C HETATM 886 C4D HEM A 104 -0.871 -1.027 5.909 1.00 0.00 C HETATM 887 CMD HEM A 104 -1.794 -0.062 9.425 1.00 0.00 C HETATM 888 CAD HEM A 104 0.276 -2.090 8.007 1.00 0.00 C HETATM 889 CBD HEM A 104 -0.280 -3.510 7.985 1.00 0.00 C HETATM 890 CGD HEM A 104 0.756 -4.598 8.235 1.00 0.00 C HETATM 891 O1D HEM A 104 0.447 -5.478 9.065 1.00 0.00 O HETATM 892 O2D HEM A 104 1.809 -4.562 7.562 1.00 0.00 O HETATM 0 HMA1 HEM A 104 2.222 -1.993 0.332 1.00 0.00 H new HETATM 0 HMA2 HEM A 104 1.152 -0.852 -0.517 1.00 0.00 H new HETATM 0 HMA3 HEM A 104 0.701 -2.569 -0.391 1.00 0.00 H new HETATM 0 HMB1 HEM A 104 -3.379 2.277 -2.278 1.00 0.00 H new HETATM 0 HMB2 HEM A 104 -1.983 1.221 -1.961 1.00 0.00 H new HETATM 0 HMB3 HEM A 104 -1.862 2.970 -1.659 1.00 0.00 H new HETATM 0 HMC1 HEM A 104 -7.500 4.245 5.461 1.00 0.00 H new HETATM 0 HMC2 HEM A 104 -7.055 4.166 3.740 1.00 0.00 H new HETATM 0 HMC3 HEM A 104 -6.136 5.211 4.850 1.00 0.00 H new HETATM 0 HMD1 HEM A 104 -2.147 0.957 9.586 1.00 0.00 H new HETATM 0 HMD2 HEM A 104 -0.842 -0.201 9.937 1.00 0.00 H new HETATM 0 HMD3 HEM A 104 -2.525 -0.766 9.821 1.00 0.00 H new HETATM 0 HBB1 HEM A 104 -6.828 3.186 -1.761 1.00 0.00 H new HETATM 0 HBB2 HEM A 104 -5.969 1.571 -1.293 1.00 0.00 H new HETATM 0 HBC1 HEM A 104 -7.436 3.514 9.035 1.00 0.00 H new HETATM 0 HBC2 HEM A 104 -7.745 2.474 7.490 1.00 0.00 H new HETATM 0 HBA1 HEM A 104 2.861 -2.252 4.648 1.00 0.00 H new HETATM 0 HBA2 HEM A 104 3.439 -1.564 3.143 1.00 0.00 H new HETATM 0 HAA1 HEM A 104 2.196 -3.453 1.939 1.00 0.00 H new HETATM 0 HAA2 HEM A 104 1.469 -3.851 3.483 1.00 0.00 H new HETATM 0 HBD1 HEM A 104 -0.749 -3.688 7.017 1.00 0.00 H new HETATM 0 HBD2 HEM A 104 -1.063 -3.592 8.739 1.00 0.00 H new HETATM 0 HAD1 HEM A 104 0.453 -1.775 9.036 1.00 0.00 H new HETATM 0 HAD2 HEM A 104 1.238 -2.059 7.495 1.00 0.00 H new HETATM 0 HHA HEM A 104 0.568 -2.493 5.321 1.00 0.00 H new HETATM 0 HHB HEM A 104 -0.821 0.217 -0.386 1.00 0.00 H new HETATM 0 HHC HEM A 104 -5.844 3.232 2.343 1.00 0.00 H new HETATM 0 HHD HEM A 104 -3.661 1.465 8.126 1.00 0.00 H new HETATM 0 HAB HEM A 104 -5.123 4.506 -0.176 1.00 0.00 H new HETATM 0 HAC HEM A 104 -4.958 3.989 8.194 1.00 0.00 H new