USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 775 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 HIS : no HD1:sc= -0.0222 X(o=-0.025,f=-0.21) USER MOD Set 1.2: A 91 HIS : no HD1:sc=-0.00247 X(o=-0.025,f=-0.018) USER MOD Set 2.1: A 38 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Set 2.2: A 81 SER OG : rot 179:sc= 0 USER MOD Single : A 1 GLN : amide:sc=-0.00308 X(o=-0.0031,f=-0.0031) USER MOD Single : A 1 GLN N :NH3+ 146:sc= 0.0198 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -2.68 X(o=-2.7,f=-3.1!) USER MOD Single : A 11 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.207) USER MOD Single : A 33 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 97:sc= 1.22 USER MOD Single : A 43 HIS : no HD1:sc= -4.37! C(o=-4.4!,f=-2.2!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 47 ASN : amide:sc= -0.0807 X(o=-0.081,f=0) USER MOD Single : A 50 SER OG : rot 100:sc= 0.712 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.018) USER MOD Single : A 56 GLN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 72 MET CE :methyl -156:sc= -0.169 (180deg=-0.785) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0723 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 89 HIS : no HD1:sc=-6.92e-05 X(o=-6.9e-05,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.547 K(o=-0.55,f=-1.6) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 93 HIS : no HD1:sc= -0.0593 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 135.000 -3.726 -0.125 1.00 0.00 N ATOM 2 CA GLN A 1 135.120 -2.450 0.637 1.00 0.00 C ATOM 3 C GLN A 1 136.334 -2.464 1.569 1.00 0.00 C ATOM 4 O GLN A 1 137.072 -3.450 1.623 1.00 0.00 O ATOM 5 CB GLN A 1 133.830 -2.231 1.434 1.00 0.00 C ATOM 6 CG GLN A 1 132.837 -1.311 0.741 1.00 0.00 C ATOM 7 CD GLN A 1 133.245 0.148 0.822 1.00 0.00 C ATOM 8 OE1 GLN A 1 133.254 0.740 1.900 1.00 0.00 O ATOM 9 NE2 GLN A 1 133.587 0.736 -0.319 1.00 0.00 N ATOM 0 H1 GLN A 1 133.995 -3.951 -0.270 1.00 0.00 H new ATOM 0 H2 GLN A 1 135.469 -3.625 -1.048 1.00 0.00 H new ATOM 0 H3 GLN A 1 135.452 -4.494 0.411 1.00 0.00 H new ATOM 0 HA GLN A 1 135.267 -1.630 -0.065 1.00 0.00 H new ATOM 0 HB2 GLN A 1 133.355 -3.196 1.614 1.00 0.00 H new ATOM 0 HB3 GLN A 1 134.081 -1.813 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 1 132.746 -1.602 -0.305 1.00 0.00 H new ATOM 0 HG3 GLN A 1 131.853 -1.436 1.194 1.00 0.00 H new ATOM 0 HE21 GLN A 1 133.566 0.208 -1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 1 133.871 1.716 -0.323 1.00 0.00 H new ATOM 17 N SER A 2 136.542 -1.356 2.292 1.00 0.00 N ATOM 18 CA SER A 2 137.676 -1.226 3.211 1.00 0.00 C ATOM 19 C SER A 2 139.001 -1.263 2.446 1.00 0.00 C ATOM 20 O SER A 2 140.020 -1.729 2.962 1.00 0.00 O ATOM 21 CB SER A 2 137.643 -2.331 4.273 1.00 0.00 C ATOM 22 OG SER A 2 136.590 -2.116 5.197 1.00 0.00 O ATOM 0 H SER A 2 135.937 -0.536 2.257 1.00 0.00 H new ATOM 0 HA SER A 2 137.595 -0.262 3.713 1.00 0.00 H new ATOM 0 HB2 SER A 2 137.516 -3.300 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 138.596 -2.360 4.802 1.00 0.00 H new ATOM 0 HG SER A 2 136.588 -2.834 5.864 1.00 0.00 H new ATOM 28 N ASP A 3 138.976 -0.762 1.210 1.00 0.00 N ATOM 29 CA ASP A 3 140.165 -0.729 0.365 1.00 0.00 C ATOM 30 C ASP A 3 141.027 0.480 0.707 1.00 0.00 C ATOM 31 O ASP A 3 140.670 1.617 0.393 1.00 0.00 O ATOM 32 CB ASP A 3 139.764 -0.682 -1.113 1.00 0.00 C ATOM 33 CG ASP A 3 139.250 -2.015 -1.624 1.00 0.00 C ATOM 34 OD1 ASP A 3 138.340 -2.587 -0.985 1.00 0.00 O ATOM 35 OD2 ASP A 3 139.756 -2.486 -2.663 1.00 0.00 O ATOM 0 H ASP A 3 138.141 -0.373 0.773 1.00 0.00 H new ATOM 0 HA ASP A 3 140.743 -1.635 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 3 138.994 0.077 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 3 140.624 -0.377 -1.709 1.00 0.00 H new ATOM 40 N VAL A 4 142.161 0.229 1.356 1.00 0.00 N ATOM 41 CA VAL A 4 143.071 1.303 1.744 1.00 0.00 C ATOM 42 C VAL A 4 143.900 1.772 0.549 1.00 0.00 C ATOM 43 O VAL A 4 144.407 0.957 -0.224 1.00 0.00 O ATOM 44 CB VAL A 4 144.018 0.869 2.886 1.00 0.00 C ATOM 45 CG1 VAL A 4 144.806 2.063 3.407 1.00 0.00 C ATOM 46 CG2 VAL A 4 143.237 0.211 4.017 1.00 0.00 C ATOM 0 H VAL A 4 142.471 -0.705 1.624 1.00 0.00 H new ATOM 0 HA VAL A 4 142.453 2.127 2.103 1.00 0.00 H new ATOM 0 HB VAL A 4 144.720 0.137 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 4 145.468 1.740 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 4 145.399 2.489 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 4 144.116 2.817 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 4 143.924 -0.086 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 4 142.508 0.917 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 142.719 -0.670 3.637 1.00 0.00 H new ATOM 56 N ARG A 5 144.029 3.092 0.402 1.00 0.00 N ATOM 57 CA ARG A 5 144.791 3.672 -0.701 1.00 0.00 C ATOM 58 C ARG A 5 146.268 3.792 -0.337 1.00 0.00 C ATOM 59 O ARG A 5 146.653 4.641 0.471 1.00 0.00 O ATOM 60 CB ARG A 5 144.226 5.048 -1.070 1.00 0.00 C ATOM 61 CG ARG A 5 143.759 5.146 -2.514 1.00 0.00 C ATOM 62 CD ARG A 5 142.491 4.337 -2.752 1.00 0.00 C ATOM 63 NE ARG A 5 141.374 4.808 -1.933 1.00 0.00 N ATOM 64 CZ ARG A 5 140.679 5.922 -2.184 1.00 0.00 C ATOM 65 NH1 ARG A 5 140.984 6.686 -3.230 1.00 0.00 N ATOM 66 NH2 ARG A 5 139.676 6.272 -1.386 1.00 0.00 N ATOM 0 H ARG A 5 143.615 3.778 1.034 1.00 0.00 H new ATOM 0 HA ARG A 5 144.702 3.009 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 5 143.389 5.277 -0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 5 144.990 5.805 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 5 143.577 6.190 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 5 144.548 4.790 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 5 142.217 4.395 -3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 5 142.685 3.287 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 5 141.109 4.252 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 5 141.753 6.423 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 5 140.449 7.535 -3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 5 139.437 5.691 -0.583 1.00 0.00 H new ATOM 0 HH22 ARG A 5 139.145 7.122 -1.577 1.00 0.00 H new ATOM 80 N ILE A 6 147.088 2.933 -0.936 1.00 0.00 N ATOM 81 CA ILE A 6 148.523 2.934 -0.676 1.00 0.00 C ATOM 82 C ILE A 6 149.299 3.435 -1.893 1.00 0.00 C ATOM 83 O ILE A 6 149.212 2.855 -2.978 1.00 0.00 O ATOM 84 CB ILE A 6 149.027 1.523 -0.295 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.125 0.902 0.778 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.469 1.583 0.193 1.00 0.00 C ATOM 87 CD1 ILE A 6 148.396 -0.567 1.022 1.00 0.00 C ATOM 0 H ILE A 6 146.782 2.227 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 6 148.696 3.608 0.163 1.00 0.00 H new ATOM 0 HB ILE A 6 148.990 0.894 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 6 148.258 1.447 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.083 1.026 0.482 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.806 0.580 0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 6 151.104 1.983 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.530 2.228 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 6 147.721 -0.938 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 6 148.235 -1.125 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 6 149.427 -0.697 1.349 1.00 0.00 H new ATOM 99 N LYS A 7 150.056 4.516 -1.704 1.00 0.00 N ATOM 100 CA LYS A 7 150.851 5.097 -2.781 1.00 0.00 C ATOM 101 C LYS A 7 152.316 4.687 -2.651 1.00 0.00 C ATOM 102 O LYS A 7 152.970 4.994 -1.651 1.00 0.00 O ATOM 103 CB LYS A 7 150.729 6.623 -2.770 1.00 0.00 C ATOM 104 CG LYS A 7 151.386 7.299 -3.965 1.00 0.00 C ATOM 105 CD LYS A 7 152.280 8.452 -3.532 1.00 0.00 C ATOM 106 CE LYS A 7 151.590 9.797 -3.711 1.00 0.00 C ATOM 107 NZ LYS A 7 150.379 9.926 -2.851 1.00 0.00 N ATOM 0 H LYS A 7 150.134 5.006 -0.813 1.00 0.00 H new ATOM 0 HA LYS A 7 150.468 4.720 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 7 149.673 6.894 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 7 151.178 7.008 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 7 151.976 6.568 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 7 150.617 7.668 -4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 7 152.560 8.323 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 7 153.202 8.436 -4.113 1.00 0.00 H new ATOM 0 HE2 LYS A 7 152.290 10.598 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 7 151.307 9.922 -4.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 149.941 10.857 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 149.698 9.178 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 150.651 9.833 -1.852 1.00 0.00 H new ATOM 121 N PHE A 8 152.825 3.995 -3.669 1.00 0.00 N ATOM 122 CA PHE A 8 154.214 3.541 -3.678 1.00 0.00 C ATOM 123 C PHE A 8 155.072 4.463 -4.542 1.00 0.00 C ATOM 124 O PHE A 8 154.742 4.718 -5.702 1.00 0.00 O ATOM 125 CB PHE A 8 154.300 2.102 -4.199 1.00 0.00 C ATOM 126 CG PHE A 8 153.363 1.151 -3.506 1.00 0.00 C ATOM 127 CD1 PHE A 8 153.720 0.555 -2.307 1.00 0.00 C ATOM 128 CD2 PHE A 8 152.124 0.857 -4.054 1.00 0.00 C ATOM 129 CE1 PHE A 8 152.858 -0.316 -1.667 1.00 0.00 C ATOM 130 CE2 PHE A 8 151.259 -0.013 -3.419 1.00 0.00 C ATOM 131 CZ PHE A 8 151.627 -0.601 -2.224 1.00 0.00 C ATOM 0 H PHE A 8 152.294 3.736 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 8 154.592 3.569 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 8 154.083 2.098 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 8 155.322 1.742 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 8 154.682 0.773 -1.868 1.00 0.00 H new ATOM 0 HD2 PHE A 8 151.832 1.313 -4.988 1.00 0.00 H new ATOM 0 HE1 PHE A 8 153.147 -0.773 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 8 150.296 -0.233 -3.856 1.00 0.00 H new ATOM 0 HZ PHE A 8 150.953 -1.282 -1.726 1.00 0.00 H new ATOM 141 N GLU A 9 156.170 4.963 -3.972 1.00 0.00 N ATOM 142 CA GLU A 9 157.066 5.862 -4.697 1.00 0.00 C ATOM 143 C GLU A 9 158.468 5.267 -4.825 1.00 0.00 C ATOM 144 O GLU A 9 159.053 4.808 -3.841 1.00 0.00 O ATOM 145 CB GLU A 9 157.137 7.224 -4.000 1.00 0.00 C ATOM 146 CG GLU A 9 157.789 8.308 -4.848 1.00 0.00 C ATOM 147 CD GLU A 9 158.084 9.574 -4.064 1.00 0.00 C ATOM 148 OE1 GLU A 9 158.812 9.492 -3.052 1.00 0.00 O ATOM 149 OE2 GLU A 9 157.589 10.648 -4.466 1.00 0.00 O ATOM 0 H GLU A 9 156.458 4.761 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 9 156.660 5.995 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 9 156.128 7.540 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 9 157.694 7.118 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 9 158.718 7.923 -5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 9 157.135 8.550 -5.686 1.00 0.00 H new ATOM 156 N HIS A 10 159.000 5.292 -6.047 1.00 0.00 N ATOM 157 CA HIS A 10 160.335 4.770 -6.322 1.00 0.00 C ATOM 158 C HIS A 10 161.056 5.653 -7.338 1.00 0.00 C ATOM 159 O HIS A 10 160.581 5.832 -8.461 1.00 0.00 O ATOM 160 CB HIS A 10 160.252 3.333 -6.845 1.00 0.00 C ATOM 161 CG HIS A 10 161.547 2.588 -6.745 1.00 0.00 C ATOM 162 ND1 HIS A 10 162.190 2.040 -7.836 1.00 0.00 N ATOM 163 CD2 HIS A 10 162.322 2.302 -5.673 1.00 0.00 C ATOM 164 CE1 HIS A 10 163.303 1.448 -7.438 1.00 0.00 C ATOM 165 NE2 HIS A 10 163.406 1.595 -6.130 1.00 0.00 N ATOM 0 H HIS A 10 158.522 5.671 -6.865 1.00 0.00 H new ATOM 0 HA HIS A 10 160.901 4.773 -5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 10 159.487 2.794 -6.285 1.00 0.00 H new ATOM 0 HB3 HIS A 10 159.931 3.351 -7.887 1.00 0.00 H new ATOM 0 HD2 HIS A 10 162.124 2.579 -4.648 1.00 0.00 H new ATOM 0 HE1 HIS A 10 164.007 0.932 -8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 10 164.168 1.240 -5.552 1.00 0.00 H new ATOM 174 N ASN A 11 162.204 6.201 -6.934 1.00 0.00 N ATOM 175 CA ASN A 11 163.005 7.070 -7.802 1.00 0.00 C ATOM 176 C ASN A 11 162.187 8.258 -8.316 1.00 0.00 C ATOM 177 O ASN A 11 162.372 8.708 -9.450 1.00 0.00 O ATOM 178 CB ASN A 11 163.570 6.270 -8.982 1.00 0.00 C ATOM 179 CG ASN A 11 164.655 5.295 -8.561 1.00 0.00 C ATOM 180 OD1 ASN A 11 164.493 4.546 -7.597 1.00 0.00 O ATOM 181 ND2 ASN A 11 165.770 5.297 -9.285 1.00 0.00 N ATOM 0 H ASN A 11 162.602 6.058 -6.006 1.00 0.00 H new ATOM 0 HA ASN A 11 163.830 7.462 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 11 162.761 5.721 -9.465 1.00 0.00 H new ATOM 0 HB3 ASN A 11 163.974 6.959 -9.723 1.00 0.00 H new ATOM 0 HD21 ASN A 11 166.532 4.661 -9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 11 165.863 5.934 -10.076 1.00 0.00 H new ATOM 188 N GLY A 12 161.280 8.764 -7.478 1.00 0.00 N ATOM 189 CA GLY A 12 160.448 9.893 -7.869 1.00 0.00 C ATOM 190 C GLY A 12 159.153 9.474 -8.556 1.00 0.00 C ATOM 191 O GLY A 12 158.237 10.286 -8.701 1.00 0.00 O ATOM 0 H GLY A 12 161.107 8.412 -6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 12 160.208 10.483 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 12 161.015 10.539 -8.539 1.00 0.00 H new ATOM 195 N GLU A 13 159.069 8.208 -8.974 1.00 0.00 N ATOM 196 CA GLU A 13 157.873 7.695 -9.638 1.00 0.00 C ATOM 197 C GLU A 13 156.891 7.138 -8.611 1.00 0.00 C ATOM 198 O GLU A 13 157.201 6.180 -7.903 1.00 0.00 O ATOM 199 CB GLU A 13 158.246 6.607 -10.649 1.00 0.00 C ATOM 200 CG GLU A 13 159.075 7.117 -11.819 1.00 0.00 C ATOM 201 CD GLU A 13 160.204 6.176 -12.192 1.00 0.00 C ATOM 202 OE1 GLU A 13 161.257 6.215 -11.519 1.00 0.00 O ATOM 203 OE2 GLU A 13 160.036 5.400 -13.155 1.00 0.00 O ATOM 0 H GLU A 13 159.816 7.522 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 13 157.397 8.519 -10.169 1.00 0.00 H new ATOM 0 HB2 GLU A 13 158.802 5.822 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 13 157.333 6.152 -11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 158.426 7.260 -12.683 1.00 0.00 H new ATOM 0 HG3 GLU A 13 159.490 8.093 -11.567 1.00 0.00 H new ATOM 210 N ARG A 14 155.711 7.752 -8.529 1.00 0.00 N ATOM 211 CA ARG A 14 154.687 7.322 -7.577 1.00 0.00 C ATOM 212 C ARG A 14 153.499 6.675 -8.290 1.00 0.00 C ATOM 213 O ARG A 14 153.119 7.088 -9.387 1.00 0.00 O ATOM 214 CB ARG A 14 154.212 8.507 -6.724 1.00 0.00 C ATOM 215 CG ARG A 14 153.922 9.772 -7.519 1.00 0.00 C ATOM 216 CD ARG A 14 155.164 10.638 -7.666 1.00 0.00 C ATOM 217 NE ARG A 14 155.276 11.211 -9.005 1.00 0.00 N ATOM 218 CZ ARG A 14 154.592 12.282 -9.418 1.00 0.00 C ATOM 219 NH1 ARG A 14 153.750 12.904 -8.596 1.00 0.00 N ATOM 220 NH2 ARG A 14 154.752 12.732 -10.657 1.00 0.00 N ATOM 0 H ARG A 14 155.441 8.547 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 14 155.136 6.574 -6.924 1.00 0.00 H new ATOM 0 HB2 ARG A 14 153.310 8.215 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 14 154.972 8.729 -5.975 1.00 0.00 H new ATOM 0 HG2 ARG A 14 153.546 9.504 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 14 153.137 10.342 -7.023 1.00 0.00 H new ATOM 0 HD2 ARG A 14 155.135 11.441 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 14 156.050 10.040 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 14 155.915 10.767 -9.664 1.00 0.00 H new ATOM 0 HH11 ARG A 14 153.623 12.564 -7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 14 153.232 13.721 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 14 155.396 12.260 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 14 154.231 13.549 -10.974 1.00 0.00 H new ATOM 234 N ARG A 15 152.920 5.654 -7.655 1.00 0.00 N ATOM 235 CA ARG A 15 151.777 4.940 -8.222 1.00 0.00 C ATOM 236 C ARG A 15 150.681 4.732 -7.174 1.00 0.00 C ATOM 237 O ARG A 15 150.968 4.426 -6.015 1.00 0.00 O ATOM 238 CB ARG A 15 152.227 3.589 -8.786 1.00 0.00 C ATOM 239 CG ARG A 15 153.142 3.705 -9.995 1.00 0.00 C ATOM 240 CD ARG A 15 152.836 2.635 -11.033 1.00 0.00 C ATOM 241 NE ARG A 15 153.803 2.643 -12.129 1.00 0.00 N ATOM 242 CZ ARG A 15 153.797 3.534 -13.125 1.00 0.00 C ATOM 243 NH1 ARG A 15 152.874 4.493 -13.166 1.00 0.00 N ATOM 244 NH2 ARG A 15 154.717 3.466 -14.081 1.00 0.00 N ATOM 0 H ARG A 15 153.225 5.304 -6.747 1.00 0.00 H new ATOM 0 HA ARG A 15 151.365 5.547 -9.029 1.00 0.00 H new ATOM 0 HB2 ARG A 15 152.743 3.032 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 15 151.346 3.009 -9.062 1.00 0.00 H new ATOM 0 HG2 ARG A 15 153.029 4.692 -10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 15 154.181 3.617 -9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 15 152.838 1.655 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 15 151.834 2.793 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 15 154.527 1.924 -12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 15 152.166 4.551 -12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 15 152.875 5.170 -13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 15 155.427 2.734 -14.054 1.00 0.00 H new ATOM 0 HH22 ARG A 15 154.713 4.146 -14.842 1.00 0.00 H new ATOM 258 N ILE A 16 149.426 4.903 -7.594 1.00 0.00 N ATOM 259 CA ILE A 16 148.282 4.739 -6.698 1.00 0.00 C ATOM 260 C ILE A 16 147.590 3.395 -6.924 1.00 0.00 C ATOM 261 O ILE A 16 147.082 3.124 -8.014 1.00 0.00 O ATOM 262 CB ILE A 16 147.248 5.872 -6.890 1.00 0.00 C ATOM 263 CG1 ILE A 16 147.936 7.241 -6.870 1.00 0.00 C ATOM 264 CG2 ILE A 16 146.170 5.800 -5.815 1.00 0.00 C ATOM 265 CD1 ILE A 16 148.323 7.745 -8.244 1.00 0.00 C ATOM 0 H ILE A 16 149.177 5.155 -8.550 1.00 0.00 H new ATOM 0 HA ILE A 16 148.672 4.778 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 16 146.774 5.741 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE A 16 147.271 7.966 -6.400 1.00 0.00 H new ATOM 0 HG13 ILE A 16 148.830 7.180 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 16 145.451 6.605 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 16 145.658 4.840 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 16 146.629 5.903 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 16 148.805 8.718 -8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 16 149.013 7.041 -8.709 1.00 0.00 H new ATOM 0 HD13 ILE A 16 147.430 7.839 -8.862 1.00 0.00 H new ATOM 277 N ILE A 17 147.568 2.558 -5.884 1.00 0.00 N ATOM 278 CA ILE A 17 146.932 1.244 -5.964 1.00 0.00 C ATOM 279 C ILE A 17 146.115 0.954 -4.705 1.00 0.00 C ATOM 280 O ILE A 17 146.609 1.102 -3.585 1.00 0.00 O ATOM 281 CB ILE A 17 147.971 0.117 -6.163 1.00 0.00 C ATOM 282 CG1 ILE A 17 148.917 0.456 -7.319 1.00 0.00 C ATOM 283 CG2 ILE A 17 147.274 -1.215 -6.418 1.00 0.00 C ATOM 284 CD1 ILE A 17 150.186 1.152 -6.879 1.00 0.00 C ATOM 0 H ILE A 17 147.984 2.768 -4.977 1.00 0.00 H new ATOM 0 HA ILE A 17 146.270 1.267 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 17 148.560 0.029 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 17 149.180 -0.463 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 17 148.392 1.092 -8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 17 148.021 -1.996 -6.556 1.00 0.00 H new ATOM 0 HG22 ILE A 17 146.642 -1.464 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 17 146.660 -1.138 -7.315 1.00 0.00 H new ATOM 0 HD11 ILE A 17 150.807 1.361 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 17 149.934 2.088 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 17 150.733 0.509 -6.189 1.00 0.00 H new ATOM 296 N ALA A 18 144.862 0.539 -4.899 1.00 0.00 N ATOM 297 CA ALA A 18 143.974 0.224 -3.782 1.00 0.00 C ATOM 298 C ALA A 18 144.085 -1.247 -3.389 1.00 0.00 C ATOM 299 O ALA A 18 144.236 -2.119 -4.247 1.00 0.00 O ATOM 300 CB ALA A 18 142.534 0.571 -4.134 1.00 0.00 C ATOM 0 H ALA A 18 144.441 0.414 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 18 144.281 0.826 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 18 141.885 0.330 -3.292 1.00 0.00 H new ATOM 0 HB2 ALA A 18 142.460 1.636 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 18 142.224 -0.004 -5.006 1.00 0.00 H new ATOM 306 N PHE A 19 144.007 -1.515 -2.086 1.00 0.00 N ATOM 307 CA PHE A 19 144.097 -2.880 -1.574 1.00 0.00 C ATOM 308 C PHE A 19 143.004 -3.149 -0.542 1.00 0.00 C ATOM 309 O PHE A 19 142.954 -2.502 0.506 1.00 0.00 O ATOM 310 CB PHE A 19 145.477 -3.122 -0.954 1.00 0.00 C ATOM 311 CG PHE A 19 146.575 -3.282 -1.970 1.00 0.00 C ATOM 312 CD1 PHE A 19 146.550 -4.331 -2.876 1.00 0.00 C ATOM 313 CD2 PHE A 19 147.629 -2.384 -2.020 1.00 0.00 C ATOM 314 CE1 PHE A 19 147.555 -4.480 -3.812 1.00 0.00 C ATOM 315 CE2 PHE A 19 148.637 -2.529 -2.953 1.00 0.00 C ATOM 316 CZ PHE A 19 148.600 -3.579 -3.851 1.00 0.00 C ATOM 0 H PHE A 19 143.882 -0.804 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 19 143.956 -3.567 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 19 145.721 -2.288 -0.296 1.00 0.00 H new ATOM 0 HB3 PHE A 19 145.435 -4.017 -0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 19 145.736 -5.040 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 19 147.663 -1.561 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 19 147.523 -5.301 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 19 149.453 -1.823 -2.981 1.00 0.00 H new ATOM 0 HZ PHE A 19 149.387 -3.694 -4.582 1.00 0.00 H new ATOM 326 N SER A 20 142.130 -4.109 -0.847 1.00 0.00 N ATOM 327 CA SER A 20 141.034 -4.471 0.049 1.00 0.00 C ATOM 328 C SER A 20 141.567 -5.054 1.358 1.00 0.00 C ATOM 329 O SER A 20 142.412 -5.950 1.349 1.00 0.00 O ATOM 330 CB SER A 20 140.105 -5.479 -0.634 1.00 0.00 C ATOM 331 OG SER A 20 138.998 -5.802 0.191 1.00 0.00 O ATOM 0 H SER A 20 142.161 -4.651 -1.711 1.00 0.00 H new ATOM 0 HA SER A 20 140.472 -3.566 0.281 1.00 0.00 H new ATOM 0 HB2 SER A 20 139.749 -5.067 -1.578 1.00 0.00 H new ATOM 0 HB3 SER A 20 140.661 -6.386 -0.871 1.00 0.00 H new ATOM 0 HG SER A 20 138.422 -6.446 -0.272 1.00 0.00 H new ATOM 337 N ARG A 21 141.068 -4.539 2.481 1.00 0.00 N ATOM 338 CA ARG A 21 141.497 -5.006 3.797 1.00 0.00 C ATOM 339 C ARG A 21 140.901 -6.377 4.123 1.00 0.00 C ATOM 340 O ARG A 21 139.903 -6.786 3.528 1.00 0.00 O ATOM 341 CB ARG A 21 141.099 -3.997 4.876 1.00 0.00 C ATOM 342 CG ARG A 21 142.183 -2.976 5.184 1.00 0.00 C ATOM 343 CD ARG A 21 142.327 -2.750 6.681 1.00 0.00 C ATOM 344 NE ARG A 21 141.657 -1.526 7.121 1.00 0.00 N ATOM 345 CZ ARG A 21 141.274 -1.295 8.380 1.00 0.00 C ATOM 346 NH1 ARG A 21 141.495 -2.200 9.330 1.00 0.00 N ATOM 347 NH2 ARG A 21 140.670 -0.155 8.691 1.00 0.00 N ATOM 0 H ARG A 21 140.367 -3.799 2.505 1.00 0.00 H new ATOM 0 HA ARG A 21 142.583 -5.102 3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 21 140.198 -3.473 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 21 140.848 -4.535 5.790 1.00 0.00 H new ATOM 0 HG2 ARG A 21 143.133 -3.318 4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 21 141.945 -2.032 4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 21 141.911 -3.603 7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 21 143.385 -2.696 6.939 1.00 0.00 H new ATOM 0 HE ARG A 21 141.471 -0.805 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 21 141.960 -3.078 9.100 1.00 0.00 H new ATOM 0 HH12 ARG A 21 141.199 -2.016 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 21 140.498 0.545 7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 21 140.378 0.022 9.652 1.00 0.00 H new ATOM 361 N PRO A 22 141.509 -7.109 5.080 1.00 0.00 N ATOM 362 CA PRO A 22 142.700 -6.651 5.809 1.00 0.00 C ATOM 363 C PRO A 22 143.966 -6.703 4.955 1.00 0.00 C ATOM 364 O PRO A 22 144.264 -7.723 4.330 1.00 0.00 O ATOM 365 CB PRO A 22 142.800 -7.638 6.973 1.00 0.00 C ATOM 366 CG PRO A 22 142.160 -8.884 6.467 1.00 0.00 C ATOM 367 CD PRO A 22 141.073 -8.446 5.522 1.00 0.00 C ATOM 0 HA PRO A 22 142.612 -5.609 6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 22 143.838 -7.813 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 22 142.287 -7.260 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 22 142.888 -9.516 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 22 141.748 -9.471 7.288 1.00 0.00 H new ATOM 0 HD2 PRO A 22 140.973 -9.132 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 22 140.103 -8.407 6.018 1.00 0.00 H new ATOM 375 N VAL A 23 144.709 -5.597 4.937 1.00 0.00 N ATOM 376 CA VAL A 23 145.944 -5.514 4.162 1.00 0.00 C ATOM 377 C VAL A 23 147.049 -6.360 4.798 1.00 0.00 C ATOM 378 O VAL A 23 147.367 -6.203 5.978 1.00 0.00 O ATOM 379 CB VAL A 23 146.422 -4.049 4.012 1.00 0.00 C ATOM 380 CG1 VAL A 23 146.743 -3.436 5.368 1.00 0.00 C ATOM 381 CG2 VAL A 23 147.626 -3.966 3.082 1.00 0.00 C ATOM 0 H VAL A 23 144.476 -4.747 5.450 1.00 0.00 H new ATOM 0 HA VAL A 23 145.727 -5.907 3.169 1.00 0.00 H new ATOM 0 HB VAL A 23 145.609 -3.474 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 23 147.076 -2.407 5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 23 145.851 -3.449 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 23 147.533 -4.012 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 23 147.945 -2.928 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 23 148.442 -4.562 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 23 147.353 -4.349 2.099 1.00 0.00 H new ATOM 391 N LYS A 24 147.621 -7.264 4.006 1.00 0.00 N ATOM 392 CA LYS A 24 148.684 -8.144 4.481 1.00 0.00 C ATOM 393 C LYS A 24 150.049 -7.659 4.000 1.00 0.00 C ATOM 394 O LYS A 24 150.202 -7.261 2.844 1.00 0.00 O ATOM 395 CB LYS A 24 148.438 -9.576 3.994 1.00 0.00 C ATOM 396 CG LYS A 24 148.262 -10.585 5.118 1.00 0.00 C ATOM 397 CD LYS A 24 146.819 -11.053 5.224 1.00 0.00 C ATOM 398 CE LYS A 24 146.712 -12.369 5.979 1.00 0.00 C ATOM 399 NZ LYS A 24 145.718 -13.291 5.359 1.00 0.00 N ATOM 0 H LYS A 24 147.364 -7.406 3.029 1.00 0.00 H new ATOM 0 HA LYS A 24 148.678 -8.128 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 24 147.548 -9.588 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 24 149.275 -9.886 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 24 148.912 -11.442 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 24 148.571 -10.137 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 146.225 -10.292 5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 24 146.400 -11.171 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 24 147.688 -12.853 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 24 146.428 -12.172 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 145.677 -14.175 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 144.780 -12.841 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 146.002 -13.501 4.381 1.00 0.00 H new ATOM 413 N TYR A 25 151.041 -7.706 4.892 1.00 0.00 N ATOM 414 CA TYR A 25 152.401 -7.281 4.556 1.00 0.00 C ATOM 415 C TYR A 25 152.923 -8.048 3.343 1.00 0.00 C ATOM 416 O TYR A 25 153.503 -7.460 2.429 1.00 0.00 O ATOM 417 CB TYR A 25 153.339 -7.490 5.752 1.00 0.00 C ATOM 418 CG TYR A 25 154.760 -7.026 5.505 1.00 0.00 C ATOM 419 CD1 TYR A 25 155.707 -7.880 4.949 1.00 0.00 C ATOM 420 CD2 TYR A 25 155.154 -5.734 5.829 1.00 0.00 C ATOM 421 CE1 TYR A 25 157.003 -7.458 4.722 1.00 0.00 C ATOM 422 CE2 TYR A 25 156.448 -5.304 5.604 1.00 0.00 C ATOM 423 CZ TYR A 25 157.369 -6.169 5.051 1.00 0.00 C ATOM 424 OH TYR A 25 158.659 -5.745 4.825 1.00 0.00 O ATOM 0 H TYR A 25 150.928 -8.034 5.851 1.00 0.00 H new ATOM 0 HA TYR A 25 152.373 -6.219 4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 25 152.938 -6.957 6.614 1.00 0.00 H new ATOM 0 HB3 TYR A 25 153.352 -8.549 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 25 155.424 -8.890 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 25 154.437 -5.054 6.264 1.00 0.00 H new ATOM 0 HE1 TYR A 25 157.726 -8.134 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 25 156.737 -4.295 5.860 1.00 0.00 H new ATOM 0 HH TYR A 25 158.752 -4.812 5.111 1.00 0.00 H new ATOM 434 N GLU A 26 152.707 -9.365 3.340 1.00 0.00 N ATOM 435 CA GLU A 26 153.152 -10.213 2.236 1.00 0.00 C ATOM 436 C GLU A 26 152.430 -9.850 0.941 1.00 0.00 C ATOM 437 O GLU A 26 153.036 -9.836 -0.128 1.00 0.00 O ATOM 438 CB GLU A 26 152.917 -11.692 2.562 1.00 0.00 C ATOM 439 CG GLU A 26 154.103 -12.583 2.224 1.00 0.00 C ATOM 440 CD GLU A 26 153.838 -13.489 1.036 1.00 0.00 C ATOM 441 OE1 GLU A 26 153.613 -12.964 -0.076 1.00 0.00 O ATOM 442 OE2 GLU A 26 153.858 -14.725 1.217 1.00 0.00 O ATOM 0 H GLU A 26 152.228 -9.865 4.089 1.00 0.00 H new ATOM 0 HA GLU A 26 154.220 -10.044 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 26 152.689 -11.790 3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 26 152.042 -12.042 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 26 154.972 -11.959 2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 26 154.352 -13.193 3.092 1.00 0.00 H new ATOM 449 N ASP A 27 151.133 -9.556 1.043 1.00 0.00 N ATOM 450 CA ASP A 27 150.333 -9.194 -0.126 1.00 0.00 C ATOM 451 C ASP A 27 150.842 -7.903 -0.762 1.00 0.00 C ATOM 452 O ASP A 27 150.968 -7.812 -1.984 1.00 0.00 O ATOM 453 CB ASP A 27 148.856 -9.042 0.258 1.00 0.00 C ATOM 454 CG ASP A 27 148.000 -10.180 -0.266 1.00 0.00 C ATOM 455 OD1 ASP A 27 148.364 -11.352 -0.036 1.00 0.00 O ATOM 456 OD2 ASP A 27 146.964 -9.897 -0.904 1.00 0.00 O ATOM 0 H ASP A 27 150.616 -9.562 1.922 1.00 0.00 H new ATOM 0 HA ASP A 27 150.428 -9.998 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 27 148.769 -8.996 1.344 1.00 0.00 H new ATOM 0 HB3 ASP A 27 148.478 -8.097 -0.132 1.00 0.00 H new ATOM 461 N VAL A 28 151.136 -6.908 0.073 1.00 0.00 N ATOM 462 CA VAL A 28 151.635 -5.626 -0.415 1.00 0.00 C ATOM 463 C VAL A 28 153.037 -5.776 -1.005 1.00 0.00 C ATOM 464 O VAL A 28 153.307 -5.303 -2.110 1.00 0.00 O ATOM 465 CB VAL A 28 151.665 -4.559 0.702 1.00 0.00 C ATOM 466 CG1 VAL A 28 152.089 -3.209 0.141 1.00 0.00 C ATOM 467 CG2 VAL A 28 150.309 -4.452 1.390 1.00 0.00 C ATOM 0 H VAL A 28 151.037 -6.965 1.087 1.00 0.00 H new ATOM 0 HA VAL A 28 150.946 -5.295 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 28 152.398 -4.869 1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 28 152.104 -2.470 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 28 153.085 -3.292 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 28 151.382 -2.896 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 28 150.357 -3.694 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 28 149.551 -4.171 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 28 150.048 -5.414 1.832 1.00 0.00 H new ATOM 477 N GLU A 29 153.923 -6.442 -0.264 1.00 0.00 N ATOM 478 CA GLU A 29 155.296 -6.659 -0.714 1.00 0.00 C ATOM 479 C GLU A 29 155.333 -7.534 -1.964 1.00 0.00 C ATOM 480 O GLU A 29 156.124 -7.291 -2.873 1.00 0.00 O ATOM 481 CB GLU A 29 156.128 -7.300 0.400 1.00 0.00 C ATOM 482 CG GLU A 29 157.197 -6.380 0.966 1.00 0.00 C ATOM 483 CD GLU A 29 158.592 -6.753 0.502 1.00 0.00 C ATOM 484 OE1 GLU A 29 159.178 -7.690 1.083 1.00 0.00 O ATOM 485 OE2 GLU A 29 159.095 -6.111 -0.444 1.00 0.00 O ATOM 0 H GLU A 29 153.713 -6.840 0.651 1.00 0.00 H new ATOM 0 HA GLU A 29 155.724 -5.688 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 29 155.463 -7.610 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 29 156.603 -8.202 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 29 156.982 -5.353 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 29 157.159 -6.412 2.055 1.00 0.00 H new ATOM 492 N HIS A 30 154.471 -8.548 -2.006 1.00 0.00 N ATOM 493 CA HIS A 30 154.406 -9.454 -3.151 1.00 0.00 C ATOM 494 C HIS A 30 154.115 -8.684 -4.442 1.00 0.00 C ATOM 495 O HIS A 30 154.685 -8.981 -5.491 1.00 0.00 O ATOM 496 CB HIS A 30 153.336 -10.525 -2.915 1.00 0.00 C ATOM 497 CG HIS A 30 153.246 -11.543 -4.008 1.00 0.00 C ATOM 498 ND1 HIS A 30 152.178 -11.621 -4.877 1.00 0.00 N ATOM 499 CD2 HIS A 30 154.094 -12.536 -4.367 1.00 0.00 C ATOM 500 CE1 HIS A 30 152.371 -12.619 -5.720 1.00 0.00 C ATOM 501 NE2 HIS A 30 153.527 -13.190 -5.432 1.00 0.00 N ATOM 0 H HIS A 30 153.808 -8.763 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 30 155.375 -9.941 -3.259 1.00 0.00 H new ATOM 0 HB2 HIS A 30 153.546 -11.034 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 30 152.367 -10.038 -2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 30 155.040 -12.770 -3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 30 151.698 -12.918 -6.510 1.00 0.00 H new ATOM 0 HE2 HIS A 30 153.932 -13.988 -5.922 1.00 0.00 H new ATOM 510 N LYS A 31 153.235 -7.686 -4.352 1.00 0.00 N ATOM 511 CA LYS A 31 152.880 -6.868 -5.510 1.00 0.00 C ATOM 512 C LYS A 31 154.052 -5.985 -5.939 1.00 0.00 C ATOM 513 O LYS A 31 154.387 -5.921 -7.121 1.00 0.00 O ATOM 514 CB LYS A 31 151.655 -6.001 -5.197 1.00 0.00 C ATOM 515 CG LYS A 31 150.700 -5.856 -6.371 1.00 0.00 C ATOM 516 CD LYS A 31 149.478 -6.749 -6.212 1.00 0.00 C ATOM 517 CE LYS A 31 148.391 -6.388 -7.214 1.00 0.00 C ATOM 518 NZ LYS A 31 147.037 -6.804 -6.749 1.00 0.00 N ATOM 0 H LYS A 31 152.756 -7.426 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 31 152.638 -7.539 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 31 151.118 -6.435 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 31 151.990 -5.011 -4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 150.383 -4.817 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 31 151.218 -6.109 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 31 149.767 -7.791 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 31 149.087 -6.655 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 31 148.400 -5.312 -7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 31 148.607 -6.865 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 146.410 -6.923 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 147.108 -7.705 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 146.647 -6.075 -6.118 1.00 0.00 H new ATOM 532 N VAL A 32 154.673 -5.309 -4.974 1.00 0.00 N ATOM 533 CA VAL A 32 155.808 -4.433 -5.260 1.00 0.00 C ATOM 534 C VAL A 32 157.034 -5.232 -5.704 1.00 0.00 C ATOM 535 O VAL A 32 157.719 -4.855 -6.656 1.00 0.00 O ATOM 536 CB VAL A 32 156.185 -3.567 -4.040 1.00 0.00 C ATOM 537 CG1 VAL A 32 157.256 -2.554 -4.416 1.00 0.00 C ATOM 538 CG2 VAL A 32 154.955 -2.868 -3.475 1.00 0.00 C ATOM 0 H VAL A 32 154.410 -5.351 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 32 155.493 -3.779 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 32 156.588 -4.220 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 32 157.510 -1.952 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 32 158.145 -3.078 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 32 156.881 -1.905 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 32 155.243 -2.263 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 32 154.517 -2.227 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 32 154.223 -3.614 -3.165 1.00 0.00 H new ATOM 548 N THR A 33 157.306 -6.337 -5.010 1.00 0.00 N ATOM 549 CA THR A 33 158.449 -7.189 -5.331 1.00 0.00 C ATOM 550 C THR A 33 158.344 -7.738 -6.755 1.00 0.00 C ATOM 551 O THR A 33 159.347 -7.837 -7.457 1.00 0.00 O ATOM 552 CB THR A 33 158.567 -8.340 -4.323 1.00 0.00 C ATOM 553 OG1 THR A 33 158.718 -7.842 -3.004 1.00 0.00 O ATOM 554 CG2 THR A 33 159.735 -9.266 -4.592 1.00 0.00 C ATOM 0 H THR A 33 156.749 -6.663 -4.220 1.00 0.00 H new ATOM 0 HA THR A 33 159.349 -6.577 -5.268 1.00 0.00 H new ATOM 0 HB THR A 33 157.642 -8.906 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 33 157.835 -7.658 -2.621 1.00 0.00 H new ATOM 0 HG21 THR A 33 159.755 -10.055 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 33 159.626 -9.711 -5.581 1.00 0.00 H new ATOM 0 HG23 THR A 33 160.666 -8.700 -4.549 1.00 0.00 H new ATOM 562 N THR A 34 157.129 -8.095 -7.177 1.00 0.00 N ATOM 563 CA THR A 34 156.915 -8.632 -8.522 1.00 0.00 C ATOM 564 C THR A 34 157.070 -7.545 -9.591 1.00 0.00 C ATOM 565 O THR A 34 157.691 -7.778 -10.629 1.00 0.00 O ATOM 566 CB THR A 34 155.532 -9.289 -8.635 1.00 0.00 C ATOM 567 OG1 THR A 34 155.394 -10.339 -7.693 1.00 0.00 O ATOM 568 CG2 THR A 34 155.250 -9.870 -10.006 1.00 0.00 C ATOM 0 H THR A 34 156.284 -8.023 -6.611 1.00 0.00 H new ATOM 0 HA THR A 34 157.679 -9.390 -8.695 1.00 0.00 H new ATOM 0 HB THR A 34 154.820 -8.486 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 34 154.924 -10.007 -6.900 1.00 0.00 H new ATOM 0 HG21 THR A 34 154.256 -10.318 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 155.297 -9.078 -10.753 1.00 0.00 H new ATOM 0 HG23 THR A 34 155.993 -10.633 -10.238 1.00 0.00 H new ATOM 576 N VAL A 35 156.498 -6.364 -9.344 1.00 0.00 N ATOM 577 CA VAL A 35 156.579 -5.263 -10.308 1.00 0.00 C ATOM 578 C VAL A 35 158.024 -4.809 -10.517 1.00 0.00 C ATOM 579 O VAL A 35 158.487 -4.698 -11.653 1.00 0.00 O ATOM 580 CB VAL A 35 155.728 -4.049 -9.875 1.00 0.00 C ATOM 581 CG1 VAL A 35 155.774 -2.957 -10.937 1.00 0.00 C ATOM 582 CG2 VAL A 35 154.289 -4.465 -9.597 1.00 0.00 C ATOM 0 H VAL A 35 155.979 -6.146 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 35 156.182 -5.651 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 35 156.150 -3.651 -8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 35 155.169 -2.110 -10.614 1.00 0.00 H new ATOM 0 HG12 VAL A 35 156.805 -2.633 -11.081 1.00 0.00 H new ATOM 0 HG13 VAL A 35 155.382 -3.346 -11.876 1.00 0.00 H new ATOM 0 HG21 VAL A 35 153.710 -3.593 -9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 35 153.853 -4.894 -10.499 1.00 0.00 H new ATOM 0 HG23 VAL A 35 154.272 -5.207 -8.798 1.00 0.00 H new ATOM 592 N PHE A 36 158.732 -4.541 -9.418 1.00 0.00 N ATOM 593 CA PHE A 36 160.127 -4.096 -9.492 1.00 0.00 C ATOM 594 C PHE A 36 161.098 -5.272 -9.632 1.00 0.00 C ATOM 595 O PHE A 36 162.246 -5.085 -10.039 1.00 0.00 O ATOM 596 CB PHE A 36 160.489 -3.270 -8.255 1.00 0.00 C ATOM 597 CG PHE A 36 159.740 -1.972 -8.166 1.00 0.00 C ATOM 598 CD1 PHE A 36 160.176 -0.857 -8.863 1.00 0.00 C ATOM 599 CD2 PHE A 36 158.596 -1.869 -7.392 1.00 0.00 C ATOM 600 CE1 PHE A 36 159.486 0.337 -8.787 1.00 0.00 C ATOM 601 CE2 PHE A 36 157.902 -0.679 -7.313 1.00 0.00 C ATOM 602 CZ PHE A 36 158.347 0.425 -8.010 1.00 0.00 C ATOM 0 H PHE A 36 158.365 -4.624 -8.470 1.00 0.00 H new ATOM 0 HA PHE A 36 160.221 -3.477 -10.384 1.00 0.00 H new ATOM 0 HB2 PHE A 36 160.287 -3.860 -7.361 1.00 0.00 H new ATOM 0 HB3 PHE A 36 161.559 -3.064 -8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 36 161.065 -0.922 -9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 36 158.243 -2.730 -6.844 1.00 0.00 H new ATOM 0 HE1 PHE A 36 159.836 1.200 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 36 157.011 -0.612 -6.706 1.00 0.00 H new ATOM 0 HZ PHE A 36 157.806 1.357 -7.948 1.00 0.00 H new ATOM 612 N GLY A 37 160.640 -6.477 -9.288 1.00 0.00 N ATOM 613 CA GLY A 37 161.487 -7.656 -9.379 1.00 0.00 C ATOM 614 C GLY A 37 162.614 -7.661 -8.355 1.00 0.00 C ATOM 615 O GLY A 37 163.616 -8.355 -8.538 1.00 0.00 O ATOM 0 H GLY A 37 159.695 -6.656 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 37 160.875 -8.547 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 37 161.913 -7.713 -10.380 1.00 0.00 H new ATOM 619 N GLN A 38 162.455 -6.889 -7.276 1.00 0.00 N ATOM 620 CA GLN A 38 163.471 -6.811 -6.227 1.00 0.00 C ATOM 621 C GLN A 38 162.831 -6.532 -4.866 1.00 0.00 C ATOM 622 O GLN A 38 161.775 -5.903 -4.789 1.00 0.00 O ATOM 623 CB GLN A 38 164.485 -5.709 -6.551 1.00 0.00 C ATOM 624 CG GLN A 38 165.394 -6.028 -7.729 1.00 0.00 C ATOM 625 CD GLN A 38 166.127 -4.803 -8.242 1.00 0.00 C ATOM 626 OE1 GLN A 38 166.007 -4.440 -9.412 1.00 0.00 O ATOM 627 NE2 GLN A 38 166.892 -4.157 -7.367 1.00 0.00 N ATOM 0 H GLN A 38 161.632 -6.310 -7.108 1.00 0.00 H new ATOM 0 HA GLN A 38 163.983 -7.772 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 38 163.946 -4.785 -6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 38 165.100 -5.526 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 38 166.120 -6.784 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 38 164.801 -6.458 -8.536 1.00 0.00 H new ATOM 0 HE21 GLN A 38 166.963 -4.492 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 38 167.408 -3.326 -7.656 1.00 0.00 H new ATOM 636 N PRO A 39 163.469 -6.989 -3.771 1.00 0.00 N ATOM 637 CA PRO A 39 162.960 -6.776 -2.413 1.00 0.00 C ATOM 638 C PRO A 39 163.182 -5.340 -1.933 1.00 0.00 C ATOM 639 O PRO A 39 164.256 -5.003 -1.427 1.00 0.00 O ATOM 640 CB PRO A 39 163.776 -7.762 -1.574 1.00 0.00 C ATOM 641 CG PRO A 39 165.063 -7.910 -2.311 1.00 0.00 C ATOM 642 CD PRO A 39 164.739 -7.745 -3.773 1.00 0.00 C ATOM 0 HA PRO A 39 161.883 -6.932 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 39 163.939 -7.383 -0.565 1.00 0.00 H new ATOM 0 HB3 PRO A 39 163.263 -8.719 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 39 165.785 -7.160 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 39 165.510 -8.886 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 39 165.526 -7.203 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 39 164.630 -8.709 -4.270 1.00 0.00 H new ATOM 650 N LEU A 40 162.164 -4.498 -2.103 1.00 0.00 N ATOM 651 CA LEU A 40 162.250 -3.098 -1.693 1.00 0.00 C ATOM 652 C LEU A 40 161.700 -2.900 -0.280 1.00 0.00 C ATOM 653 O LEU A 40 160.745 -3.567 0.125 1.00 0.00 O ATOM 654 CB LEU A 40 161.492 -2.206 -2.681 1.00 0.00 C ATOM 655 CG LEU A 40 162.237 -1.905 -3.984 1.00 0.00 C ATOM 656 CD1 LEU A 40 162.017 -3.013 -5.002 1.00 0.00 C ATOM 657 CD2 LEU A 40 161.795 -0.566 -4.551 1.00 0.00 C ATOM 0 H LEU A 40 161.271 -4.761 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 40 163.302 -2.814 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 40 160.543 -2.684 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 40 161.256 -1.263 -2.189 1.00 0.00 H new ATOM 0 HG LEU A 40 163.303 -1.854 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 40 162.556 -2.777 -5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 162.384 -3.956 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 40 160.953 -3.101 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 162.334 -0.367 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 160.724 -0.592 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 40 162.009 0.223 -3.830 1.00 0.00 H new ATOM 669 N ASP A 41 162.310 -1.974 0.463 1.00 0.00 N ATOM 670 CA ASP A 41 161.890 -1.676 1.832 1.00 0.00 C ATOM 671 C ASP A 41 160.867 -0.542 1.849 1.00 0.00 C ATOM 672 O ASP A 41 161.079 0.501 1.231 1.00 0.00 O ATOM 673 CB ASP A 41 163.103 -1.294 2.692 1.00 0.00 C ATOM 674 CG ASP A 41 163.039 -1.859 4.106 1.00 0.00 C ATOM 675 OD1 ASP A 41 162.078 -2.594 4.421 1.00 0.00 O ATOM 676 OD2 ASP A 41 163.953 -1.558 4.902 1.00 0.00 O ATOM 0 H ASP A 41 163.099 -1.416 0.137 1.00 0.00 H new ATOM 0 HA ASP A 41 161.427 -2.571 2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 41 164.011 -1.650 2.206 1.00 0.00 H new ATOM 0 HB3 ASP A 41 163.175 -0.208 2.745 1.00 0.00 H new ATOM 681 N LEU A 42 159.759 -0.752 2.561 1.00 0.00 N ATOM 682 CA LEU A 42 158.704 0.258 2.657 1.00 0.00 C ATOM 683 C LEU A 42 158.943 1.187 3.849 1.00 0.00 C ATOM 684 O LEU A 42 158.694 0.816 4.999 1.00 0.00 O ATOM 685 CB LEU A 42 157.331 -0.414 2.778 1.00 0.00 C ATOM 686 CG LEU A 42 156.830 -1.112 1.508 1.00 0.00 C ATOM 687 CD1 LEU A 42 157.135 -2.603 1.560 1.00 0.00 C ATOM 688 CD2 LEU A 42 155.337 -0.876 1.322 1.00 0.00 C ATOM 0 H LEU A 42 159.569 -1.610 3.079 1.00 0.00 H new ATOM 0 HA LEU A 42 158.725 0.857 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 42 157.373 -1.147 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 42 156.600 0.340 3.071 1.00 0.00 H new ATOM 0 HG LEU A 42 157.354 -0.686 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 42 156.772 -3.081 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 158.212 -2.751 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 42 156.640 -3.046 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 42 154.999 -1.379 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 154.796 -1.274 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 42 155.146 0.194 1.236 1.00 0.00 H new ATOM 700 N HIS A 43 159.431 2.395 3.564 1.00 0.00 N ATOM 701 CA HIS A 43 159.711 3.383 4.607 1.00 0.00 C ATOM 702 C HIS A 43 158.531 4.337 4.796 1.00 0.00 C ATOM 703 O HIS A 43 158.139 5.043 3.866 1.00 0.00 O ATOM 704 CB HIS A 43 160.967 4.184 4.252 1.00 0.00 C ATOM 705 CG HIS A 43 162.213 3.675 4.906 1.00 0.00 C ATOM 706 ND1 HIS A 43 162.477 3.833 6.250 1.00 0.00 N ATOM 707 CD2 HIS A 43 163.279 3.017 4.389 1.00 0.00 C ATOM 708 CE1 HIS A 43 163.651 3.296 6.532 1.00 0.00 C ATOM 709 NE2 HIS A 43 164.156 2.794 5.420 1.00 0.00 N ATOM 0 H HIS A 43 159.641 2.713 2.618 1.00 0.00 H new ATOM 0 HA HIS A 43 159.874 2.846 5.541 1.00 0.00 H new ATOM 0 HB2 HIS A 43 161.103 4.168 3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 43 160.816 5.225 4.539 1.00 0.00 H new ATOM 0 HD2 HIS A 43 163.413 2.723 3.358 1.00 0.00 H new ATOM 0 HE1 HIS A 43 164.118 3.272 7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 43 165.054 2.317 5.340 1.00 0.00 H new ATOM 718 N TYR A 44 157.976 4.359 6.008 1.00 0.00 N ATOM 719 CA TYR A 44 156.851 5.231 6.323 1.00 0.00 C ATOM 720 C TYR A 44 157.334 6.491 7.044 1.00 0.00 C ATOM 721 O TYR A 44 157.938 6.411 8.114 1.00 0.00 O ATOM 722 CB TYR A 44 155.830 4.478 7.187 1.00 0.00 C ATOM 723 CG TYR A 44 154.749 5.359 7.778 1.00 0.00 C ATOM 724 CD1 TYR A 44 154.979 6.080 8.942 1.00 0.00 C ATOM 725 CD2 TYR A 44 153.503 5.466 7.174 1.00 0.00 C ATOM 726 CE1 TYR A 44 153.997 6.886 9.489 1.00 0.00 C ATOM 727 CE2 TYR A 44 152.516 6.269 7.713 1.00 0.00 C ATOM 728 CZ TYR A 44 152.767 6.977 8.871 1.00 0.00 C ATOM 729 OH TYR A 44 151.787 7.780 9.410 1.00 0.00 O ATOM 0 H TYR A 44 158.290 3.781 6.787 1.00 0.00 H new ATOM 0 HA TYR A 44 156.371 5.533 5.392 1.00 0.00 H new ATOM 0 HB2 TYR A 44 155.361 3.702 6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 44 156.357 3.975 7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 44 155.941 6.010 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 44 153.302 4.913 6.268 1.00 0.00 H new ATOM 0 HE1 TYR A 44 154.192 7.441 10.395 1.00 0.00 H new ATOM 0 HE2 TYR A 44 151.553 6.342 7.230 1.00 0.00 H new ATOM 0 HH TYR A 44 150.982 7.733 8.853 1.00 0.00 H new ATOM 739 N MET A 45 157.063 7.652 6.450 1.00 0.00 N ATOM 740 CA MET A 45 157.467 8.930 7.034 1.00 0.00 C ATOM 741 C MET A 45 156.243 9.778 7.375 1.00 0.00 C ATOM 742 O MET A 45 155.362 9.972 6.536 1.00 0.00 O ATOM 743 CB MET A 45 158.378 9.693 6.068 1.00 0.00 C ATOM 744 CG MET A 45 159.695 8.987 5.780 1.00 0.00 C ATOM 745 SD MET A 45 161.127 9.939 6.326 1.00 0.00 S ATOM 746 CE MET A 45 161.922 10.293 4.760 1.00 0.00 C ATOM 0 H MET A 45 156.565 7.734 5.564 1.00 0.00 H new ATOM 0 HA MET A 45 158.017 8.726 7.953 1.00 0.00 H new ATOM 0 HB2 MET A 45 157.847 9.849 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 45 158.588 10.679 6.483 1.00 0.00 H new ATOM 0 HG2 MET A 45 159.698 8.016 6.276 1.00 0.00 H new ATOM 0 HG3 MET A 45 159.775 8.799 4.709 1.00 0.00 H new ATOM 0 HE1 MET A 45 162.825 10.878 4.934 1.00 0.00 H new ATOM 0 HE2 MET A 45 162.185 9.358 4.266 1.00 0.00 H new ATOM 0 HE3 MET A 45 161.240 10.859 4.126 1.00 0.00 H new ATOM 756 N ASN A 46 156.197 10.285 8.608 1.00 0.00 N ATOM 757 CA ASN A 46 155.078 11.116 9.051 1.00 0.00 C ATOM 758 C ASN A 46 155.356 12.591 8.771 1.00 0.00 C ATOM 759 O ASN A 46 154.531 13.286 8.177 1.00 0.00 O ATOM 760 CB ASN A 46 154.815 10.906 10.546 1.00 0.00 C ATOM 761 CG ASN A 46 153.346 11.052 10.905 1.00 0.00 C ATOM 762 OD1 ASN A 46 152.583 11.706 10.194 1.00 0.00 O ATOM 763 ND2 ASN A 46 152.942 10.447 12.017 1.00 0.00 N ATOM 0 H ASN A 46 156.918 10.135 9.314 1.00 0.00 H new ATOM 0 HA ASN A 46 154.191 10.818 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 46 155.160 9.913 10.836 1.00 0.00 H new ATOM 0 HB3 ASN A 46 155.399 11.626 11.119 1.00 0.00 H new ATOM 0 HD21 ASN A 46 151.967 10.515 12.309 1.00 0.00 H new ATOM 0 HD22 ASN A 46 153.607 9.914 12.578 1.00 0.00 H new ATOM 770 N ASN A 47 156.529 13.056 9.200 1.00 0.00 N ATOM 771 CA ASN A 47 156.937 14.443 8.997 1.00 0.00 C ATOM 772 C ASN A 47 158.395 14.637 9.412 1.00 0.00 C ATOM 773 O ASN A 47 159.249 14.953 8.583 1.00 0.00 O ATOM 774 CB ASN A 47 156.032 15.398 9.785 1.00 0.00 C ATOM 775 CG ASN A 47 156.250 16.848 9.397 1.00 0.00 C ATOM 776 OD1 ASN A 47 155.673 17.336 8.426 1.00 0.00 O ATOM 777 ND2 ASN A 47 157.088 17.546 10.156 1.00 0.00 N ATOM 0 H ASN A 47 157.217 12.487 9.693 1.00 0.00 H new ATOM 0 HA ASN A 47 156.840 14.673 7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 47 154.989 15.131 9.614 1.00 0.00 H new ATOM 0 HB3 ASN A 47 156.221 15.277 10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 47 157.274 18.526 9.942 1.00 0.00 H new ATOM 0 HD22 ASN A 47 157.545 17.102 10.952 1.00 0.00 H new ATOM 784 N GLU A 48 158.669 14.436 10.701 1.00 0.00 N ATOM 785 CA GLU A 48 160.020 14.577 11.236 1.00 0.00 C ATOM 786 C GLU A 48 160.616 13.217 11.615 1.00 0.00 C ATOM 787 O GLU A 48 161.837 13.049 11.617 1.00 0.00 O ATOM 788 CB GLU A 48 160.012 15.498 12.460 1.00 0.00 C ATOM 789 CG GLU A 48 160.331 16.949 12.135 1.00 0.00 C ATOM 790 CD GLU A 48 160.767 17.741 13.354 1.00 0.00 C ATOM 791 OE1 GLU A 48 160.060 17.689 14.383 1.00 0.00 O ATOM 792 OE2 GLU A 48 161.816 18.416 13.279 1.00 0.00 O ATOM 0 H GLU A 48 157.969 14.174 11.395 1.00 0.00 H new ATOM 0 HA GLU A 48 160.642 15.016 10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 48 159.032 15.448 12.935 1.00 0.00 H new ATOM 0 HB3 GLU A 48 160.737 15.130 13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 48 161.120 16.984 11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 48 159.452 17.420 11.696 1.00 0.00 H new ATOM 799 N LEU A 49 159.752 12.251 11.942 1.00 0.00 N ATOM 800 CA LEU A 49 160.204 10.916 12.327 1.00 0.00 C ATOM 801 C LEU A 49 159.966 9.906 11.207 1.00 0.00 C ATOM 802 O LEU A 49 158.920 9.924 10.553 1.00 0.00 O ATOM 803 CB LEU A 49 159.485 10.459 13.601 1.00 0.00 C ATOM 804 CG LEU A 49 160.294 9.524 14.505 1.00 0.00 C ATOM 805 CD1 LEU A 49 160.003 9.813 15.971 1.00 0.00 C ATOM 806 CD2 LEU A 49 159.993 8.068 14.175 1.00 0.00 C ATOM 0 H LEU A 49 158.739 12.371 11.947 1.00 0.00 H new ATOM 0 HA LEU A 49 161.276 10.969 12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 49 159.203 11.341 14.176 1.00 0.00 H new ATOM 0 HB3 LEU A 49 158.561 9.955 13.317 1.00 0.00 H new ATOM 0 HG LEU A 49 161.354 9.704 14.325 1.00 0.00 H new ATOM 0 HD11 LEU A 49 160.587 9.139 16.598 1.00 0.00 H new ATOM 0 HD12 LEU A 49 160.272 10.844 16.199 1.00 0.00 H new ATOM 0 HD13 LEU A 49 158.941 9.663 16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 49 160.577 7.419 14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 49 158.931 7.873 14.325 1.00 0.00 H new ATOM 0 HD23 LEU A 49 160.255 7.869 13.136 1.00 0.00 H new ATOM 818 N SER A 50 160.943 9.023 11.000 1.00 0.00 N ATOM 819 CA SER A 50 160.848 7.995 9.967 1.00 0.00 C ATOM 820 C SER A 50 160.694 6.610 10.590 1.00 0.00 C ATOM 821 O SER A 50 161.465 6.228 11.473 1.00 0.00 O ATOM 822 CB SER A 50 162.088 8.022 9.068 1.00 0.00 C ATOM 823 OG SER A 50 161.899 7.221 7.915 1.00 0.00 O ATOM 0 H SER A 50 161.811 9.000 11.536 1.00 0.00 H new ATOM 0 HA SER A 50 159.965 8.207 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 50 162.303 9.048 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 50 162.953 7.664 9.626 1.00 0.00 H new ATOM 0 HG SER A 50 161.659 7.792 7.156 1.00 0.00 H new ATOM 829 N ILE A 51 159.696 5.863 10.122 1.00 0.00 N ATOM 830 CA ILE A 51 159.439 4.517 10.626 1.00 0.00 C ATOM 831 C ILE A 51 159.545 3.486 9.501 1.00 0.00 C ATOM 832 O ILE A 51 159.005 3.685 8.412 1.00 0.00 O ATOM 833 CB ILE A 51 158.043 4.415 11.283 1.00 0.00 C ATOM 834 CG1 ILE A 51 157.842 5.544 12.303 1.00 0.00 C ATOM 835 CG2 ILE A 51 157.864 3.057 11.951 1.00 0.00 C ATOM 836 CD1 ILE A 51 156.428 6.085 12.340 1.00 0.00 C ATOM 0 H ILE A 51 159.051 6.169 9.393 1.00 0.00 H new ATOM 0 HA ILE A 51 160.196 4.307 11.381 1.00 0.00 H new ATOM 0 HB ILE A 51 157.289 4.518 10.502 1.00 0.00 H new ATOM 0 HG12 ILE A 51 158.108 5.178 13.295 1.00 0.00 H new ATOM 0 HG13 ILE A 51 158.528 6.359 12.070 1.00 0.00 H new ATOM 0 HG21 ILE A 51 156.876 3.004 12.408 1.00 0.00 H new ATOM 0 HG22 ILE A 51 157.962 2.269 11.205 1.00 0.00 H new ATOM 0 HG23 ILE A 51 158.626 2.926 12.719 1.00 0.00 H new ATOM 0 HD11 ILE A 51 156.362 6.879 13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 51 156.165 6.482 11.360 1.00 0.00 H new ATOM 0 HD13 ILE A 51 155.738 5.283 12.603 1.00 0.00 H new ATOM 848 N LEU A 52 160.243 2.386 9.775 1.00 0.00 N ATOM 849 CA LEU A 52 160.422 1.321 8.790 1.00 0.00 C ATOM 850 C LEU A 52 159.439 0.178 9.046 1.00 0.00 C ATOM 851 O LEU A 52 159.253 -0.246 10.187 1.00 0.00 O ATOM 852 CB LEU A 52 161.863 0.798 8.832 1.00 0.00 C ATOM 853 CG LEU A 52 162.366 0.158 7.534 1.00 0.00 C ATOM 854 CD1 LEU A 52 163.884 0.242 7.449 1.00 0.00 C ATOM 855 CD2 LEU A 52 161.906 -1.290 7.436 1.00 0.00 C ATOM 0 H LEU A 52 160.695 2.208 10.672 1.00 0.00 H new ATOM 0 HA LEU A 52 160.223 1.731 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 52 162.525 1.625 9.090 1.00 0.00 H new ATOM 0 HB3 LEU A 52 161.942 0.064 9.634 1.00 0.00 H new ATOM 0 HG LEU A 52 161.943 0.710 6.695 1.00 0.00 H new ATOM 0 HD11 LEU A 52 164.222 -0.218 6.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 164.192 1.287 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 52 164.325 -0.283 8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 52 162.274 -1.726 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 52 162.298 -1.854 8.282 1.00 0.00 H new ATOM 0 HD23 LEU A 52 160.817 -1.327 7.448 1.00 0.00 H new ATOM 867 N LEU A 53 158.811 -0.312 7.976 1.00 0.00 N ATOM 868 CA LEU A 53 157.844 -1.404 8.084 1.00 0.00 C ATOM 869 C LEU A 53 158.546 -2.737 8.342 1.00 0.00 C ATOM 870 O LEU A 53 158.851 -3.485 7.411 1.00 0.00 O ATOM 871 CB LEU A 53 156.993 -1.490 6.811 1.00 0.00 C ATOM 872 CG LEU A 53 155.716 -0.646 6.829 1.00 0.00 C ATOM 873 CD1 LEU A 53 155.168 -0.471 5.419 1.00 0.00 C ATOM 874 CD2 LEU A 53 154.673 -1.281 7.734 1.00 0.00 C ATOM 0 H LEU A 53 158.955 0.030 7.026 1.00 0.00 H new ATOM 0 HA LEU A 53 157.192 -1.195 8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 53 157.603 -1.181 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 156.720 -2.532 6.644 1.00 0.00 H new ATOM 0 HG LEU A 53 155.961 0.340 7.224 1.00 0.00 H new ATOM 0 HD11 LEU A 53 154.260 0.132 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 53 155.912 0.029 4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 53 154.939 -1.448 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 53 153.771 -0.669 7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 53 154.433 -2.279 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 53 155.066 -1.351 8.748 1.00 0.00 H new ATOM 886 N LYS A 54 158.799 -3.023 9.618 1.00 0.00 N ATOM 887 CA LYS A 54 159.464 -4.259 10.018 1.00 0.00 C ATOM 888 C LYS A 54 158.482 -5.431 10.050 1.00 0.00 C ATOM 889 O LYS A 54 158.840 -6.559 9.706 1.00 0.00 O ATOM 890 CB LYS A 54 160.115 -4.078 11.392 1.00 0.00 C ATOM 891 CG LYS A 54 160.964 -5.259 11.834 1.00 0.00 C ATOM 892 CD LYS A 54 162.287 -5.314 11.084 1.00 0.00 C ATOM 893 CE LYS A 54 163.349 -6.066 11.875 1.00 0.00 C ATOM 894 NZ LYS A 54 163.565 -7.449 11.358 1.00 0.00 N ATOM 0 H LYS A 54 158.551 -2.411 10.395 1.00 0.00 H new ATOM 0 HA LYS A 54 160.234 -4.487 9.281 1.00 0.00 H new ATOM 0 HB2 LYS A 54 160.737 -3.183 11.373 1.00 0.00 H new ATOM 0 HB3 LYS A 54 159.334 -3.907 12.133 1.00 0.00 H new ATOM 0 HG2 LYS A 54 161.155 -5.189 12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 54 160.413 -6.185 11.669 1.00 0.00 H new ATOM 0 HD2 LYS A 54 162.139 -5.800 10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 54 162.633 -4.301 10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 54 164.288 -5.514 11.834 1.00 0.00 H new ATOM 0 HE3 LYS A 54 163.053 -6.114 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 164.296 -7.922 11.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 162.676 -7.986 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 163.874 -7.404 10.366 1.00 0.00 H new ATOM 908 N ASN A 55 157.247 -5.158 10.471 1.00 0.00 N ATOM 909 CA ASN A 55 156.216 -6.192 10.553 1.00 0.00 C ATOM 910 C ASN A 55 154.818 -5.595 10.387 1.00 0.00 C ATOM 911 O ASN A 55 154.666 -4.380 10.238 1.00 0.00 O ATOM 912 CB ASN A 55 156.321 -6.933 11.890 1.00 0.00 C ATOM 913 CG ASN A 55 156.078 -8.421 11.743 1.00 0.00 C ATOM 914 OD1 ASN A 55 156.870 -9.132 11.124 1.00 0.00 O ATOM 915 ND2 ASN A 55 154.977 -8.901 12.309 1.00 0.00 N ATOM 0 H ASN A 55 156.937 -4.230 10.760 1.00 0.00 H new ATOM 0 HA ASN A 55 156.378 -6.898 9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 55 157.310 -6.769 12.317 1.00 0.00 H new ATOM 0 HB3 ASN A 55 155.598 -6.517 12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 55 154.760 -9.895 12.240 1.00 0.00 H new ATOM 0 HD22 ASN A 55 154.348 -8.275 12.813 1.00 0.00 H new ATOM 922 N GLN A 56 153.798 -6.458 10.415 1.00 0.00 N ATOM 923 CA GLN A 56 152.411 -6.015 10.270 1.00 0.00 C ATOM 924 C GLN A 56 152.041 -5.004 11.353 1.00 0.00 C ATOM 925 O GLN A 56 151.248 -4.094 11.112 1.00 0.00 O ATOM 926 CB GLN A 56 151.453 -7.210 10.321 1.00 0.00 C ATOM 927 CG GLN A 56 151.394 -7.996 9.019 1.00 0.00 C ATOM 928 CD GLN A 56 150.073 -8.717 8.820 1.00 0.00 C ATOM 929 OE1 GLN A 56 150.037 -9.939 8.670 1.00 0.00 O ATOM 930 NE2 GLN A 56 148.977 -7.964 8.812 1.00 0.00 N ATOM 0 H GLN A 56 153.908 -7.465 10.537 1.00 0.00 H new ATOM 0 HA GLN A 56 152.318 -5.530 9.298 1.00 0.00 H new ATOM 0 HB2 GLN A 56 151.760 -7.878 11.126 1.00 0.00 H new ATOM 0 HB3 GLN A 56 150.453 -6.854 10.567 1.00 0.00 H new ATOM 0 HG2 GLN A 56 151.560 -7.316 8.183 1.00 0.00 H new ATOM 0 HG3 GLN A 56 152.205 -8.724 9.004 1.00 0.00 H new ATOM 0 HE21 GLN A 56 149.051 -6.955 8.940 1.00 0.00 H new ATOM 0 HE22 GLN A 56 148.063 -8.396 8.678 1.00 0.00 H new ATOM 939 N ASP A 57 152.625 -5.163 12.544 1.00 0.00 N ATOM 940 CA ASP A 57 152.357 -4.253 13.657 1.00 0.00 C ATOM 941 C ASP A 57 152.622 -2.804 13.251 1.00 0.00 C ATOM 942 O ASP A 57 151.835 -1.909 13.564 1.00 0.00 O ATOM 943 CB ASP A 57 153.219 -4.617 14.869 1.00 0.00 C ATOM 944 CG ASP A 57 152.522 -5.582 15.808 1.00 0.00 C ATOM 945 OD1 ASP A 57 152.250 -6.727 15.389 1.00 0.00 O ATOM 946 OD2 ASP A 57 152.251 -5.193 16.964 1.00 0.00 O ATOM 0 H ASP A 57 153.284 -5.911 12.760 1.00 0.00 H new ATOM 0 HA ASP A 57 151.306 -4.354 13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 57 154.154 -5.060 14.526 1.00 0.00 H new ATOM 0 HB3 ASP A 57 153.478 -3.709 15.413 1.00 0.00 H new ATOM 951 N ASP A 58 153.732 -2.582 12.548 1.00 0.00 N ATOM 952 CA ASP A 58 154.101 -1.245 12.092 1.00 0.00 C ATOM 953 C ASP A 58 153.115 -0.743 11.040 1.00 0.00 C ATOM 954 O ASP A 58 152.731 0.427 11.044 1.00 0.00 O ATOM 955 CB ASP A 58 155.524 -1.248 11.519 1.00 0.00 C ATOM 956 CG ASP A 58 156.584 -1.459 12.585 1.00 0.00 C ATOM 957 OD1 ASP A 58 156.615 -2.554 13.185 1.00 0.00 O ATOM 958 OD2 ASP A 58 157.387 -0.530 12.814 1.00 0.00 O ATOM 0 H ASP A 58 154.392 -3.313 12.282 1.00 0.00 H new ATOM 0 HA ASP A 58 154.068 -0.572 12.949 1.00 0.00 H new ATOM 0 HB2 ASP A 58 155.608 -2.034 10.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 155.709 -0.302 11.011 1.00 0.00 H new ATOM 963 N LEU A 59 152.705 -1.637 10.143 1.00 0.00 N ATOM 964 CA LEU A 59 151.758 -1.288 9.088 1.00 0.00 C ATOM 965 C LEU A 59 150.398 -0.905 9.672 1.00 0.00 C ATOM 966 O LEU A 59 149.793 0.082 9.254 1.00 0.00 O ATOM 967 CB LEU A 59 151.595 -2.455 8.114 1.00 0.00 C ATOM 968 CG LEU A 59 150.764 -2.146 6.868 1.00 0.00 C ATOM 969 CD1 LEU A 59 151.637 -1.519 5.791 1.00 0.00 C ATOM 970 CD2 LEU A 59 150.087 -3.409 6.355 1.00 0.00 C ATOM 0 H LEU A 59 153.014 -2.609 10.126 1.00 0.00 H new ATOM 0 HA LEU A 59 152.156 -0.426 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 59 152.584 -2.787 7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 59 151.133 -3.288 8.643 1.00 0.00 H new ATOM 0 HG LEU A 59 149.987 -1.430 7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 59 151.031 -1.305 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 59 152.070 -0.592 6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 59 152.436 -2.210 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 59 149.499 -3.172 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 59 150.845 -4.150 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 59 149.431 -3.810 7.128 1.00 0.00 H new ATOM 982 N ASP A 60 149.927 -1.695 10.638 1.00 0.00 N ATOM 983 CA ASP A 60 148.636 -1.444 11.282 1.00 0.00 C ATOM 984 C ASP A 60 148.642 -0.112 12.026 1.00 0.00 C ATOM 985 O ASP A 60 147.647 0.617 12.019 1.00 0.00 O ATOM 986 CB ASP A 60 148.293 -2.574 12.254 1.00 0.00 C ATOM 987 CG ASP A 60 147.245 -3.516 11.698 1.00 0.00 C ATOM 988 OD1 ASP A 60 146.043 -3.186 11.783 1.00 0.00 O ATOM 989 OD2 ASP A 60 147.627 -4.585 11.173 1.00 0.00 O ATOM 0 H ASP A 60 150.420 -2.515 10.992 1.00 0.00 H new ATOM 0 HA ASP A 60 147.879 -1.401 10.499 1.00 0.00 H new ATOM 0 HB2 ASP A 60 149.197 -3.137 12.486 1.00 0.00 H new ATOM 0 HB3 ASP A 60 147.934 -2.147 13.191 1.00 0.00 H new ATOM 994 N LYS A 61 149.770 0.199 12.665 1.00 0.00 N ATOM 995 CA LYS A 61 149.912 1.446 13.412 1.00 0.00 C ATOM 996 C LYS A 61 149.791 2.648 12.475 1.00 0.00 C ATOM 997 O LYS A 61 149.138 3.639 12.805 1.00 0.00 O ATOM 998 CB LYS A 61 151.260 1.483 14.142 1.00 0.00 C ATOM 999 CG LYS A 61 151.228 0.854 15.527 1.00 0.00 C ATOM 1000 CD LYS A 61 152.608 0.845 16.169 1.00 0.00 C ATOM 1001 CE LYS A 61 152.923 -0.506 16.797 1.00 0.00 C ATOM 1002 NZ LYS A 61 154.344 -0.605 17.239 1.00 0.00 N ATOM 0 H LYS A 61 150.598 -0.396 12.679 1.00 0.00 H new ATOM 0 HA LYS A 61 149.112 1.495 14.150 1.00 0.00 H new ATOM 0 HB2 LYS A 61 152.005 0.967 13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 61 151.585 2.519 14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 61 150.534 1.405 16.162 1.00 0.00 H new ATOM 0 HG3 LYS A 61 150.852 -0.167 15.455 1.00 0.00 H new ATOM 0 HD2 LYS A 61 153.361 1.083 15.418 1.00 0.00 H new ATOM 0 HD3 LYS A 61 152.661 1.623 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 61 152.266 -0.669 17.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 152.712 -1.297 16.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 154.512 -1.541 17.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 154.972 -0.476 16.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 154.540 0.133 17.946 1.00 0.00 H new ATOM 1016 N ALA A 62 150.417 2.543 11.300 1.00 0.00 N ATOM 1017 CA ALA A 62 150.378 3.613 10.306 1.00 0.00 C ATOM 1018 C ALA A 62 148.952 3.863 9.820 1.00 0.00 C ATOM 1019 O ALA A 62 148.518 5.010 9.722 1.00 0.00 O ATOM 1020 CB ALA A 62 151.284 3.280 9.130 1.00 0.00 C ATOM 0 H ALA A 62 150.957 1.726 11.016 1.00 0.00 H new ATOM 0 HA ALA A 62 150.739 4.525 10.782 1.00 0.00 H new ATOM 0 HB1 ALA A 62 151.243 4.088 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A 62 152.309 3.161 9.482 1.00 0.00 H new ATOM 0 HB3 ALA A 62 150.950 2.352 8.665 1.00 0.00 H new ATOM 1026 N ILE A 63 148.226 2.785 9.519 1.00 0.00 N ATOM 1027 CA ILE A 63 146.848 2.903 9.046 1.00 0.00 C ATOM 1028 C ILE A 63 145.944 3.491 10.128 1.00 0.00 C ATOM 1029 O ILE A 63 145.132 4.371 9.853 1.00 0.00 O ATOM 1030 CB ILE A 63 146.269 1.544 8.589 1.00 0.00 C ATOM 1031 CG1 ILE A 63 147.167 0.903 7.528 1.00 0.00 C ATOM 1032 CG2 ILE A 63 144.856 1.728 8.048 1.00 0.00 C ATOM 1033 CD1 ILE A 63 147.281 1.716 6.256 1.00 0.00 C ATOM 0 H ILE A 63 148.567 1.827 9.594 1.00 0.00 H new ATOM 0 HA ILE A 63 146.875 3.573 8.187 1.00 0.00 H new ATOM 0 HB ILE A 63 146.230 0.878 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 148.163 0.758 7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 63 146.777 -0.085 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 63 144.460 0.764 7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 63 144.218 2.142 8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 63 144.878 2.410 7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 63 147.933 1.200 5.551 1.00 0.00 H new ATOM 0 HD12 ILE A 63 146.293 1.839 5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 63 147.700 2.696 6.487 1.00 0.00 H new ATOM 1045 N ASP A 64 146.090 2.995 11.358 1.00 0.00 N ATOM 1046 CA ASP A 64 145.282 3.469 12.482 1.00 0.00 C ATOM 1047 C ASP A 64 145.443 4.975 12.688 1.00 0.00 C ATOM 1048 O ASP A 64 144.457 5.691 12.873 1.00 0.00 O ATOM 1049 CB ASP A 64 145.660 2.720 13.766 1.00 0.00 C ATOM 1050 CG ASP A 64 144.975 1.369 13.883 1.00 0.00 C ATOM 1051 OD1 ASP A 64 144.698 0.746 12.836 1.00 0.00 O ATOM 1052 OD2 ASP A 64 144.721 0.931 15.024 1.00 0.00 O ATOM 0 H ASP A 64 146.760 2.265 11.601 1.00 0.00 H new ATOM 0 HA ASP A 64 144.237 3.269 12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 64 146.740 2.578 13.794 1.00 0.00 H new ATOM 0 HB3 ASP A 64 145.397 3.332 14.629 1.00 0.00 H new ATOM 1057 N ILE A 65 146.687 5.452 12.652 1.00 0.00 N ATOM 1058 CA ILE A 65 146.964 6.876 12.833 1.00 0.00 C ATOM 1059 C ILE A 65 146.480 7.685 11.629 1.00 0.00 C ATOM 1060 O ILE A 65 145.859 8.738 11.789 1.00 0.00 O ATOM 1061 CB ILE A 65 148.470 7.150 13.048 1.00 0.00 C ATOM 1062 CG1 ILE A 65 149.014 6.301 14.202 1.00 0.00 C ATOM 1063 CG2 ILE A 65 148.704 8.630 13.318 1.00 0.00 C ATOM 1064 CD1 ILE A 65 150.492 5.999 14.083 1.00 0.00 C ATOM 0 H ILE A 65 147.515 4.876 12.500 1.00 0.00 H new ATOM 0 HA ILE A 65 146.422 7.186 13.727 1.00 0.00 H new ATOM 0 HB ILE A 65 149.005 6.873 12.139 1.00 0.00 H new ATOM 0 HG12 ILE A 65 148.832 6.821 15.143 1.00 0.00 H new ATOM 0 HG13 ILE A 65 148.461 5.362 14.244 1.00 0.00 H new ATOM 0 HG21 ILE A 65 149.769 8.809 13.468 1.00 0.00 H new ATOM 0 HG22 ILE A 65 148.354 9.215 12.467 1.00 0.00 H new ATOM 0 HG23 ILE A 65 148.157 8.928 14.213 1.00 0.00 H new ATOM 0 HD11 ILE A 65 150.810 5.395 14.933 1.00 0.00 H new ATOM 0 HD12 ILE A 65 150.678 5.452 13.159 1.00 0.00 H new ATOM 0 HD13 ILE A 65 151.054 6.933 14.071 1.00 0.00 H new ATOM 1076 N LEU A 66 146.775 7.190 10.428 1.00 0.00 N ATOM 1077 CA LEU A 66 146.376 7.869 9.197 1.00 0.00 C ATOM 1078 C LEU A 66 144.853 7.935 9.065 1.00 0.00 C ATOM 1079 O LEU A 66 144.299 8.988 8.749 1.00 0.00 O ATOM 1080 CB LEU A 66 146.983 7.163 7.982 1.00 0.00 C ATOM 1081 CG LEU A 66 147.327 8.074 6.799 1.00 0.00 C ATOM 1082 CD1 LEU A 66 148.277 9.184 7.228 1.00 0.00 C ATOM 1083 CD2 LEU A 66 147.931 7.259 5.664 1.00 0.00 C ATOM 0 H LEU A 66 147.289 6.321 10.282 1.00 0.00 H new ATOM 0 HA LEU A 66 146.753 8.891 9.241 1.00 0.00 H new ATOM 0 HB2 LEU A 66 147.890 6.647 8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 146.285 6.399 7.640 1.00 0.00 H new ATOM 0 HG LEU A 66 146.407 8.537 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 66 148.507 9.818 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 66 147.807 9.784 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 66 149.198 8.746 7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 66 148.171 7.919 4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 66 148.840 6.769 6.012 1.00 0.00 H new ATOM 0 HD23 LEU A 66 147.215 6.505 5.336 1.00 0.00 H new ATOM 1095 N ASP A 67 144.182 6.807 9.312 1.00 0.00 N ATOM 1096 CA ASP A 67 142.720 6.739 9.224 1.00 0.00 C ATOM 1097 C ASP A 67 142.071 7.739 10.182 1.00 0.00 C ATOM 1098 O ASP A 67 141.090 8.396 9.834 1.00 0.00 O ATOM 1099 CB ASP A 67 142.228 5.318 9.536 1.00 0.00 C ATOM 1100 CG ASP A 67 142.260 4.396 8.326 1.00 0.00 C ATOM 1101 OD1 ASP A 67 143.138 4.577 7.455 1.00 0.00 O ATOM 1102 OD2 ASP A 67 141.405 3.486 8.253 1.00 0.00 O ATOM 0 H ASP A 67 144.627 5.928 9.575 1.00 0.00 H new ATOM 0 HA ASP A 67 142.431 6.997 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 67 142.845 4.892 10.327 1.00 0.00 H new ATOM 0 HB3 ASP A 67 141.209 5.369 9.920 1.00 0.00 H new ATOM 1107 N ARG A 68 142.633 7.851 11.387 1.00 0.00 N ATOM 1108 CA ARG A 68 142.120 8.777 12.395 1.00 0.00 C ATOM 1109 C ARG A 68 142.353 10.231 11.977 1.00 0.00 C ATOM 1110 O ARG A 68 141.545 11.109 12.283 1.00 0.00 O ATOM 1111 CB ARG A 68 142.788 8.514 13.746 1.00 0.00 C ATOM 1112 CG ARG A 68 142.061 9.148 14.921 1.00 0.00 C ATOM 1113 CD ARG A 68 143.038 9.723 15.936 1.00 0.00 C ATOM 1114 NE ARG A 68 142.425 10.767 16.758 1.00 0.00 N ATOM 1115 CZ ARG A 68 143.118 11.663 17.468 1.00 0.00 C ATOM 1116 NH1 ARG A 68 144.448 11.642 17.473 1.00 0.00 N ATOM 1117 NH2 ARG A 68 142.476 12.582 18.180 1.00 0.00 N ATOM 0 H ARG A 68 143.444 7.311 11.688 1.00 0.00 H new ATOM 0 HA ARG A 68 141.046 8.612 12.486 1.00 0.00 H new ATOM 0 HB2 ARG A 68 142.851 7.438 13.907 1.00 0.00 H new ATOM 0 HB3 ARG A 68 143.810 8.892 13.716 1.00 0.00 H new ATOM 0 HG2 ARG A 68 141.403 9.938 14.560 1.00 0.00 H new ATOM 0 HG3 ARG A 68 141.429 8.403 15.404 1.00 0.00 H new ATOM 0 HD2 ARG A 68 143.404 8.923 16.580 1.00 0.00 H new ATOM 0 HD3 ARG A 68 143.903 10.133 15.414 1.00 0.00 H new ATOM 0 HE ARG A 68 141.407 10.814 16.791 1.00 0.00 H new ATOM 0 HH11 ARG A 68 144.949 10.938 16.932 1.00 0.00 H new ATOM 0 HH12 ARG A 68 144.967 12.330 18.018 1.00 0.00 H new ATOM 0 HH21 ARG A 68 141.456 12.603 18.184 1.00 0.00 H new ATOM 0 HH22 ARG A 68 143.003 13.267 18.722 1.00 0.00 H new ATOM 1131 N SER A 69 143.463 10.476 11.279 1.00 0.00 N ATOM 1132 CA SER A 69 143.803 11.819 10.818 1.00 0.00 C ATOM 1133 C SER A 69 143.066 12.154 9.523 1.00 0.00 C ATOM 1134 O SER A 69 143.317 11.549 8.480 1.00 0.00 O ATOM 1135 CB SER A 69 145.316 11.943 10.604 1.00 0.00 C ATOM 1136 OG SER A 69 145.657 13.195 10.030 1.00 0.00 O ATOM 0 H SER A 69 144.142 9.759 11.021 1.00 0.00 H new ATOM 0 HA SER A 69 143.493 12.527 11.586 1.00 0.00 H new ATOM 0 HB2 SER A 69 145.831 11.826 11.558 1.00 0.00 H new ATOM 0 HB3 SER A 69 145.660 11.138 9.955 1.00 0.00 H new ATOM 0 HG SER A 69 146.628 13.245 9.907 1.00 0.00 H new ATOM 1142 N SER A 70 142.160 13.129 9.595 1.00 0.00 N ATOM 1143 CA SER A 70 141.392 13.553 8.425 1.00 0.00 C ATOM 1144 C SER A 70 142.253 14.394 7.479 1.00 0.00 C ATOM 1145 O SER A 70 142.026 14.401 6.269 1.00 0.00 O ATOM 1146 CB SER A 70 140.159 14.353 8.854 1.00 0.00 C ATOM 1147 OG SER A 70 139.078 13.496 9.188 1.00 0.00 O ATOM 0 H SER A 70 141.940 13.639 10.450 1.00 0.00 H new ATOM 0 HA SER A 70 141.068 12.657 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 70 140.409 14.978 9.712 1.00 0.00 H new ATOM 0 HB3 SER A 70 139.859 15.023 8.048 1.00 0.00 H new ATOM 0 HG SER A 70 138.306 14.034 9.460 1.00 0.00 H new ATOM 1153 N SER A 71 143.239 15.102 8.040 1.00 0.00 N ATOM 1154 CA SER A 71 144.135 15.947 7.247 1.00 0.00 C ATOM 1155 C SER A 71 144.814 15.143 6.136 1.00 0.00 C ATOM 1156 O SER A 71 145.049 15.658 5.043 1.00 0.00 O ATOM 1157 CB SER A 71 145.197 16.599 8.140 1.00 0.00 C ATOM 1158 OG SER A 71 144.733 16.745 9.473 1.00 0.00 O ATOM 0 H SER A 71 143.436 15.106 9.041 1.00 0.00 H new ATOM 0 HA SER A 71 143.529 16.728 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 71 146.103 15.993 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 71 145.464 17.576 7.737 1.00 0.00 H new ATOM 0 HG SER A 71 145.432 17.162 10.019 1.00 0.00 H new ATOM 1164 N MET A 72 145.125 13.878 6.425 1.00 0.00 N ATOM 1165 CA MET A 72 145.772 13.003 5.453 1.00 0.00 C ATOM 1166 C MET A 72 144.804 11.938 4.942 1.00 0.00 C ATOM 1167 O MET A 72 143.844 11.576 5.626 1.00 0.00 O ATOM 1168 CB MET A 72 146.997 12.332 6.077 1.00 0.00 C ATOM 1169 CG MET A 72 148.318 12.876 5.561 1.00 0.00 C ATOM 1170 SD MET A 72 148.706 12.286 3.902 1.00 0.00 S ATOM 1171 CE MET A 72 150.099 11.212 4.239 1.00 0.00 C ATOM 0 H MET A 72 144.938 13.439 7.326 1.00 0.00 H new ATOM 0 HA MET A 72 146.088 13.615 4.608 1.00 0.00 H new ATOM 0 HB2 MET A 72 146.959 12.460 7.159 1.00 0.00 H new ATOM 0 HB3 MET A 72 146.953 11.261 5.881 1.00 0.00 H new ATOM 0 HG2 MET A 72 148.282 13.965 5.557 1.00 0.00 H new ATOM 0 HG3 MET A 72 149.118 12.586 6.243 1.00 0.00 H new ATOM 0 HE1 MET A 72 150.707 11.112 3.340 1.00 0.00 H new ATOM 0 HE2 MET A 72 150.702 11.639 5.040 1.00 0.00 H new ATOM 0 HE3 MET A 72 149.736 10.230 4.543 1.00 0.00 H new ATOM 1181 N LYS A 73 145.070 11.436 3.735 1.00 0.00 N ATOM 1182 CA LYS A 73 144.235 10.404 3.123 1.00 0.00 C ATOM 1183 C LYS A 73 145.099 9.302 2.512 1.00 0.00 C ATOM 1184 O LYS A 73 144.904 8.119 2.798 1.00 0.00 O ATOM 1185 CB LYS A 73 143.323 11.014 2.052 1.00 0.00 C ATOM 1186 CG LYS A 73 142.273 11.960 2.614 1.00 0.00 C ATOM 1187 CD LYS A 73 141.029 11.209 3.069 1.00 0.00 C ATOM 1188 CE LYS A 73 140.486 11.762 4.379 1.00 0.00 C ATOM 1189 NZ LYS A 73 140.466 10.734 5.459 1.00 0.00 N ATOM 0 H LYS A 73 145.860 11.729 3.161 1.00 0.00 H new ATOM 0 HA LYS A 73 143.613 9.965 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 73 143.935 11.553 1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 73 142.824 10.210 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 73 142.693 12.513 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 73 141.999 12.693 1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 73 140.261 11.277 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 73 141.266 10.152 3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 73 141.097 12.607 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 73 139.476 12.140 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 140.089 11.155 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 139.862 9.938 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 141.433 10.391 5.630 1.00 0.00 H new ATOM 1203 N SER A 74 146.060 9.697 1.673 1.00 0.00 N ATOM 1204 CA SER A 74 146.961 8.744 1.026 1.00 0.00 C ATOM 1205 C SER A 74 148.065 8.294 1.985 1.00 0.00 C ATOM 1206 O SER A 74 148.230 8.863 3.066 1.00 0.00 O ATOM 1207 CB SER A 74 147.583 9.364 -0.230 1.00 0.00 C ATOM 1208 OG SER A 74 147.826 10.752 -0.059 1.00 0.00 O ATOM 0 H SER A 74 146.233 10.672 1.427 1.00 0.00 H new ATOM 0 HA SER A 74 146.375 7.871 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 148.519 8.856 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 74 146.918 9.212 -1.080 1.00 0.00 H new ATOM 0 HG SER A 74 148.224 11.118 -0.876 1.00 0.00 H new ATOM 1214 N LEU A 75 148.820 7.270 1.581 1.00 0.00 N ATOM 1215 CA LEU A 75 149.910 6.744 2.403 1.00 0.00 C ATOM 1216 C LEU A 75 151.268 7.038 1.767 1.00 0.00 C ATOM 1217 O LEU A 75 151.533 6.632 0.634 1.00 0.00 O ATOM 1218 CB LEU A 75 149.744 5.234 2.607 1.00 0.00 C ATOM 1219 CG LEU A 75 149.864 4.756 4.057 1.00 0.00 C ATOM 1220 CD1 LEU A 75 148.870 3.638 4.335 1.00 0.00 C ATOM 1221 CD2 LEU A 75 151.285 4.297 4.355 1.00 0.00 C ATOM 0 H LEU A 75 148.696 6.789 0.690 1.00 0.00 H new ATOM 0 HA LEU A 75 149.869 7.241 3.372 1.00 0.00 H new ATOM 0 HB2 LEU A 75 148.768 4.936 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 75 150.494 4.718 2.008 1.00 0.00 H new ATOM 0 HG LEU A 75 149.631 5.594 4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 75 148.970 3.311 5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 75 147.857 4.002 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 75 149.070 2.799 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 75 151.349 3.961 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 75 151.549 3.475 3.690 1.00 0.00 H new ATOM 0 HD23 LEU A 75 151.975 5.126 4.199 1.00 0.00 H new ATOM 1233 N ARG A 76 152.123 7.746 2.505 1.00 0.00 N ATOM 1234 CA ARG A 76 153.454 8.095 2.015 1.00 0.00 C ATOM 1235 C ARG A 76 154.468 7.010 2.377 1.00 0.00 C ATOM 1236 O ARG A 76 154.840 6.859 3.544 1.00 0.00 O ATOM 1237 CB ARG A 76 153.900 9.445 2.589 1.00 0.00 C ATOM 1238 CG ARG A 76 154.249 10.476 1.526 1.00 0.00 C ATOM 1239 CD ARG A 76 153.851 11.879 1.958 1.00 0.00 C ATOM 1240 NE ARG A 76 154.316 12.895 1.015 1.00 0.00 N ATOM 1241 CZ ARG A 76 153.742 13.137 -0.167 1.00 0.00 C ATOM 1242 NH1 ARG A 76 152.681 12.434 -0.559 1.00 0.00 N ATOM 1243 NH2 ARG A 76 154.232 14.084 -0.960 1.00 0.00 N ATOM 0 H ARG A 76 151.917 8.088 3.443 1.00 0.00 H new ATOM 0 HA ARG A 76 153.405 8.173 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 76 153.105 9.842 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 76 154.768 9.289 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 76 155.320 10.446 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 76 153.744 10.224 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 76 152.766 11.937 2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 154.264 12.085 2.946 1.00 0.00 H new ATOM 0 HE ARG A 76 155.129 13.454 1.276 1.00 0.00 H new ATOM 0 HH11 ARG A 76 152.301 11.705 0.045 1.00 0.00 H new ATOM 0 HH12 ARG A 76 152.248 12.625 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 76 155.045 14.625 -0.666 1.00 0.00 H new ATOM 0 HH22 ARG A 76 153.795 14.270 -1.863 1.00 0.00 H new ATOM 1257 N ILE A 77 154.908 6.255 1.370 1.00 0.00 N ATOM 1258 CA ILE A 77 155.878 5.183 1.578 1.00 0.00 C ATOM 1259 C ILE A 77 157.051 5.306 0.606 1.00 0.00 C ATOM 1260 O ILE A 77 156.856 5.489 -0.598 1.00 0.00 O ATOM 1261 CB ILE A 77 155.229 3.790 1.410 1.00 0.00 C ATOM 1262 CG1 ILE A 77 153.924 3.702 2.209 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.194 2.693 1.846 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.091 2.483 1.875 1.00 0.00 C ATOM 0 H ILE A 77 154.607 6.367 0.402 1.00 0.00 H new ATOM 0 HA ILE A 77 156.243 5.283 2.600 1.00 0.00 H new ATOM 0 HB ILE A 77 154.997 3.647 0.355 1.00 0.00 H new ATOM 0 HG12 ILE A 77 154.159 3.691 3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 77 153.332 4.598 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.719 1.720 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 77 157.096 2.738 1.236 1.00 0.00 H new ATOM 0 HG23 ILE A 77 156.458 2.836 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 77 152.183 2.486 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 77 152.825 2.503 0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 77 153.665 1.581 2.088 1.00 0.00 H new ATOM 1276 N LEU A 78 158.267 5.201 1.139 1.00 0.00 N ATOM 1277 CA LEU A 78 159.480 5.294 0.331 1.00 0.00 C ATOM 1278 C LEU A 78 160.062 3.904 0.077 1.00 0.00 C ATOM 1279 O LEU A 78 160.413 3.191 1.017 1.00 0.00 O ATOM 1280 CB LEU A 78 160.514 6.176 1.037 1.00 0.00 C ATOM 1281 CG LEU A 78 161.519 6.875 0.115 1.00 0.00 C ATOM 1282 CD1 LEU A 78 160.951 8.190 -0.400 1.00 0.00 C ATOM 1283 CD2 LEU A 78 162.835 7.109 0.845 1.00 0.00 C ATOM 0 H LEU A 78 158.438 5.051 2.133 1.00 0.00 H new ATOM 0 HA LEU A 78 159.225 5.744 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 78 159.986 6.936 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 78 161.066 5.562 1.749 1.00 0.00 H new ATOM 0 HG LEU A 78 161.709 6.228 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 78 161.680 8.670 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 78 160.035 7.997 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 78 160.730 8.846 0.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 163.538 7.606 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 78 162.660 7.736 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 78 163.250 6.152 1.162 1.00 0.00 H new ATOM 1295 N LEU A 79 160.155 3.524 -1.198 1.00 0.00 N ATOM 1296 CA LEU A 79 160.690 2.214 -1.572 1.00 0.00 C ATOM 1297 C LEU A 79 162.189 2.299 -1.867 1.00 0.00 C ATOM 1298 O LEU A 79 162.636 3.177 -2.606 1.00 0.00 O ATOM 1299 CB LEU A 79 159.948 1.663 -2.795 1.00 0.00 C ATOM 1300 CG LEU A 79 158.422 1.613 -2.663 1.00 0.00 C ATOM 1301 CD1 LEU A 79 157.758 1.952 -3.990 1.00 0.00 C ATOM 1302 CD2 LEU A 79 157.972 0.243 -2.172 1.00 0.00 C ATOM 0 H LEU A 79 159.868 4.103 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 79 160.541 1.537 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 79 160.202 2.275 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 160.313 0.656 -2.998 1.00 0.00 H new ATOM 0 HG LEU A 79 158.117 2.358 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 79 156.675 1.911 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 79 158.053 2.955 -4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 79 158.070 1.233 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 156.886 0.227 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 79 158.290 -0.521 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 79 158.418 0.041 -1.198 1.00 0.00 H new ATOM 1314 N LEU A 80 162.959 1.380 -1.280 1.00 0.00 N ATOM 1315 CA LEU A 80 164.409 1.347 -1.476 1.00 0.00 C ATOM 1316 C LEU A 80 164.912 -0.093 -1.562 1.00 0.00 C ATOM 1317 O LEU A 80 164.469 -0.959 -0.808 1.00 0.00 O ATOM 1318 CB LEU A 80 165.120 2.083 -0.333 1.00 0.00 C ATOM 1319 CG LEU A 80 164.715 3.551 -0.150 1.00 0.00 C ATOM 1320 CD1 LEU A 80 163.481 3.661 0.734 1.00 0.00 C ATOM 1321 CD2 LEU A 80 165.866 4.357 0.439 1.00 0.00 C ATOM 0 H LEU A 80 162.602 0.649 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 80 164.635 1.850 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 80 164.925 1.550 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 80 166.195 2.038 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 80 164.474 3.962 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 80 163.210 4.710 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 80 162.654 3.122 0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 80 163.694 3.230 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 80 165.558 5.395 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 80 166.140 3.944 1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 80 166.724 4.309 -0.231 1.00 0.00 H new ATOM 1333 N SER A 81 165.836 -0.342 -2.489 1.00 0.00 N ATOM 1334 CA SER A 81 166.398 -1.679 -2.679 1.00 0.00 C ATOM 1335 C SER A 81 167.199 -2.125 -1.457 1.00 0.00 C ATOM 1336 O SER A 81 167.996 -1.361 -0.912 1.00 0.00 O ATOM 1337 CB SER A 81 167.288 -1.711 -3.924 1.00 0.00 C ATOM 1338 OG SER A 81 166.552 -2.121 -5.064 1.00 0.00 O ATOM 0 H SER A 81 166.212 0.365 -3.121 1.00 0.00 H new ATOM 0 HA SER A 81 165.567 -2.371 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 81 167.713 -0.722 -4.097 1.00 0.00 H new ATOM 0 HB3 SER A 81 168.123 -2.393 -3.761 1.00 0.00 H new ATOM 0 HG SER A 81 167.137 -2.117 -5.850 1.00 0.00 H new ATOM 1344 N GLN A 82 166.980 -3.371 -1.036 1.00 0.00 N ATOM 1345 CA GLN A 82 167.679 -3.931 0.120 1.00 0.00 C ATOM 1346 C GLN A 82 168.723 -4.968 -0.312 1.00 0.00 C ATOM 1347 O GLN A 82 168.968 -5.947 0.396 1.00 0.00 O ATOM 1348 CB GLN A 82 166.666 -4.564 1.083 1.00 0.00 C ATOM 1349 CG GLN A 82 167.247 -4.938 2.440 1.00 0.00 C ATOM 1350 CD GLN A 82 166.806 -3.999 3.547 1.00 0.00 C ATOM 1351 OE1 GLN A 82 165.633 -3.966 3.916 1.00 0.00 O ATOM 1352 NE2 GLN A 82 167.747 -3.231 4.087 1.00 0.00 N ATOM 0 H GLN A 82 166.323 -4.012 -1.480 1.00 0.00 H new ATOM 0 HA GLN A 82 168.203 -3.122 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 82 165.840 -3.869 1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 82 166.250 -5.458 0.619 1.00 0.00 H new ATOM 0 HG2 GLN A 82 166.946 -5.955 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 82 168.335 -4.934 2.378 1.00 0.00 H new ATOM 0 HE21 GLN A 82 168.708 -3.290 3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 82 167.508 -2.583 4.837 1.00 0.00 H new ATOM 1361 N ASP A 83 169.343 -4.745 -1.475 1.00 0.00 N ATOM 1362 CA ASP A 83 170.363 -5.658 -1.988 1.00 0.00 C ATOM 1363 C ASP A 83 171.306 -4.936 -2.952 1.00 0.00 C ATOM 1364 O ASP A 83 170.979 -4.747 -4.125 1.00 0.00 O ATOM 1365 CB ASP A 83 169.704 -6.858 -2.687 1.00 0.00 C ATOM 1366 CG ASP A 83 170.162 -8.195 -2.126 1.00 0.00 C ATOM 1367 OD1 ASP A 83 170.504 -8.257 -0.926 1.00 0.00 O ATOM 1368 OD2 ASP A 83 170.172 -9.183 -2.889 1.00 0.00 O ATOM 0 H ASP A 83 169.156 -3.942 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 83 170.949 -6.021 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 83 168.621 -6.780 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 83 169.930 -6.820 -3.753 1.00 0.00 H new ATOM 1373 N ARG A 84 172.475 -4.532 -2.449 1.00 0.00 N ATOM 1374 CA ARG A 84 173.465 -3.826 -3.269 1.00 0.00 C ATOM 1375 C ARG A 84 174.096 -4.767 -4.295 1.00 0.00 C ATOM 1376 O ARG A 84 174.152 -4.456 -5.486 1.00 0.00 O ATOM 1377 CB ARG A 84 174.553 -3.211 -2.382 1.00 0.00 C ATOM 1378 CG ARG A 84 174.234 -1.796 -1.919 1.00 0.00 C ATOM 1379 CD ARG A 84 173.595 -1.786 -0.537 1.00 0.00 C ATOM 1380 NE ARG A 84 174.568 -2.044 0.526 1.00 0.00 N ATOM 1381 CZ ARG A 84 174.359 -1.761 1.815 1.00 0.00 C ATOM 1382 NH1 ARG A 84 173.213 -1.209 2.209 1.00 0.00 N ATOM 1383 NH2 ARG A 84 175.297 -2.031 2.716 1.00 0.00 N ATOM 0 H ARG A 84 172.760 -4.681 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 84 172.951 -3.028 -3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 84 174.700 -3.846 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 84 175.495 -3.201 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 84 175.149 -1.204 -1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 84 173.562 -1.322 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 84 173.120 -0.820 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 84 172.808 -2.539 -0.497 1.00 0.00 H new ATOM 0 HE ARG A 84 175.460 -2.466 0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 84 172.486 -0.999 1.525 1.00 0.00 H new ATOM 0 HH12 ARG A 84 173.062 -0.996 3.195 1.00 0.00 H new ATOM 0 HH21 ARG A 84 176.178 -2.455 2.424 1.00 0.00 H new ATOM 0 HH22 ARG A 84 175.137 -1.815 3.700 1.00 0.00 H new ATOM 1397 N ASN A 85 174.561 -5.919 -3.815 1.00 0.00 N ATOM 1398 CA ASN A 85 175.186 -6.936 -4.665 1.00 0.00 C ATOM 1399 C ASN A 85 176.502 -6.444 -5.269 1.00 0.00 C ATOM 1400 O ASN A 85 176.511 -5.548 -6.113 1.00 0.00 O ATOM 1401 CB ASN A 85 174.227 -7.366 -5.784 1.00 0.00 C ATOM 1402 CG ASN A 85 173.415 -8.592 -5.413 1.00 0.00 C ATOM 1403 OD1 ASN A 85 172.464 -8.508 -4.636 1.00 0.00 O ATOM 1404 ND2 ASN A 85 173.787 -9.740 -5.969 1.00 0.00 N ATOM 0 H ASN A 85 174.516 -6.175 -2.829 1.00 0.00 H new ATOM 0 HA ASN A 85 175.408 -7.794 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 85 173.551 -6.543 -6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 85 174.799 -7.573 -6.689 1.00 0.00 H new ATOM 0 HD21 ASN A 85 173.278 -10.598 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 85 174.582 -9.763 -6.608 1.00 0.00 H new ATOM 1411 N LEU A 86 177.614 -7.051 -4.842 1.00 0.00 N ATOM 1412 CA LEU A 86 178.936 -6.688 -5.354 1.00 0.00 C ATOM 1413 C LEU A 86 179.345 -7.605 -6.517 1.00 0.00 C ATOM 1414 O LEU A 86 180.530 -7.889 -6.711 1.00 0.00 O ATOM 1415 CB LEU A 86 179.982 -6.759 -4.232 1.00 0.00 C ATOM 1416 CG LEU A 86 181.239 -5.910 -4.452 1.00 0.00 C ATOM 1417 CD1 LEU A 86 181.048 -4.510 -3.889 1.00 0.00 C ATOM 1418 CD2 LEU A 86 182.448 -6.580 -3.817 1.00 0.00 C ATOM 0 H LEU A 86 177.623 -7.795 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 86 178.885 -5.665 -5.726 1.00 0.00 H new ATOM 0 HB2 LEU A 86 179.512 -6.447 -3.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 180.284 -7.799 -4.105 1.00 0.00 H new ATOM 0 HG LEU A 86 181.413 -5.825 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 86 181.952 -3.924 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 86 180.207 -4.029 -4.388 1.00 0.00 H new ATOM 0 HD13 LEU A 86 180.848 -4.572 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 86 183.333 -5.965 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 86 182.280 -6.695 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 86 182.599 -7.561 -4.268 1.00 0.00 H new ATOM 1430 N GLU A 87 178.354 -8.056 -7.294 1.00 0.00 N ATOM 1431 CA GLU A 87 178.600 -8.926 -8.439 1.00 0.00 C ATOM 1432 C GLU A 87 177.906 -8.373 -9.685 1.00 0.00 C ATOM 1433 O GLU A 87 177.007 -7.536 -9.579 1.00 0.00 O ATOM 1434 CB GLU A 87 178.110 -10.348 -8.144 1.00 0.00 C ATOM 1435 CG GLU A 87 179.086 -11.436 -8.578 1.00 0.00 C ATOM 1436 CD GLU A 87 179.921 -11.984 -7.432 1.00 0.00 C ATOM 1437 OE1 GLU A 87 179.364 -12.197 -6.334 1.00 0.00 O ATOM 1438 OE2 GLU A 87 181.133 -12.208 -7.638 1.00 0.00 O ATOM 0 H GLU A 87 177.371 -7.829 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 87 179.674 -8.960 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 87 177.925 -10.444 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.156 -10.506 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.529 -12.253 -9.036 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.750 -11.035 -9.343 1.00 0.00 H new ATOM 1445 N HIS A 88 178.334 -8.843 -10.859 1.00 0.00 N ATOM 1446 CA HIS A 88 177.766 -8.399 -12.136 1.00 0.00 C ATOM 1447 C HIS A 88 178.158 -6.954 -12.442 1.00 0.00 C ATOM 1448 O HIS A 88 178.318 -6.136 -11.534 1.00 0.00 O ATOM 1449 CB HIS A 88 176.238 -8.534 -12.131 1.00 0.00 C ATOM 1450 CG HIS A 88 175.726 -9.615 -13.032 1.00 0.00 C ATOM 1451 ND1 HIS A 88 176.086 -9.726 -14.360 1.00 0.00 N ATOM 1452 CD2 HIS A 88 174.871 -10.636 -12.790 1.00 0.00 C ATOM 1453 CE1 HIS A 88 175.475 -10.769 -14.893 1.00 0.00 C ATOM 1454 NE2 HIS A 88 174.733 -11.337 -13.961 1.00 0.00 N ATOM 0 H HIS A 88 179.077 -9.536 -10.952 1.00 0.00 H new ATOM 0 HA HIS A 88 178.174 -9.041 -12.916 1.00 0.00 H new ATOM 0 HB2 HIS A 88 175.903 -8.733 -11.113 1.00 0.00 H new ATOM 0 HB3 HIS A 88 175.797 -7.584 -12.432 1.00 0.00 H new ATOM 0 HD2 HIS A 88 174.387 -10.858 -11.850 1.00 0.00 H new ATOM 0 HE1 HIS A 88 175.567 -11.100 -15.917 1.00 0.00 H new ATOM 0 HE2 HIS A 88 174.151 -12.164 -14.091 1.00 0.00 H new ATOM 1463 N HIS A 89 178.311 -6.647 -13.730 1.00 0.00 N ATOM 1464 CA HIS A 89 178.685 -5.301 -14.161 1.00 0.00 C ATOM 1465 C HIS A 89 177.838 -4.851 -15.353 1.00 0.00 C ATOM 1466 O HIS A 89 177.291 -3.748 -15.352 1.00 0.00 O ATOM 1467 CB HIS A 89 180.173 -5.254 -14.527 1.00 0.00 C ATOM 1468 CG HIS A 89 181.049 -4.724 -13.431 1.00 0.00 C ATOM 1469 ND1 HIS A 89 181.895 -3.647 -13.598 1.00 0.00 N ATOM 1470 CD2 HIS A 89 181.209 -5.129 -12.148 1.00 0.00 C ATOM 1471 CE1 HIS A 89 182.536 -3.414 -12.466 1.00 0.00 C ATOM 1472 NE2 HIS A 89 182.137 -4.298 -11.570 1.00 0.00 N ATOM 0 H HIS A 89 178.182 -7.312 -14.492 1.00 0.00 H new ATOM 0 HA HIS A 89 178.500 -4.618 -13.332 1.00 0.00 H new ATOM 0 HB2 HIS A 89 180.505 -6.258 -14.791 1.00 0.00 H new ATOM 0 HB3 HIS A 89 180.300 -4.633 -15.414 1.00 0.00 H new ATOM 0 HD2 HIS A 89 180.701 -5.953 -11.669 1.00 0.00 H new ATOM 0 HE1 HIS A 89 183.263 -2.633 -12.302 1.00 0.00 H new ATOM 0 HE2 HIS A 89 182.465 -4.354 -10.606 1.00 0.00 H new ATOM 1481 N HIS A 90 177.737 -5.712 -16.368 1.00 0.00 N ATOM 1482 CA HIS A 90 176.958 -5.402 -17.564 1.00 0.00 C ATOM 1483 C HIS A 90 176.698 -6.662 -18.390 1.00 0.00 C ATOM 1484 O HIS A 90 177.633 -7.302 -18.876 1.00 0.00 O ATOM 1485 CB HIS A 90 177.673 -4.345 -18.419 1.00 0.00 C ATOM 1486 CG HIS A 90 179.000 -4.786 -18.967 1.00 0.00 C ATOM 1487 ND1 HIS A 90 180.008 -5.316 -18.183 1.00 0.00 N ATOM 1488 CD2 HIS A 90 179.482 -4.772 -20.232 1.00 0.00 C ATOM 1489 CE1 HIS A 90 181.049 -5.604 -18.943 1.00 0.00 C ATOM 1490 NE2 HIS A 90 180.755 -5.285 -20.189 1.00 0.00 N ATOM 0 H HIS A 90 178.185 -6.628 -16.384 1.00 0.00 H new ATOM 0 HA HIS A 90 175.998 -4.999 -17.242 1.00 0.00 H new ATOM 0 HB2 HIS A 90 177.024 -4.068 -19.250 1.00 0.00 H new ATOM 0 HB3 HIS A 90 177.822 -3.448 -17.817 1.00 0.00 H new ATOM 0 HD2 HIS A 90 178.962 -4.422 -21.112 1.00 0.00 H new ATOM 0 HE1 HIS A 90 181.982 -6.028 -18.603 1.00 0.00 H new ATOM 0 HE2 HIS A 90 181.374 -5.401 -20.991 1.00 0.00 H new ATOM 1499 N HIS A 91 175.423 -7.015 -18.544 1.00 0.00 N ATOM 1500 CA HIS A 91 175.045 -8.198 -19.311 1.00 0.00 C ATOM 1501 C HIS A 91 173.789 -7.939 -20.140 1.00 0.00 C ATOM 1502 O HIS A 91 172.704 -7.736 -19.592 1.00 0.00 O ATOM 1503 CB HIS A 91 174.819 -9.391 -18.380 1.00 0.00 C ATOM 1504 CG HIS A 91 175.280 -10.691 -18.961 1.00 0.00 C ATOM 1505 ND1 HIS A 91 174.847 -11.168 -20.182 1.00 0.00 N ATOM 1506 CD2 HIS A 91 176.146 -11.615 -18.484 1.00 0.00 C ATOM 1507 CE1 HIS A 91 175.426 -12.329 -20.429 1.00 0.00 C ATOM 1508 NE2 HIS A 91 176.219 -12.622 -19.415 1.00 0.00 N ATOM 0 H HIS A 91 174.637 -6.499 -18.148 1.00 0.00 H new ATOM 0 HA HIS A 91 175.864 -8.429 -19.992 1.00 0.00 H new ATOM 0 HB2 HIS A 91 175.343 -9.214 -17.441 1.00 0.00 H new ATOM 0 HB3 HIS A 91 173.757 -9.463 -18.144 1.00 0.00 H new ATOM 0 HD2 HIS A 91 176.680 -11.569 -17.546 1.00 0.00 H new ATOM 0 HE1 HIS A 91 175.276 -12.935 -21.310 1.00 0.00 H new ATOM 0 HE2 HIS A 91 176.793 -13.461 -19.336 1.00 0.00 H new ATOM 1517 N HIS A 92 173.945 -7.950 -21.463 1.00 0.00 N ATOM 1518 CA HIS A 92 172.827 -7.720 -22.376 1.00 0.00 C ATOM 1519 C HIS A 92 173.158 -8.226 -23.779 1.00 0.00 C ATOM 1520 O HIS A 92 174.308 -8.156 -24.216 1.00 0.00 O ATOM 1521 CB HIS A 92 172.471 -6.228 -22.423 1.00 0.00 C ATOM 1522 CG HIS A 92 173.581 -5.356 -22.928 1.00 0.00 C ATOM 1523 ND1 HIS A 92 173.611 -4.844 -24.208 1.00 0.00 N ATOM 1524 CD2 HIS A 92 174.704 -4.909 -22.319 1.00 0.00 C ATOM 1525 CE1 HIS A 92 174.705 -4.121 -24.364 1.00 0.00 C ATOM 1526 NE2 HIS A 92 175.385 -4.143 -23.233 1.00 0.00 N ATOM 0 H HIS A 92 174.838 -8.116 -21.927 1.00 0.00 H new ATOM 0 HA HIS A 92 171.966 -8.275 -22.004 1.00 0.00 H new ATOM 0 HB2 HIS A 92 171.597 -6.093 -23.060 1.00 0.00 H new ATOM 0 HB3 HIS A 92 172.190 -5.899 -21.422 1.00 0.00 H new ATOM 0 HD2 HIS A 92 175.008 -5.116 -21.304 1.00 0.00 H new ATOM 0 HE1 HIS A 92 174.994 -3.600 -25.265 1.00 0.00 H new ATOM 0 HE2 HIS A 92 176.272 -3.668 -23.065 1.00 0.00 H new ATOM 1535 N HIS A 93 172.145 -8.732 -24.479 1.00 0.00 N ATOM 1536 CA HIS A 93 172.330 -9.249 -25.835 1.00 0.00 C ATOM 1537 C HIS A 93 171.717 -8.310 -26.875 1.00 0.00 C ATOM 1538 O HIS A 93 172.106 -8.410 -28.057 1.00 0.00 O ATOM 1539 CB HIS A 93 171.711 -10.645 -25.962 1.00 0.00 C ATOM 1540 CG HIS A 93 172.701 -11.761 -25.813 1.00 0.00 C ATOM 1541 ND1 HIS A 93 172.562 -12.981 -26.444 1.00 0.00 N ATOM 1542 CD2 HIS A 93 173.851 -11.838 -25.100 1.00 0.00 C ATOM 1543 CE1 HIS A 93 173.582 -13.759 -26.124 1.00 0.00 C ATOM 1544 NE2 HIS A 93 174.376 -13.089 -25.311 1.00 0.00 N ATOM 1545 OXT HIS A 93 170.855 -7.485 -26.500 1.00 0.00 O ATOM 0 H HIS A 93 171.188 -8.795 -24.131 1.00 0.00 H new ATOM 0 HA HIS A 93 173.402 -9.314 -26.024 1.00 0.00 H new ATOM 0 HB2 HIS A 93 170.934 -10.758 -25.206 1.00 0.00 H new ATOM 0 HB3 HIS A 93 171.225 -10.730 -26.934 1.00 0.00 H new ATOM 0 HD2 HIS A 93 174.275 -11.061 -24.482 1.00 0.00 H new ATOM 0 HE1 HIS A 93 173.738 -14.770 -26.469 1.00 0.00 H new ATOM 0 HE2 HIS A 93 175.242 -13.444 -24.904 1.00 0.00 H new TER 1554 HIS A 93