USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 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 24 LYS NZ :NH3+ -140:sc= -0.401 (180deg=-2.94!) USER MOD Set 1.2: A 56 GLN : amide:sc= 0.288 K(o=-0.11,f=-0.65) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.418 X(o=-0.52,f=-0.41) USER MOD Set 2.2: A 11 ASN : amide:sc= -0.0997 X(o=-0.52,f=-0.91) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 139:sc= 0.0212 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0346) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00892 USER MOD Single : A 25 TYR OH : rot 61:sc= 0.608 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.599 USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.08 USER MOD Single : A 38 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 150:sc= -0.395 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -168:sc= -0.0515 (180deg=-0.3) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 45:sc= 0.119 USER MOD Single : A 82 GLN : amide:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 89 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.69) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.321 K(o=-0.32,f=-1.1) USER MOD Single : A 92 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.014) USER MOD Single : A 93 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 137.214 4.861 11.272 1.00 0.00 N ATOM 2 CA GLN A 1 137.699 5.273 9.928 1.00 0.00 C ATOM 3 C GLN A 1 138.236 4.077 9.143 1.00 0.00 C ATOM 4 O GLN A 1 138.814 3.155 9.720 1.00 0.00 O ATOM 5 CB GLN A 1 138.799 6.326 10.105 1.00 0.00 C ATOM 6 CG GLN A 1 138.273 7.752 10.164 1.00 0.00 C ATOM 7 CD GLN A 1 139.374 8.767 10.403 1.00 0.00 C ATOM 8 OE1 GLN A 1 139.833 9.431 9.475 1.00 0.00 O ATOM 9 NE2 GLN A 1 139.805 8.891 11.654 1.00 0.00 N ATOM 0 H1 GLN A 1 137.502 5.569 11.977 1.00 0.00 H new ATOM 0 H2 GLN A 1 136.177 4.787 11.259 1.00 0.00 H new ATOM 0 H3 GLN A 1 137.624 3.938 11.521 1.00 0.00 H new ATOM 0 HA GLN A 1 136.867 5.691 9.362 1.00 0.00 H new ATOM 0 HB2 GLN A 1 139.350 6.113 11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 1 139.507 6.242 9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 1 137.763 7.987 9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 1 137.532 7.830 10.960 1.00 0.00 H new ATOM 0 HE21 GLN A 1 139.396 8.320 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 1 140.545 9.557 11.875 1.00 0.00 H new ATOM 17 N SER A 2 138.040 4.102 7.826 1.00 0.00 N ATOM 18 CA SER A 2 138.502 3.023 6.957 1.00 0.00 C ATOM 19 C SER A 2 139.213 3.583 5.725 1.00 0.00 C ATOM 20 O SER A 2 139.423 4.793 5.621 1.00 0.00 O ATOM 21 CB SER A 2 137.323 2.144 6.530 1.00 0.00 C ATOM 22 OG SER A 2 136.468 1.866 7.626 1.00 0.00 O ATOM 0 H SER A 2 137.563 4.860 7.337 1.00 0.00 H new ATOM 0 HA SER A 2 139.213 2.415 7.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 136.759 2.645 5.743 1.00 0.00 H new ATOM 0 HB3 SER A 2 137.696 1.210 6.110 1.00 0.00 H new ATOM 0 HG SER A 2 135.723 1.305 7.326 1.00 0.00 H new ATOM 28 N ASP A 3 139.580 2.693 4.796 1.00 0.00 N ATOM 29 CA ASP A 3 140.270 3.081 3.563 1.00 0.00 C ATOM 30 C ASP A 3 141.674 3.606 3.857 1.00 0.00 C ATOM 31 O ASP A 3 141.839 4.691 4.417 1.00 0.00 O ATOM 32 CB ASP A 3 139.464 4.135 2.797 1.00 0.00 C ATOM 33 CG ASP A 3 138.352 3.519 1.968 1.00 0.00 C ATOM 34 OD1 ASP A 3 138.663 2.852 0.958 1.00 0.00 O ATOM 35 OD2 ASP A 3 137.172 3.699 2.333 1.00 0.00 O ATOM 0 H ASP A 3 139.408 1.691 4.877 1.00 0.00 H new ATOM 0 HA ASP A 3 140.360 2.190 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 3 139.036 4.846 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 3 140.132 4.697 2.144 1.00 0.00 H new ATOM 40 N VAL A 4 142.682 2.823 3.474 1.00 0.00 N ATOM 41 CA VAL A 4 144.078 3.196 3.692 1.00 0.00 C ATOM 42 C VAL A 4 144.750 3.595 2.378 1.00 0.00 C ATOM 43 O VAL A 4 144.869 2.781 1.461 1.00 0.00 O ATOM 44 CB VAL A 4 144.879 2.042 4.335 1.00 0.00 C ATOM 45 CG1 VAL A 4 146.265 2.516 4.756 1.00 0.00 C ATOM 46 CG2 VAL A 4 144.124 1.459 5.523 1.00 0.00 C ATOM 0 H VAL A 4 142.556 1.924 3.010 1.00 0.00 H new ATOM 0 HA VAL A 4 144.075 4.047 4.373 1.00 0.00 H new ATOM 0 HB VAL A 4 145.001 1.256 3.590 1.00 0.00 H new ATOM 0 HG11 VAL A 4 146.812 1.687 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 4 146.807 2.876 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 4 146.168 3.324 5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 4 144.706 0.648 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 4 143.965 2.236 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 4 143.160 1.075 5.189 1.00 0.00 H new ATOM 56 N ARG A 5 145.193 4.851 2.297 1.00 0.00 N ATOM 57 CA ARG A 5 145.861 5.357 1.098 1.00 0.00 C ATOM 58 C ARG A 5 147.361 5.069 1.159 1.00 0.00 C ATOM 59 O ARG A 5 148.096 5.725 1.900 1.00 0.00 O ATOM 60 CB ARG A 5 145.624 6.864 0.946 1.00 0.00 C ATOM 61 CG ARG A 5 144.444 7.212 0.050 1.00 0.00 C ATOM 62 CD ARG A 5 143.116 7.027 0.771 1.00 0.00 C ATOM 63 NE ARG A 5 142.850 8.106 1.724 1.00 0.00 N ATOM 64 CZ ARG A 5 142.431 9.326 1.375 1.00 0.00 C ATOM 65 NH1 ARG A 5 142.242 9.636 0.094 1.00 0.00 N ATOM 66 NH2 ARG A 5 142.201 10.242 2.311 1.00 0.00 N ATOM 0 H ARG A 5 145.101 5.536 3.047 1.00 0.00 H new ATOM 0 HA ARG A 5 145.440 4.846 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 5 145.460 7.298 1.932 1.00 0.00 H new ATOM 0 HB3 ARG A 5 146.525 7.325 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 5 144.535 8.245 -0.286 1.00 0.00 H new ATOM 0 HG3 ARG A 5 144.465 6.584 -0.840 1.00 0.00 H new ATOM 0 HD2 ARG A 5 142.310 6.984 0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 5 143.120 6.072 1.297 1.00 0.00 H new ATOM 0 HE ARG A 5 142.993 7.915 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 5 142.417 8.940 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 5 141.922 10.570 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 5 142.344 10.013 3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 5 141.881 11.173 2.045 1.00 0.00 H new ATOM 80 N ILE A 6 147.808 4.083 0.382 1.00 0.00 N ATOM 81 CA ILE A 6 149.220 3.705 0.356 1.00 0.00 C ATOM 82 C ILE A 6 149.929 4.295 -0.863 1.00 0.00 C ATOM 83 O ILE A 6 149.598 3.968 -2.005 1.00 0.00 O ATOM 84 CB ILE A 6 149.393 2.169 0.357 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.536 1.537 1.459 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.859 1.795 0.541 1.00 0.00 C ATOM 87 CD1 ILE A 6 148.602 0.025 1.492 1.00 0.00 C ATOM 0 H ILE A 6 147.213 3.532 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 6 149.673 4.111 1.261 1.00 0.00 H new ATOM 0 HB ILE A 6 149.059 1.783 -0.606 1.00 0.00 H new ATOM 0 HG12 ILE A 6 148.857 1.927 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.499 1.843 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.961 0.710 0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 6 151.447 2.216 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 6 151.219 2.191 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 6 147.970 -0.349 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 6 148.252 -0.375 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 6 149.631 -0.291 1.662 1.00 0.00 H new ATOM 99 N LYS A 7 150.910 5.164 -0.610 1.00 0.00 N ATOM 100 CA LYS A 7 151.674 5.802 -1.680 1.00 0.00 C ATOM 101 C LYS A 7 153.100 5.252 -1.726 1.00 0.00 C ATOM 102 O LYS A 7 153.884 5.456 -0.798 1.00 0.00 O ATOM 103 CB LYS A 7 151.700 7.320 -1.481 1.00 0.00 C ATOM 104 CG LYS A 7 152.379 8.075 -2.613 1.00 0.00 C ATOM 105 CD LYS A 7 153.219 9.228 -2.087 1.00 0.00 C ATOM 106 CE LYS A 7 153.098 10.461 -2.970 1.00 0.00 C ATOM 107 NZ LYS A 7 151.771 11.125 -2.826 1.00 0.00 N ATOM 0 H LYS A 7 151.193 5.441 0.330 1.00 0.00 H new ATOM 0 HA LYS A 7 151.187 5.579 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 7 150.677 7.681 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 7 152.213 7.546 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 7 153.011 7.392 -3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 7 151.625 8.457 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 7 152.904 9.474 -1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 7 154.264 8.921 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 7 153.887 11.169 -2.714 1.00 0.00 H new ATOM 0 HE3 LYS A 7 153.250 10.177 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 151.805 12.067 -3.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 151.042 10.550 -3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 151.539 11.221 -1.817 1.00 0.00 H new ATOM 121 N PHE A 8 153.427 4.550 -2.809 1.00 0.00 N ATOM 122 CA PHE A 8 154.758 3.967 -2.974 1.00 0.00 C ATOM 123 C PHE A 8 155.476 4.561 -4.183 1.00 0.00 C ATOM 124 O PHE A 8 154.846 4.892 -5.189 1.00 0.00 O ATOM 125 CB PHE A 8 154.660 2.443 -3.114 1.00 0.00 C ATOM 126 CG PHE A 8 153.637 1.984 -4.120 1.00 0.00 C ATOM 127 CD1 PHE A 8 152.320 1.774 -3.742 1.00 0.00 C ATOM 128 CD2 PHE A 8 153.996 1.757 -5.439 1.00 0.00 C ATOM 129 CE1 PHE A 8 151.381 1.350 -4.662 1.00 0.00 C ATOM 130 CE2 PHE A 8 153.061 1.332 -6.363 1.00 0.00 C ATOM 131 CZ PHE A 8 151.752 1.128 -5.974 1.00 0.00 C ATOM 0 H PHE A 8 152.790 4.371 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 8 155.340 4.205 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 8 155.636 2.051 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 8 154.416 2.014 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 8 152.025 1.944 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 8 155.019 1.914 -5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 8 150.357 1.192 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 8 153.354 1.160 -7.388 1.00 0.00 H new ATOM 0 HZ PHE A 8 151.019 0.795 -6.694 1.00 0.00 H new ATOM 141 N GLU A 9 156.799 4.693 -4.077 1.00 0.00 N ATOM 142 CA GLU A 9 157.604 5.247 -5.163 1.00 0.00 C ATOM 143 C GLU A 9 158.775 4.330 -5.511 1.00 0.00 C ATOM 144 O GLU A 9 159.364 3.692 -4.635 1.00 0.00 O ATOM 145 CB GLU A 9 158.125 6.638 -4.790 1.00 0.00 C ATOM 146 CG GLU A 9 158.842 7.342 -5.934 1.00 0.00 C ATOM 147 CD GLU A 9 159.114 8.807 -5.652 1.00 0.00 C ATOM 148 OE1 GLU A 9 158.151 9.547 -5.360 1.00 0.00 O ATOM 149 OE2 GLU A 9 160.292 9.216 -5.730 1.00 0.00 O ATOM 0 H GLU A 9 157.334 4.424 -3.251 1.00 0.00 H new ATOM 0 HA GLU A 9 156.962 5.329 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 9 157.289 7.255 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 9 158.807 6.548 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 9 159.786 6.834 -6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 9 158.240 7.258 -6.839 1.00 0.00 H new ATOM 156 N HIS A 10 159.105 4.276 -6.799 1.00 0.00 N ATOM 157 CA HIS A 10 160.201 3.449 -7.283 1.00 0.00 C ATOM 158 C HIS A 10 160.939 4.152 -8.424 1.00 0.00 C ATOM 159 O HIS A 10 160.379 4.350 -9.504 1.00 0.00 O ATOM 160 CB HIS A 10 159.666 2.092 -7.751 1.00 0.00 C ATOM 161 CG HIS A 10 160.734 1.129 -8.165 1.00 0.00 C ATOM 162 ND1 HIS A 10 160.562 0.210 -9.176 1.00 0.00 N ATOM 163 CD2 HIS A 10 161.992 0.944 -7.701 1.00 0.00 C ATOM 164 CE1 HIS A 10 161.667 -0.499 -9.316 1.00 0.00 C ATOM 165 NE2 HIS A 10 162.552 -0.073 -8.433 1.00 0.00 N ATOM 0 H HIS A 10 158.623 4.801 -7.529 1.00 0.00 H new ATOM 0 HA HIS A 10 160.905 3.288 -6.466 1.00 0.00 H new ATOM 0 HB2 HIS A 10 159.081 1.646 -6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 10 158.988 2.250 -8.590 1.00 0.00 H new ATOM 0 HD2 HIS A 10 162.467 1.495 -6.903 1.00 0.00 H new ATOM 0 HE1 HIS A 10 161.821 -1.293 -10.032 1.00 0.00 H new ATOM 0 HE2 HIS A 10 163.496 -0.440 -8.315 1.00 0.00 H new ATOM 174 N ASN A 11 162.194 4.530 -8.170 1.00 0.00 N ATOM 175 CA ASN A 11 163.021 5.219 -9.166 1.00 0.00 C ATOM 176 C ASN A 11 162.354 6.514 -9.641 1.00 0.00 C ATOM 177 O ASN A 11 162.404 6.854 -10.825 1.00 0.00 O ATOM 178 CB ASN A 11 163.303 4.300 -10.362 1.00 0.00 C ATOM 179 CG ASN A 11 164.334 3.232 -10.048 1.00 0.00 C ATOM 180 OD1 ASN A 11 164.177 2.461 -9.101 1.00 0.00 O ATOM 181 ND2 ASN A 11 165.397 3.176 -10.845 1.00 0.00 N ATOM 0 H ASN A 11 162.663 4.370 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 11 163.967 5.478 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 11 162.375 3.822 -10.675 1.00 0.00 H new ATOM 0 HB3 ASN A 11 163.652 4.900 -11.202 1.00 0.00 H new ATOM 0 HD21 ASN A 11 166.120 2.475 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 11 165.489 3.834 -11.619 1.00 0.00 H new ATOM 188 N GLY A 12 161.728 7.233 -8.707 1.00 0.00 N ATOM 189 CA GLY A 12 161.058 8.480 -9.045 1.00 0.00 C ATOM 190 C GLY A 12 159.607 8.290 -9.470 1.00 0.00 C ATOM 191 O GLY A 12 158.847 9.258 -9.530 1.00 0.00 O ATOM 0 H GLY A 12 161.674 6.973 -7.722 1.00 0.00 H new ATOM 0 HA2 GLY A 12 161.092 9.148 -8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 12 161.604 8.971 -9.851 1.00 0.00 H new ATOM 195 N GLU A 13 159.217 7.046 -9.762 1.00 0.00 N ATOM 196 CA GLU A 13 157.850 6.747 -10.179 1.00 0.00 C ATOM 197 C GLU A 13 156.954 6.522 -8.964 1.00 0.00 C ATOM 198 O GLU A 13 157.011 5.468 -8.327 1.00 0.00 O ATOM 199 CB GLU A 13 157.833 5.511 -11.084 1.00 0.00 C ATOM 200 CG GLU A 13 156.534 5.323 -11.852 1.00 0.00 C ATOM 201 CD GLU A 13 156.646 4.252 -12.921 1.00 0.00 C ATOM 202 OE1 GLU A 13 156.656 3.055 -12.564 1.00 0.00 O ATOM 203 OE2 GLU A 13 156.720 4.610 -14.115 1.00 0.00 O ATOM 0 H GLU A 13 159.830 6.232 -9.716 1.00 0.00 H new ATOM 0 HA GLU A 13 157.465 7.600 -10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 13 158.656 5.583 -11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 13 158.014 4.625 -10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 13 155.739 5.057 -11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 13 156.249 6.267 -12.316 1.00 0.00 H new ATOM 210 N ARG A 14 156.133 7.522 -8.644 1.00 0.00 N ATOM 211 CA ARG A 14 155.229 7.436 -7.497 1.00 0.00 C ATOM 212 C ARG A 14 153.862 6.889 -7.908 1.00 0.00 C ATOM 213 O ARG A 14 153.340 7.227 -8.971 1.00 0.00 O ATOM 214 CB ARG A 14 155.068 8.808 -6.829 1.00 0.00 C ATOM 215 CG ARG A 14 154.616 9.912 -7.773 1.00 0.00 C ATOM 216 CD ARG A 14 155.671 11.000 -7.901 1.00 0.00 C ATOM 217 NE ARG A 14 155.262 12.059 -8.822 1.00 0.00 N ATOM 218 CZ ARG A 14 156.041 13.086 -9.170 1.00 0.00 C ATOM 219 NH1 ARG A 14 157.273 13.197 -8.679 1.00 0.00 N ATOM 220 NH2 ARG A 14 155.585 14.006 -10.013 1.00 0.00 N ATOM 0 H ARG A 14 156.075 8.399 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 14 155.672 6.745 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 14 154.346 8.722 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 14 156.019 9.095 -6.381 1.00 0.00 H new ATOM 0 HG2 ARG A 14 154.406 9.489 -8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 14 153.686 10.347 -7.408 1.00 0.00 H new ATOM 0 HD2 ARG A 14 155.868 11.430 -6.919 1.00 0.00 H new ATOM 0 HD3 ARG A 14 156.605 10.559 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 14 154.325 12.010 -9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 14 157.629 12.494 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 14 157.861 13.985 -8.950 1.00 0.00 H new ATOM 0 HH21 ARG A 14 154.642 13.927 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 14 156.178 14.792 -10.280 1.00 0.00 H new ATOM 234 N ARG A 15 153.292 6.040 -7.052 1.00 0.00 N ATOM 235 CA ARG A 15 151.986 5.437 -7.311 1.00 0.00 C ATOM 236 C ARG A 15 151.101 5.493 -6.067 1.00 0.00 C ATOM 237 O ARG A 15 151.568 5.255 -4.951 1.00 0.00 O ATOM 238 CB ARG A 15 152.155 3.985 -7.766 1.00 0.00 C ATOM 239 CG ARG A 15 151.994 3.789 -9.264 1.00 0.00 C ATOM 240 CD ARG A 15 152.101 2.321 -9.647 1.00 0.00 C ATOM 241 NE ARG A 15 151.789 2.096 -11.058 1.00 0.00 N ATOM 242 CZ ARG A 15 152.648 2.313 -12.058 1.00 0.00 C ATOM 243 NH1 ARG A 15 153.873 2.769 -11.808 1.00 0.00 N ATOM 244 NH2 ARG A 15 152.280 2.074 -13.312 1.00 0.00 N ATOM 0 H ARG A 15 153.717 5.754 -6.170 1.00 0.00 H new ATOM 0 HA ARG A 15 151.501 6.007 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 15 153.142 3.633 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 15 151.425 3.364 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 15 151.027 4.180 -9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 15 152.758 4.361 -9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 15 153.110 1.965 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 15 151.422 1.735 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 15 150.858 1.752 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 15 154.162 2.955 -10.848 1.00 0.00 H new ATOM 0 HH12 ARG A 15 154.523 2.932 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 15 151.342 1.725 -13.511 1.00 0.00 H new ATOM 0 HH22 ARG A 15 152.935 2.239 -14.076 1.00 0.00 H new ATOM 258 N ILE A 16 149.822 5.809 -6.268 1.00 0.00 N ATOM 259 CA ILE A 16 148.865 5.900 -5.166 1.00 0.00 C ATOM 260 C ILE A 16 147.749 4.868 -5.319 1.00 0.00 C ATOM 261 O ILE A 16 147.054 4.839 -6.336 1.00 0.00 O ATOM 262 CB ILE A 16 148.236 7.309 -5.079 1.00 0.00 C ATOM 263 CG1 ILE A 16 149.322 8.389 -5.093 1.00 0.00 C ATOM 264 CG2 ILE A 16 147.375 7.433 -3.828 1.00 0.00 C ATOM 265 CD1 ILE A 16 149.034 9.523 -6.053 1.00 0.00 C ATOM 0 H ILE A 16 149.424 6.007 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 16 149.420 5.700 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 16 147.599 7.454 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 16 149.433 8.794 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 16 150.275 7.931 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 16 146.940 8.431 -3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 16 146.577 6.691 -3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 16 147.991 7.265 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 16 149.844 10.251 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 16 148.952 9.130 -7.066 1.00 0.00 H new ATOM 0 HD13 ILE A 16 148.097 10.006 -5.775 1.00 0.00 H new ATOM 277 N ILE A 17 147.579 4.024 -4.299 1.00 0.00 N ATOM 278 CA ILE A 17 146.542 2.994 -4.318 1.00 0.00 C ATOM 279 C ILE A 17 145.813 2.919 -2.977 1.00 0.00 C ATOM 280 O ILE A 17 146.444 2.890 -1.918 1.00 0.00 O ATOM 281 CB ILE A 17 147.122 1.602 -4.652 1.00 0.00 C ATOM 282 CG1 ILE A 17 147.982 1.667 -5.918 1.00 0.00 C ATOM 283 CG2 ILE A 17 145.998 0.587 -4.823 1.00 0.00 C ATOM 284 CD1 ILE A 17 148.552 0.327 -6.332 1.00 0.00 C ATOM 0 H ILE A 17 148.146 4.035 -3.451 1.00 0.00 H new ATOM 0 HA ILE A 17 145.837 3.279 -5.099 1.00 0.00 H new ATOM 0 HB ILE A 17 147.755 1.284 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 17 147.381 2.065 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 17 148.802 2.367 -5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 17 146.422 -0.389 -5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 17 145.424 0.520 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 17 145.343 0.903 -5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 17 149.150 0.449 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 17 149.180 -0.064 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 17 147.737 -0.370 -6.527 1.00 0.00 H new ATOM 296 N ALA A 18 144.483 2.883 -3.034 1.00 0.00 N ATOM 297 CA ALA A 18 143.662 2.807 -1.830 1.00 0.00 C ATOM 298 C ALA A 18 143.134 1.390 -1.615 1.00 0.00 C ATOM 299 O ALA A 18 142.680 0.737 -2.556 1.00 0.00 O ATOM 300 CB ALA A 18 142.506 3.794 -1.915 1.00 0.00 C ATOM 0 H ALA A 18 143.951 2.905 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 18 144.287 3.069 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 18 141.902 3.726 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 18 142.898 4.806 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 18 141.889 3.557 -2.782 1.00 0.00 H new ATOM 306 N PHE A 19 143.197 0.923 -0.369 1.00 0.00 N ATOM 307 CA PHE A 19 142.724 -0.416 -0.025 1.00 0.00 C ATOM 308 C PHE A 19 141.690 -0.354 1.097 1.00 0.00 C ATOM 309 O PHE A 19 141.948 0.213 2.161 1.00 0.00 O ATOM 310 CB PHE A 19 143.896 -1.307 0.392 1.00 0.00 C ATOM 311 CG PHE A 19 144.846 -1.619 -0.732 1.00 0.00 C ATOM 312 CD1 PHE A 19 144.506 -2.542 -1.709 1.00 0.00 C ATOM 313 CD2 PHE A 19 146.078 -0.989 -0.810 1.00 0.00 C ATOM 314 CE1 PHE A 19 145.377 -2.828 -2.743 1.00 0.00 C ATOM 315 CE2 PHE A 19 146.952 -1.272 -1.841 1.00 0.00 C ATOM 316 CZ PHE A 19 146.602 -2.194 -2.808 1.00 0.00 C ATOM 0 H PHE A 19 143.571 1.452 0.419 1.00 0.00 H new ATOM 0 HA PHE A 19 142.252 -0.845 -0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 19 144.446 -0.817 1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 19 143.505 -2.241 0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 19 143.550 -3.043 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 19 146.358 -0.268 -0.056 1.00 0.00 H new ATOM 0 HE1 PHE A 19 145.100 -3.547 -3.500 1.00 0.00 H new ATOM 0 HE2 PHE A 19 147.908 -0.773 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 19 147.285 -2.419 -3.614 1.00 0.00 H new ATOM 326 N SER A 20 140.520 -0.941 0.850 1.00 0.00 N ATOM 327 CA SER A 20 139.441 -0.956 1.835 1.00 0.00 C ATOM 328 C SER A 20 139.775 -1.891 2.995 1.00 0.00 C ATOM 329 O SER A 20 140.066 -3.071 2.788 1.00 0.00 O ATOM 330 CB SER A 20 138.127 -1.386 1.177 1.00 0.00 C ATOM 331 OG SER A 20 138.033 -0.893 -0.150 1.00 0.00 O ATOM 0 H SER A 20 140.295 -1.413 -0.026 1.00 0.00 H new ATOM 0 HA SER A 20 139.328 0.054 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 20 138.060 -2.474 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 137.286 -1.019 1.765 1.00 0.00 H new ATOM 0 HG SER A 20 137.186 -1.183 -0.548 1.00 0.00 H new ATOM 337 N ARG A 21 139.731 -1.358 4.214 1.00 0.00 N ATOM 338 CA ARG A 21 140.031 -2.146 5.407 1.00 0.00 C ATOM 339 C ARG A 21 138.897 -3.122 5.720 1.00 0.00 C ATOM 340 O ARG A 21 137.726 -2.821 5.479 1.00 0.00 O ATOM 341 CB ARG A 21 140.274 -1.227 6.608 1.00 0.00 C ATOM 342 CG ARG A 21 141.745 -1.060 6.954 1.00 0.00 C ATOM 343 CD ARG A 21 141.938 -0.721 8.423 1.00 0.00 C ATOM 344 NE ARG A 21 142.016 0.722 8.649 1.00 0.00 N ATOM 345 CZ ARG A 21 141.820 1.302 9.835 1.00 0.00 C ATOM 346 NH1 ARG A 21 141.533 0.569 10.907 1.00 0.00 N ATOM 347 NH2 ARG A 21 141.913 2.622 9.950 1.00 0.00 N ATOM 0 H ARG A 21 139.491 -0.385 4.401 1.00 0.00 H new ATOM 0 HA ARG A 21 140.936 -2.721 5.209 1.00 0.00 H new ATOM 0 HB2 ARG A 21 139.844 -0.247 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 21 139.748 -1.627 7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 21 142.282 -1.979 6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 21 142.177 -0.272 6.338 1.00 0.00 H new ATOM 0 HD2 ARG A 21 141.112 -1.134 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 21 142.850 -1.194 8.787 1.00 0.00 H new ATOM 0 HE ARG A 21 142.233 1.321 7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 21 141.461 -0.445 10.827 1.00 0.00 H new ATOM 0 HH12 ARG A 21 141.385 1.021 11.809 1.00 0.00 H new ATOM 0 HH21 ARG A 21 142.134 3.191 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 141.763 3.067 10.856 1.00 0.00 H new ATOM 361 N PRO A 22 139.228 -4.311 6.264 1.00 0.00 N ATOM 362 CA PRO A 22 140.610 -4.713 6.568 1.00 0.00 C ATOM 363 C PRO A 22 141.402 -5.086 5.313 1.00 0.00 C ATOM 364 O PRO A 22 140.949 -5.894 4.501 1.00 0.00 O ATOM 365 CB PRO A 22 140.442 -5.946 7.475 1.00 0.00 C ATOM 366 CG PRO A 22 138.978 -6.047 7.764 1.00 0.00 C ATOM 367 CD PRO A 22 138.277 -5.363 6.629 1.00 0.00 C ATOM 0 HA PRO A 22 141.170 -3.900 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 22 140.805 -6.847 6.981 1.00 0.00 H new ATOM 0 HB3 PRO A 22 141.015 -5.835 8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 22 138.668 -7.089 7.841 1.00 0.00 H new ATOM 0 HG3 PRO A 22 138.735 -5.571 8.714 1.00 0.00 H new ATOM 0 HD2 PRO A 22 138.086 -6.044 5.800 1.00 0.00 H new ATOM 0 HD3 PRO A 22 137.314 -4.953 6.934 1.00 0.00 H new ATOM 375 N VAL A 23 142.591 -4.497 5.165 1.00 0.00 N ATOM 376 CA VAL A 23 143.448 -4.770 4.011 1.00 0.00 C ATOM 377 C VAL A 23 144.500 -5.834 4.340 1.00 0.00 C ATOM 378 O VAL A 23 145.190 -5.745 5.356 1.00 0.00 O ATOM 379 CB VAL A 23 144.152 -3.488 3.508 1.00 0.00 C ATOM 380 CG1 VAL A 23 145.070 -2.910 4.579 1.00 0.00 C ATOM 381 CG2 VAL A 23 144.927 -3.768 2.229 1.00 0.00 C ATOM 0 H VAL A 23 142.981 -3.829 5.830 1.00 0.00 H new ATOM 0 HA VAL A 23 142.799 -5.145 3.219 1.00 0.00 H new ATOM 0 HB VAL A 23 143.384 -2.746 3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 23 145.552 -2.010 4.198 1.00 0.00 H new ATOM 0 HG12 VAL A 23 144.485 -2.662 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 23 145.831 -3.645 4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 23 145.415 -2.854 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 23 145.681 -4.532 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 23 144.242 -4.119 1.458 1.00 0.00 H new ATOM 391 N LYS A 24 144.613 -6.839 3.472 1.00 0.00 N ATOM 392 CA LYS A 24 145.578 -7.921 3.667 1.00 0.00 C ATOM 393 C LYS A 24 146.920 -7.582 3.020 1.00 0.00 C ATOM 394 O LYS A 24 146.964 -7.028 1.920 1.00 0.00 O ATOM 395 CB LYS A 24 145.040 -9.231 3.080 1.00 0.00 C ATOM 396 CG LYS A 24 143.678 -9.636 3.623 1.00 0.00 C ATOM 397 CD LYS A 24 143.765 -10.098 5.070 1.00 0.00 C ATOM 398 CE LYS A 24 142.665 -9.480 5.919 1.00 0.00 C ATOM 399 NZ LYS A 24 142.937 -8.048 6.231 1.00 0.00 N ATOM 0 H LYS A 24 144.048 -6.927 2.627 1.00 0.00 H new ATOM 0 HA LYS A 24 145.729 -8.043 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 24 144.974 -9.132 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 24 145.754 -10.029 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 24 142.992 -8.792 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 24 143.265 -10.436 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 24 143.691 -11.185 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 24 144.738 -9.829 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 24 141.713 -9.562 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 24 142.566 -10.041 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 142.666 -7.850 7.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 143.950 -7.852 6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 142.385 -7.442 5.591 1.00 0.00 H new ATOM 413 N TYR A 25 148.012 -7.925 3.706 1.00 0.00 N ATOM 414 CA TYR A 25 149.359 -7.662 3.195 1.00 0.00 C ATOM 415 C TYR A 25 149.581 -8.355 1.851 1.00 0.00 C ATOM 416 O TYR A 25 150.117 -7.755 0.918 1.00 0.00 O ATOM 417 CB TYR A 25 150.417 -8.130 4.200 1.00 0.00 C ATOM 418 CG TYR A 25 151.837 -7.788 3.793 1.00 0.00 C ATOM 419 CD1 TYR A 25 152.402 -6.564 4.129 1.00 0.00 C ATOM 420 CD2 TYR A 25 152.612 -8.691 3.073 1.00 0.00 C ATOM 421 CE1 TYR A 25 153.694 -6.248 3.758 1.00 0.00 C ATOM 422 CE2 TYR A 25 153.905 -8.382 2.700 1.00 0.00 C ATOM 423 CZ TYR A 25 154.442 -7.160 3.045 1.00 0.00 C ATOM 424 OH TYR A 25 155.730 -6.848 2.674 1.00 0.00 O ATOM 0 H TYR A 25 147.990 -8.385 4.616 1.00 0.00 H new ATOM 0 HA TYR A 25 149.455 -6.586 3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 25 150.208 -7.680 5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 25 150.334 -9.210 4.325 1.00 0.00 H new ATOM 0 HD1 TYR A 25 151.821 -5.847 4.690 1.00 0.00 H new ATOM 0 HD2 TYR A 25 152.196 -9.650 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 25 154.116 -5.291 4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 25 154.493 -9.094 2.140 1.00 0.00 H new ATOM 0 HH TYR A 25 156.271 -6.685 3.475 1.00 0.00 H new ATOM 434 N GLU A 26 149.166 -9.620 1.760 1.00 0.00 N ATOM 435 CA GLU A 26 149.320 -10.391 0.529 1.00 0.00 C ATOM 436 C GLU A 26 148.612 -9.706 -0.636 1.00 0.00 C ATOM 437 O GLU A 26 149.118 -9.695 -1.758 1.00 0.00 O ATOM 438 CB GLU A 26 148.767 -11.808 0.706 1.00 0.00 C ATOM 439 CG GLU A 26 149.846 -12.865 0.881 1.00 0.00 C ATOM 440 CD GLU A 26 149.527 -13.848 1.990 1.00 0.00 C ATOM 441 OE1 GLU A 26 148.714 -14.766 1.755 1.00 0.00 O ATOM 442 OE2 GLU A 26 150.090 -13.697 3.095 1.00 0.00 O ATOM 0 H GLU A 26 148.722 -10.130 2.524 1.00 0.00 H new ATOM 0 HA GLU A 26 150.385 -10.450 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 26 148.108 -11.826 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 26 148.158 -12.062 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 26 149.972 -13.408 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 26 150.796 -12.376 1.096 1.00 0.00 H new ATOM 449 N ASP A 27 147.440 -9.133 -0.362 1.00 0.00 N ATOM 450 CA ASP A 27 146.668 -8.444 -1.390 1.00 0.00 C ATOM 451 C ASP A 27 147.408 -7.206 -1.894 1.00 0.00 C ATOM 452 O ASP A 27 147.473 -6.963 -3.099 1.00 0.00 O ATOM 453 CB ASP A 27 145.291 -8.046 -0.851 1.00 0.00 C ATOM 454 CG ASP A 27 144.228 -8.016 -1.934 1.00 0.00 C ATOM 455 OD1 ASP A 27 144.142 -8.991 -2.712 1.00 0.00 O ATOM 456 OD2 ASP A 27 143.481 -7.019 -2.003 1.00 0.00 O ATOM 0 H ASP A 27 147.007 -9.133 0.562 1.00 0.00 H new ATOM 0 HA ASP A 27 146.536 -9.131 -2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 27 144.992 -8.748 -0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 27 145.357 -7.063 -0.385 1.00 0.00 H new ATOM 461 N VAL A 28 147.966 -6.428 -0.966 1.00 0.00 N ATOM 462 CA VAL A 28 148.700 -5.216 -1.327 1.00 0.00 C ATOM 463 C VAL A 28 149.996 -5.562 -2.058 1.00 0.00 C ATOM 464 O VAL A 28 150.284 -5.011 -3.123 1.00 0.00 O ATOM 465 CB VAL A 28 149.031 -4.357 -0.086 1.00 0.00 C ATOM 466 CG1 VAL A 28 149.634 -3.022 -0.501 1.00 0.00 C ATOM 467 CG2 VAL A 28 147.787 -4.147 0.766 1.00 0.00 C ATOM 0 H VAL A 28 147.924 -6.614 0.036 1.00 0.00 H new ATOM 0 HA VAL A 28 148.052 -4.639 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 28 149.769 -4.890 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 28 149.860 -2.433 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 150.551 -3.196 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 28 148.923 -2.480 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 28 148.040 -3.540 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 28 147.024 -3.638 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 28 147.405 -5.113 1.097 1.00 0.00 H new ATOM 477 N GLU A 29 150.767 -6.485 -1.483 1.00 0.00 N ATOM 478 CA GLU A 29 152.031 -6.918 -2.077 1.00 0.00 C ATOM 479 C GLU A 29 151.814 -7.500 -3.474 1.00 0.00 C ATOM 480 O GLU A 29 152.588 -7.233 -4.394 1.00 0.00 O ATOM 481 CB GLU A 29 152.706 -7.956 -1.178 1.00 0.00 C ATOM 482 CG GLU A 29 154.151 -8.244 -1.558 1.00 0.00 C ATOM 483 CD GLU A 29 154.613 -9.628 -1.136 1.00 0.00 C ATOM 484 OE1 GLU A 29 154.187 -10.098 -0.059 1.00 0.00 O ATOM 485 OE2 GLU A 29 155.405 -10.241 -1.883 1.00 0.00 O ATOM 0 H GLU A 29 150.537 -6.948 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 29 152.678 -6.045 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 29 152.673 -7.607 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 29 152.137 -8.885 -1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 29 154.264 -8.143 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 154.797 -7.496 -1.099 1.00 0.00 H new ATOM 492 N HIS A 30 150.753 -8.296 -3.623 1.00 0.00 N ATOM 493 CA HIS A 30 150.428 -8.917 -4.906 1.00 0.00 C ATOM 494 C HIS A 30 150.238 -7.860 -5.993 1.00 0.00 C ATOM 495 O HIS A 30 150.699 -8.031 -7.123 1.00 0.00 O ATOM 496 CB HIS A 30 149.155 -9.762 -4.776 1.00 0.00 C ATOM 497 CG HIS A 30 148.836 -10.570 -5.998 1.00 0.00 C ATOM 498 ND1 HIS A 30 149.546 -11.695 -6.364 1.00 0.00 N ATOM 499 CD2 HIS A 30 147.871 -10.416 -6.937 1.00 0.00 C ATOM 500 CE1 HIS A 30 149.032 -12.196 -7.473 1.00 0.00 C ATOM 501 NE2 HIS A 30 148.014 -11.440 -7.841 1.00 0.00 N ATOM 0 H HIS A 30 150.105 -8.525 -2.870 1.00 0.00 H new ATOM 0 HA HIS A 30 151.261 -9.560 -5.191 1.00 0.00 H new ATOM 0 HB2 HIS A 30 149.262 -10.435 -3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 30 148.314 -9.104 -4.558 1.00 0.00 H new ATOM 0 HD2 HIS A 30 147.128 -9.633 -6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 30 149.385 -13.075 -7.991 1.00 0.00 H new ATOM 0 HE2 HIS A 30 147.429 -11.592 -8.663 1.00 0.00 H new ATOM 510 N LYS A 31 149.561 -6.767 -5.643 1.00 0.00 N ATOM 511 CA LYS A 31 149.314 -5.680 -6.588 1.00 0.00 C ATOM 512 C LYS A 31 150.622 -5.033 -7.042 1.00 0.00 C ATOM 513 O LYS A 31 150.837 -4.832 -8.236 1.00 0.00 O ATOM 514 CB LYS A 31 148.400 -4.623 -5.960 1.00 0.00 C ATOM 515 CG LYS A 31 147.375 -4.051 -6.928 1.00 0.00 C ATOM 516 CD LYS A 31 146.246 -3.349 -6.191 1.00 0.00 C ATOM 517 CE LYS A 31 145.038 -3.130 -7.088 1.00 0.00 C ATOM 518 NZ LYS A 31 143.757 -3.215 -6.330 1.00 0.00 N ATOM 0 H LYS A 31 149.174 -6.611 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 31 148.821 -6.105 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 31 147.878 -5.064 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 31 149.013 -3.810 -5.571 1.00 0.00 H new ATOM 0 HG2 LYS A 31 147.863 -3.348 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 146.967 -4.853 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 31 145.953 -3.942 -5.325 1.00 0.00 H new ATOM 0 HD3 LYS A 31 146.599 -2.389 -5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 31 145.113 -2.153 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 31 145.038 -3.874 -7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 142.959 -3.060 -6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 143.672 -4.156 -5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 143.745 -2.488 -5.586 1.00 0.00 H new ATOM 532 N VAL A 32 151.491 -4.711 -6.085 1.00 0.00 N ATOM 533 CA VAL A 32 152.776 -4.084 -6.400 1.00 0.00 C ATOM 534 C VAL A 32 153.641 -5.003 -7.260 1.00 0.00 C ATOM 535 O VAL A 32 154.282 -4.554 -8.212 1.00 0.00 O ATOM 536 CB VAL A 32 153.559 -3.706 -5.124 1.00 0.00 C ATOM 537 CG1 VAL A 32 154.806 -2.911 -5.480 1.00 0.00 C ATOM 538 CG2 VAL A 32 152.675 -2.923 -4.163 1.00 0.00 C ATOM 0 H VAL A 32 151.331 -4.872 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 32 152.549 -3.174 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 32 153.870 -4.625 -4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 32 155.346 -2.653 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 32 155.448 -3.511 -6.125 1.00 0.00 H new ATOM 0 HG13 VAL A 32 154.519 -1.998 -6.002 1.00 0.00 H new ATOM 0 HG21 VAL A 32 153.246 -2.666 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 32 152.330 -2.010 -4.648 1.00 0.00 H new ATOM 0 HG23 VAL A 32 151.815 -3.531 -3.882 1.00 0.00 H new ATOM 548 N THR A 33 153.651 -6.289 -6.915 1.00 0.00 N ATOM 549 CA THR A 33 154.434 -7.276 -7.650 1.00 0.00 C ATOM 550 C THR A 33 153.913 -7.444 -9.079 1.00 0.00 C ATOM 551 O THR A 33 154.699 -7.592 -10.014 1.00 0.00 O ATOM 552 CB THR A 33 154.418 -8.620 -6.915 1.00 0.00 C ATOM 553 OG1 THR A 33 154.940 -8.477 -5.606 1.00 0.00 O ATOM 554 CG2 THR A 33 155.222 -9.700 -7.613 1.00 0.00 C ATOM 0 H THR A 33 153.124 -6.671 -6.129 1.00 0.00 H new ATOM 0 HA THR A 33 155.461 -6.917 -7.708 1.00 0.00 H new ATOM 0 HB THR A 33 153.372 -8.926 -6.897 1.00 0.00 H new ATOM 0 HG1 THR A 33 154.267 -8.058 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 33 155.167 -10.624 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 33 154.816 -9.869 -8.610 1.00 0.00 H new ATOM 0 HG23 THR A 33 156.262 -9.385 -7.693 1.00 0.00 H new ATOM 562 N THR A 34 152.586 -7.420 -9.246 1.00 0.00 N ATOM 563 CA THR A 34 151.978 -7.569 -10.570 1.00 0.00 C ATOM 564 C THR A 34 152.207 -6.325 -11.431 1.00 0.00 C ATOM 565 O THR A 34 152.550 -6.437 -12.608 1.00 0.00 O ATOM 566 CB THR A 34 150.475 -7.860 -10.459 1.00 0.00 C ATOM 567 OG1 THR A 34 150.244 -9.024 -9.686 1.00 0.00 O ATOM 568 CG2 THR A 34 149.805 -8.067 -11.804 1.00 0.00 C ATOM 0 H THR A 34 151.917 -7.300 -8.485 1.00 0.00 H new ATOM 0 HA THR A 34 152.463 -8.417 -11.054 1.00 0.00 H new ATOM 0 HB THR A 34 150.045 -6.978 -9.985 1.00 0.00 H new ATOM 0 HG1 THR A 34 150.374 -8.817 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 34 148.744 -8.268 -11.655 1.00 0.00 H new ATOM 0 HG22 THR A 34 149.922 -7.169 -12.411 1.00 0.00 H new ATOM 0 HG23 THR A 34 150.267 -8.912 -12.314 1.00 0.00 H new ATOM 576 N VAL A 35 152.011 -5.141 -10.844 1.00 0.00 N ATOM 577 CA VAL A 35 152.195 -3.887 -11.578 1.00 0.00 C ATOM 578 C VAL A 35 153.629 -3.751 -12.090 1.00 0.00 C ATOM 579 O VAL A 35 153.848 -3.464 -13.268 1.00 0.00 O ATOM 580 CB VAL A 35 151.846 -2.654 -10.713 1.00 0.00 C ATOM 581 CG1 VAL A 35 151.998 -1.371 -11.521 1.00 0.00 C ATOM 582 CG2 VAL A 35 150.434 -2.768 -10.151 1.00 0.00 C ATOM 0 H VAL A 35 151.727 -5.025 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 35 151.510 -3.922 -12.425 1.00 0.00 H new ATOM 0 HB VAL A 35 152.544 -2.619 -9.876 1.00 0.00 H new ATOM 0 HG11 VAL A 35 151.748 -0.515 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 153.027 -1.279 -11.867 1.00 0.00 H new ATOM 0 HG13 VAL A 35 151.328 -1.400 -12.380 1.00 0.00 H new ATOM 0 HG21 VAL A 35 150.211 -1.889 -9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 35 149.720 -2.834 -10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 150.360 -3.663 -9.533 1.00 0.00 H new ATOM 592 N PHE A 36 154.601 -3.956 -11.200 1.00 0.00 N ATOM 593 CA PHE A 36 156.014 -3.852 -11.569 1.00 0.00 C ATOM 594 C PHE A 36 156.512 -5.119 -12.269 1.00 0.00 C ATOM 595 O PHE A 36 157.465 -5.067 -13.047 1.00 0.00 O ATOM 596 CB PHE A 36 156.874 -3.577 -10.333 1.00 0.00 C ATOM 597 CG PHE A 36 156.607 -2.243 -9.690 1.00 0.00 C ATOM 598 CD1 PHE A 36 156.535 -1.086 -10.452 1.00 0.00 C ATOM 599 CD2 PHE A 36 156.433 -2.149 -8.320 1.00 0.00 C ATOM 600 CE1 PHE A 36 156.292 0.137 -9.857 1.00 0.00 C ATOM 601 CE2 PHE A 36 156.190 -0.929 -7.721 1.00 0.00 C ATOM 602 CZ PHE A 36 156.121 0.215 -8.490 1.00 0.00 C ATOM 0 H PHE A 36 154.437 -4.194 -10.222 1.00 0.00 H new ATOM 0 HA PHE A 36 156.104 -3.019 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 36 156.701 -4.364 -9.599 1.00 0.00 H new ATOM 0 HB3 PHE A 36 157.926 -3.630 -10.615 1.00 0.00 H new ATOM 0 HD1 PHE A 36 156.670 -1.142 -11.522 1.00 0.00 H new ATOM 0 HD2 PHE A 36 156.488 -3.040 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 36 156.236 1.031 -10.461 1.00 0.00 H new ATOM 0 HE2 PHE A 36 156.054 -0.870 -6.651 1.00 0.00 H new ATOM 0 HZ PHE A 36 155.933 1.170 -8.022 1.00 0.00 H new ATOM 612 N GLY A 37 155.874 -6.254 -11.980 1.00 0.00 N ATOM 613 CA GLY A 37 156.276 -7.514 -12.585 1.00 0.00 C ATOM 614 C GLY A 37 157.490 -8.133 -11.908 1.00 0.00 C ATOM 615 O GLY A 37 158.241 -8.879 -12.538 1.00 0.00 O ATOM 0 H GLY A 37 155.085 -6.322 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 37 155.443 -8.216 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 37 156.498 -7.351 -13.640 1.00 0.00 H new ATOM 619 N GLN A 38 157.685 -7.824 -10.624 1.00 0.00 N ATOM 620 CA GLN A 38 158.817 -8.357 -9.867 1.00 0.00 C ATOM 621 C GLN A 38 158.638 -8.112 -8.368 1.00 0.00 C ATOM 622 O GLN A 38 157.918 -7.198 -7.964 1.00 0.00 O ATOM 623 CB GLN A 38 160.129 -7.722 -10.345 1.00 0.00 C ATOM 624 CG GLN A 38 160.021 -6.229 -10.625 1.00 0.00 C ATOM 625 CD GLN A 38 161.375 -5.560 -10.777 1.00 0.00 C ATOM 626 OE1 GLN A 38 162.105 -5.822 -11.733 1.00 0.00 O ATOM 627 NE2 GLN A 38 161.720 -4.686 -9.835 1.00 0.00 N ATOM 0 H GLN A 38 157.074 -7.208 -10.088 1.00 0.00 H new ATOM 0 HA GLN A 38 158.858 -9.432 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 38 160.898 -7.886 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 38 160.459 -8.230 -11.251 1.00 0.00 H new ATOM 0 HG2 GLN A 38 159.441 -6.076 -11.535 1.00 0.00 H new ATOM 0 HG3 GLN A 38 159.473 -5.750 -9.813 1.00 0.00 H new ATOM 0 HE21 GLN A 38 161.086 -4.497 -9.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 162.618 -4.205 -9.889 1.00 0.00 H new ATOM 636 N PRO A 39 159.294 -8.930 -7.521 1.00 0.00 N ATOM 637 CA PRO A 39 159.203 -8.795 -6.064 1.00 0.00 C ATOM 638 C PRO A 39 159.981 -7.585 -5.544 1.00 0.00 C ATOM 639 O PRO A 39 161.214 -7.574 -5.555 1.00 0.00 O ATOM 640 CB PRO A 39 159.820 -10.097 -5.549 1.00 0.00 C ATOM 641 CG PRO A 39 160.771 -10.513 -6.618 1.00 0.00 C ATOM 642 CD PRO A 39 160.171 -10.050 -7.919 1.00 0.00 C ATOM 0 HA PRO A 39 158.178 -8.635 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 39 160.333 -9.944 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 39 159.057 -10.857 -5.380 1.00 0.00 H new ATOM 0 HG2 PRO A 39 161.753 -10.066 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 39 160.910 -11.594 -6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 39 160.939 -9.727 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 39 159.608 -10.846 -8.406 1.00 0.00 H new ATOM 650 N LEU A 40 159.250 -6.567 -5.090 1.00 0.00 N ATOM 651 CA LEU A 40 159.865 -5.350 -4.565 1.00 0.00 C ATOM 652 C LEU A 40 159.713 -5.273 -3.048 1.00 0.00 C ATOM 653 O LEU A 40 158.632 -5.521 -2.510 1.00 0.00 O ATOM 654 CB LEU A 40 159.234 -4.110 -5.207 1.00 0.00 C ATOM 655 CG LEU A 40 159.743 -3.770 -6.610 1.00 0.00 C ATOM 656 CD1 LEU A 40 158.971 -4.551 -7.663 1.00 0.00 C ATOM 657 CD2 LEU A 40 159.631 -2.274 -6.864 1.00 0.00 C ATOM 0 H LEU A 40 158.230 -6.562 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 40 160.927 -5.380 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 40 158.155 -4.255 -5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 159.412 -3.254 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 40 160.793 -4.055 -6.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 159.347 -4.296 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 40 159.099 -5.620 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 40 157.913 -4.298 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 40 159.997 -2.047 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 40 158.588 -1.968 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 40 160.228 -1.734 -6.129 1.00 0.00 H new ATOM 669 N ASP A 41 160.801 -4.920 -2.366 1.00 0.00 N ATOM 670 CA ASP A 41 160.790 -4.800 -0.912 1.00 0.00 C ATOM 671 C ASP A 41 160.292 -3.420 -0.487 1.00 0.00 C ATOM 672 O ASP A 41 160.731 -2.401 -1.025 1.00 0.00 O ATOM 673 CB ASP A 41 162.193 -5.046 -0.347 1.00 0.00 C ATOM 674 CG ASP A 41 162.175 -5.804 0.970 1.00 0.00 C ATOM 675 OD1 ASP A 41 161.168 -5.707 1.704 1.00 0.00 O ATOM 676 OD2 ASP A 41 163.172 -6.494 1.267 1.00 0.00 O ATOM 0 H ASP A 41 161.701 -4.712 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 41 160.110 -5.553 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 41 162.779 -5.606 -1.075 1.00 0.00 H new ATOM 0 HB3 ASP A 41 162.694 -4.089 -0.203 1.00 0.00 H new ATOM 681 N LEU A 42 159.375 -3.395 0.479 1.00 0.00 N ATOM 682 CA LEU A 42 158.816 -2.140 0.976 1.00 0.00 C ATOM 683 C LEU A 42 159.609 -1.629 2.178 1.00 0.00 C ATOM 684 O LEU A 42 159.540 -2.202 3.267 1.00 0.00 O ATOM 685 CB LEU A 42 157.347 -2.323 1.367 1.00 0.00 C ATOM 686 CG LEU A 42 156.454 -2.940 0.287 1.00 0.00 C ATOM 687 CD1 LEU A 42 156.167 -4.400 0.604 1.00 0.00 C ATOM 688 CD2 LEU A 42 155.156 -2.154 0.154 1.00 0.00 C ATOM 0 H LEU A 42 159.004 -4.230 0.933 1.00 0.00 H new ATOM 0 HA LEU A 42 158.882 -1.404 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 42 157.301 -2.952 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 42 156.938 -1.351 1.642 1.00 0.00 H new ATOM 0 HG LEU A 42 156.982 -2.893 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 42 155.531 -4.823 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 42 157.105 -4.954 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 42 155.659 -4.470 1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 42 154.534 -2.607 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 42 154.623 -2.169 1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 42 155.381 -1.123 -0.120 1.00 0.00 H new ATOM 700 N HIS A 43 160.361 -0.549 1.972 1.00 0.00 N ATOM 701 CA HIS A 43 161.165 0.037 3.039 1.00 0.00 C ATOM 702 C HIS A 43 160.531 1.320 3.567 1.00 0.00 C ATOM 703 O HIS A 43 160.357 2.290 2.826 1.00 0.00 O ATOM 704 CB HIS A 43 162.584 0.322 2.543 1.00 0.00 C ATOM 705 CG HIS A 43 163.635 -0.454 3.274 1.00 0.00 C ATOM 706 ND1 HIS A 43 163.974 -0.206 4.587 1.00 0.00 N ATOM 707 CD2 HIS A 43 164.418 -1.483 2.872 1.00 0.00 C ATOM 708 CE1 HIS A 43 164.921 -1.048 4.961 1.00 0.00 C ATOM 709 NE2 HIS A 43 165.208 -1.833 3.939 1.00 0.00 N ATOM 0 H HIS A 43 160.429 -0.064 1.077 1.00 0.00 H new ATOM 0 HA HIS A 43 161.210 -0.683 3.856 1.00 0.00 H new ATOM 0 HB2 HIS A 43 162.643 0.088 1.480 1.00 0.00 H new ATOM 0 HB3 HIS A 43 162.791 1.387 2.647 1.00 0.00 H new ATOM 0 HD2 HIS A 43 164.421 -1.943 1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 43 165.382 -1.087 5.937 1.00 0.00 H new ATOM 0 HE2 HIS A 43 165.904 -2.579 3.942 1.00 0.00 H new ATOM 718 N TYR A 44 160.190 1.314 4.853 1.00 0.00 N ATOM 719 CA TYR A 44 159.577 2.471 5.496 1.00 0.00 C ATOM 720 C TYR A 44 160.642 3.382 6.103 1.00 0.00 C ATOM 721 O TYR A 44 161.507 2.925 6.851 1.00 0.00 O ATOM 722 CB TYR A 44 158.602 2.013 6.585 1.00 0.00 C ATOM 723 CG TYR A 44 157.365 2.875 6.694 1.00 0.00 C ATOM 724 CD1 TYR A 44 156.567 3.116 5.583 1.00 0.00 C ATOM 725 CD2 TYR A 44 156.996 3.447 7.905 1.00 0.00 C ATOM 726 CE1 TYR A 44 155.437 3.904 5.675 1.00 0.00 C ATOM 727 CE2 TYR A 44 155.866 4.236 8.006 1.00 0.00 C ATOM 728 CZ TYR A 44 155.091 4.461 6.888 1.00 0.00 C ATOM 729 OH TYR A 44 153.965 5.247 6.985 1.00 0.00 O ATOM 0 H TYR A 44 160.329 0.516 5.472 1.00 0.00 H new ATOM 0 HA TYR A 44 159.031 3.033 4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 44 158.301 0.985 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 44 159.118 2.011 7.545 1.00 0.00 H new ATOM 0 HD1 TYR A 44 156.835 2.680 4.632 1.00 0.00 H new ATOM 0 HD2 TYR A 44 157.602 3.272 8.782 1.00 0.00 H new ATOM 0 HE1 TYR A 44 154.827 4.083 4.802 1.00 0.00 H new ATOM 0 HE2 TYR A 44 155.592 4.674 8.955 1.00 0.00 H new ATOM 0 HH TYR A 44 153.863 5.560 7.908 1.00 0.00 H new ATOM 739 N MET A 45 160.570 4.671 5.779 1.00 0.00 N ATOM 740 CA MET A 45 161.526 5.647 6.295 1.00 0.00 C ATOM 741 C MET A 45 160.802 6.837 6.920 1.00 0.00 C ATOM 742 O MET A 45 160.119 7.594 6.229 1.00 0.00 O ATOM 743 CB MET A 45 162.461 6.124 5.178 1.00 0.00 C ATOM 744 CG MET A 45 161.744 6.482 3.885 1.00 0.00 C ATOM 745 SD MET A 45 162.584 7.784 2.964 1.00 0.00 S ATOM 746 CE MET A 45 161.910 9.246 3.750 1.00 0.00 C ATOM 0 H MET A 45 159.859 5.064 5.161 1.00 0.00 H new ATOM 0 HA MET A 45 162.122 5.162 7.068 1.00 0.00 H new ATOM 0 HB2 MET A 45 163.015 6.995 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 45 163.193 5.343 4.972 1.00 0.00 H new ATOM 0 HG2 MET A 45 161.665 5.593 3.260 1.00 0.00 H new ATOM 0 HG3 MET A 45 160.728 6.802 4.114 1.00 0.00 H new ATOM 0 HE1 MET A 45 162.336 10.137 3.288 1.00 0.00 H new ATOM 0 HE2 MET A 45 160.827 9.257 3.630 1.00 0.00 H new ATOM 0 HE3 MET A 45 162.157 9.235 4.812 1.00 0.00 H new ATOM 756 N ASN A 46 160.956 6.998 8.233 1.00 0.00 N ATOM 757 CA ASN A 46 160.317 8.099 8.951 1.00 0.00 C ATOM 758 C ASN A 46 161.180 9.357 8.881 1.00 0.00 C ATOM 759 O ASN A 46 160.715 10.417 8.459 1.00 0.00 O ATOM 760 CB ASN A 46 160.071 7.709 10.411 1.00 0.00 C ATOM 761 CG ASN A 46 159.049 8.603 11.087 1.00 0.00 C ATOM 762 OD1 ASN A 46 159.375 9.696 11.551 1.00 0.00 O ATOM 763 ND2 ASN A 46 157.804 8.144 11.148 1.00 0.00 N ATOM 0 H ASN A 46 161.517 6.381 8.820 1.00 0.00 H new ATOM 0 HA ASN A 46 159.358 8.309 8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 46 159.730 6.675 10.455 1.00 0.00 H new ATOM 0 HB3 ASN A 46 161.011 7.758 10.960 1.00 0.00 H new ATOM 0 HD21 ASN A 46 157.076 8.703 11.592 1.00 0.00 H new ATOM 0 HD22 ASN A 46 157.576 7.232 10.751 1.00 0.00 H new ATOM 770 N ASN A 47 162.440 9.221 9.289 1.00 0.00 N ATOM 771 CA ASN A 47 163.387 10.332 9.270 1.00 0.00 C ATOM 772 C ASN A 47 164.810 9.822 9.483 1.00 0.00 C ATOM 773 O ASN A 47 165.659 9.932 8.597 1.00 0.00 O ATOM 774 CB ASN A 47 163.032 11.370 10.342 1.00 0.00 C ATOM 775 CG ASN A 47 162.487 12.653 9.745 1.00 0.00 C ATOM 776 OD1 ASN A 47 161.301 12.956 9.873 1.00 0.00 O ATOM 777 ND2 ASN A 47 163.353 13.417 9.086 1.00 0.00 N ATOM 0 H ASN A 47 162.830 8.346 9.639 1.00 0.00 H new ATOM 0 HA ASN A 47 163.327 10.812 8.293 1.00 0.00 H new ATOM 0 HB2 ASN A 47 162.294 10.947 11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 47 163.919 11.596 10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 47 163.042 14.292 8.663 1.00 0.00 H new ATOM 0 HD22 ASN A 47 164.328 13.128 9.004 1.00 0.00 H new ATOM 784 N GLU A 48 165.059 9.260 10.664 1.00 0.00 N ATOM 785 CA GLU A 48 166.376 8.725 11.005 1.00 0.00 C ATOM 786 C GLU A 48 166.367 7.192 11.072 1.00 0.00 C ATOM 787 O GLU A 48 167.411 6.556 10.916 1.00 0.00 O ATOM 788 CB GLU A 48 166.852 9.305 12.341 1.00 0.00 C ATOM 789 CG GLU A 48 165.976 8.922 13.527 1.00 0.00 C ATOM 790 CD GLU A 48 165.713 10.089 14.459 1.00 0.00 C ATOM 791 OE1 GLU A 48 166.685 10.614 15.044 1.00 0.00 O ATOM 792 OE2 GLU A 48 164.535 10.478 14.604 1.00 0.00 O ATOM 0 H GLU A 48 164.363 9.163 11.404 1.00 0.00 H new ATOM 0 HA GLU A 48 167.066 9.020 10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 48 167.871 8.967 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 48 166.886 10.392 12.263 1.00 0.00 H new ATOM 0 HG2 GLU A 48 165.026 8.533 13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 48 166.457 8.118 14.084 1.00 0.00 H new ATOM 799 N LEU A 49 165.190 6.603 11.309 1.00 0.00 N ATOM 800 CA LEU A 49 165.067 5.150 11.401 1.00 0.00 C ATOM 801 C LEU A 49 164.269 4.585 10.227 1.00 0.00 C ATOM 802 O LEU A 49 163.345 5.228 9.722 1.00 0.00 O ATOM 803 CB LEU A 49 164.399 4.760 12.723 1.00 0.00 C ATOM 804 CG LEU A 49 164.677 3.330 13.195 1.00 0.00 C ATOM 805 CD1 LEU A 49 164.823 3.287 14.710 1.00 0.00 C ATOM 806 CD2 LEU A 49 163.569 2.392 12.736 1.00 0.00 C ATOM 0 H LEU A 49 164.315 7.110 11.440 1.00 0.00 H new ATOM 0 HA LEU A 49 166.070 4.725 11.365 1.00 0.00 H new ATOM 0 HB2 LEU A 49 164.730 5.452 13.497 1.00 0.00 H new ATOM 0 HB3 LEU A 49 163.322 4.889 12.619 1.00 0.00 H new ATOM 0 HG LEU A 49 165.615 2.996 12.751 1.00 0.00 H new ATOM 0 HD11 LEU A 49 165.020 2.263 15.028 1.00 0.00 H new ATOM 0 HD12 LEU A 49 165.651 3.927 15.014 1.00 0.00 H new ATOM 0 HD13 LEU A 49 163.902 3.640 15.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 163.783 1.380 13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 162.617 2.723 13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 163.513 2.401 11.647 1.00 0.00 H new ATOM 818 N SER A 50 164.631 3.374 9.805 1.00 0.00 N ATOM 819 CA SER A 50 163.952 2.708 8.698 1.00 0.00 C ATOM 820 C SER A 50 163.352 1.379 9.148 1.00 0.00 C ATOM 821 O SER A 50 164.016 0.579 9.809 1.00 0.00 O ATOM 822 CB SER A 50 164.919 2.477 7.534 1.00 0.00 C ATOM 823 OG SER A 50 164.895 3.568 6.630 1.00 0.00 O ATOM 0 H SER A 50 165.393 2.834 10.215 1.00 0.00 H new ATOM 0 HA SER A 50 163.144 3.357 8.362 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.930 2.340 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 50 164.650 1.560 7.010 1.00 0.00 H new ATOM 0 HG SER A 50 165.522 3.398 5.896 1.00 0.00 H new ATOM 829 N ILE A 51 162.093 1.152 8.782 1.00 0.00 N ATOM 830 CA ILE A 51 161.390 -0.076 9.142 1.00 0.00 C ATOM 831 C ILE A 51 161.030 -0.878 7.891 1.00 0.00 C ATOM 832 O ILE A 51 160.529 -0.324 6.913 1.00 0.00 O ATOM 833 CB ILE A 51 160.105 0.232 9.944 1.00 0.00 C ATOM 834 CG1 ILE A 51 160.400 1.237 11.064 1.00 0.00 C ATOM 835 CG2 ILE A 51 159.509 -1.045 10.518 1.00 0.00 C ATOM 836 CD1 ILE A 51 160.073 2.669 10.696 1.00 0.00 C ATOM 0 H ILE A 51 161.536 1.807 8.233 1.00 0.00 H new ATOM 0 HA ILE A 51 162.060 -0.666 9.767 1.00 0.00 H new ATOM 0 HB ILE A 51 159.376 0.674 9.265 1.00 0.00 H new ATOM 0 HG12 ILE A 51 159.829 0.959 11.950 1.00 0.00 H new ATOM 0 HG13 ILE A 51 161.455 1.171 11.331 1.00 0.00 H new ATOM 0 HG21 ILE A 51 158.606 -0.805 11.079 1.00 0.00 H new ATOM 0 HG22 ILE A 51 159.261 -1.728 9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 51 160.233 -1.518 11.182 1.00 0.00 H new ATOM 0 HD11 ILE A 51 160.307 3.323 11.536 1.00 0.00 H new ATOM 0 HD12 ILE A 51 160.664 2.966 9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 51 159.013 2.750 10.458 1.00 0.00 H new ATOM 848 N LEU A 52 161.290 -2.185 7.925 1.00 0.00 N ATOM 849 CA LEU A 52 160.993 -3.055 6.789 1.00 0.00 C ATOM 850 C LEU A 52 159.664 -3.780 6.992 1.00 0.00 C ATOM 851 O LEU A 52 159.450 -4.432 8.016 1.00 0.00 O ATOM 852 CB LEU A 52 162.125 -4.068 6.579 1.00 0.00 C ATOM 853 CG LEU A 52 162.234 -4.650 5.164 1.00 0.00 C ATOM 854 CD1 LEU A 52 163.647 -5.143 4.894 1.00 0.00 C ATOM 855 CD2 LEU A 52 161.235 -5.782 4.969 1.00 0.00 C ATOM 0 H LEU A 52 161.705 -2.663 8.725 1.00 0.00 H new ATOM 0 HA LEU A 52 160.911 -2.433 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 52 163.071 -3.587 6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 52 161.989 -4.890 7.282 1.00 0.00 H new ATOM 0 HG LEU A 52 162.001 -3.857 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 52 163.703 -5.552 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 52 164.346 -4.312 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 52 163.906 -5.919 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 52 161.329 -6.180 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 52 161.436 -6.573 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 52 160.223 -5.404 5.117 1.00 0.00 H new ATOM 867 N LEU A 53 158.773 -3.660 6.006 1.00 0.00 N ATOM 868 CA LEU A 53 157.460 -4.301 6.069 1.00 0.00 C ATOM 869 C LEU A 53 157.580 -5.818 5.919 1.00 0.00 C ATOM 870 O LEU A 53 157.677 -6.336 4.807 1.00 0.00 O ATOM 871 CB LEU A 53 156.537 -3.739 4.980 1.00 0.00 C ATOM 872 CG LEU A 53 155.658 -2.558 5.406 1.00 0.00 C ATOM 873 CD1 LEU A 53 155.086 -1.852 4.185 1.00 0.00 C ATOM 874 CD2 LEU A 53 154.534 -3.021 6.323 1.00 0.00 C ATOM 0 H LEU A 53 158.938 -3.124 5.154 1.00 0.00 H new ATOM 0 HA LEU A 53 157.029 -4.086 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 53 157.150 -3.427 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 53 155.890 -4.542 4.626 1.00 0.00 H new ATOM 0 HG LEU A 53 156.281 -1.854 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 53 154.464 -1.016 4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 53 155.901 -1.481 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 53 154.482 -2.553 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 53 153.924 -2.165 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 53 153.914 -3.749 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 53 154.959 -3.481 7.215 1.00 0.00 H new ATOM 886 N LYS A 54 157.572 -6.522 7.049 1.00 0.00 N ATOM 887 CA LYS A 54 157.676 -7.981 7.050 1.00 0.00 C ATOM 888 C LYS A 54 156.292 -8.634 7.059 1.00 0.00 C ATOM 889 O LYS A 54 156.076 -9.657 6.407 1.00 0.00 O ATOM 890 CB LYS A 54 158.484 -8.457 8.260 1.00 0.00 C ATOM 891 CG LYS A 54 159.988 -8.428 8.037 1.00 0.00 C ATOM 892 CD LYS A 54 160.641 -9.735 8.460 1.00 0.00 C ATOM 893 CE LYS A 54 160.889 -10.650 7.269 1.00 0.00 C ATOM 894 NZ LYS A 54 159.958 -11.814 7.249 1.00 0.00 N ATOM 0 H LYS A 54 157.495 -6.106 7.977 1.00 0.00 H new ATOM 0 HA LYS A 54 158.190 -8.279 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 54 158.240 -7.831 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 54 158.182 -9.474 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 54 160.197 -8.240 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 54 160.424 -7.603 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 54 161.586 -9.525 8.961 1.00 0.00 H new ATOM 0 HD3 LYS A 54 160.003 -10.243 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 54 160.776 -10.081 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 161.917 -11.010 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 160.164 -12.409 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 160.083 -12.373 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 158.977 -11.473 7.195 1.00 0.00 H new ATOM 908 N ASN A 55 155.363 -8.034 7.802 1.00 0.00 N ATOM 909 CA ASN A 55 154.000 -8.553 7.901 1.00 0.00 C ATOM 910 C ASN A 55 153.008 -7.428 8.201 1.00 0.00 C ATOM 911 O ASN A 55 153.376 -6.251 8.211 1.00 0.00 O ATOM 912 CB ASN A 55 153.923 -9.631 8.989 1.00 0.00 C ATOM 913 CG ASN A 55 153.796 -11.027 8.409 1.00 0.00 C ATOM 914 OD1 ASN A 55 154.792 -11.650 8.043 1.00 0.00 O ATOM 915 ND2 ASN A 55 152.567 -11.527 8.320 1.00 0.00 N ATOM 0 H ASN A 55 155.530 -7.187 8.345 1.00 0.00 H new ATOM 0 HA ASN A 55 153.733 -8.997 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 55 154.815 -9.579 9.613 1.00 0.00 H new ATOM 0 HB3 ASN A 55 153.070 -9.430 9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 55 152.423 -12.461 7.937 1.00 0.00 H new ATOM 0 HD22 ASN A 55 151.768 -10.976 8.635 1.00 0.00 H new ATOM 922 N GLN A 56 151.749 -7.798 8.443 1.00 0.00 N ATOM 923 CA GLN A 56 150.704 -6.821 8.744 1.00 0.00 C ATOM 924 C GLN A 56 151.038 -6.022 10.005 1.00 0.00 C ATOM 925 O GLN A 56 150.656 -4.859 10.124 1.00 0.00 O ATOM 926 CB GLN A 56 149.353 -7.520 8.914 1.00 0.00 C ATOM 927 CG GLN A 56 148.172 -6.561 8.953 1.00 0.00 C ATOM 928 CD GLN A 56 147.294 -6.662 7.719 1.00 0.00 C ATOM 929 OE1 GLN A 56 146.202 -7.231 7.763 1.00 0.00 O ATOM 930 NE2 GLN A 56 147.767 -6.110 6.607 1.00 0.00 N ATOM 0 H GLN A 56 151.430 -8.767 8.436 1.00 0.00 H new ATOM 0 HA GLN A 56 150.646 -6.128 7.905 1.00 0.00 H new ATOM 0 HB2 GLN A 56 149.212 -8.224 8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 56 149.368 -8.103 9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 56 147.571 -6.767 9.839 1.00 0.00 H new ATOM 0 HG3 GLN A 56 148.541 -5.540 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 56 148.676 -5.648 6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 56 147.221 -6.148 5.746 1.00 0.00 H new ATOM 939 N ASP A 57 151.752 -6.655 10.940 1.00 0.00 N ATOM 940 CA ASP A 57 152.139 -6.005 12.193 1.00 0.00 C ATOM 941 C ASP A 57 152.853 -4.678 11.927 1.00 0.00 C ATOM 942 O ASP A 57 152.498 -3.648 12.500 1.00 0.00 O ATOM 943 CB ASP A 57 153.048 -6.929 13.014 1.00 0.00 C ATOM 944 CG ASP A 57 152.350 -8.205 13.446 1.00 0.00 C ATOM 945 OD1 ASP A 57 151.601 -8.164 14.445 1.00 0.00 O ATOM 946 OD2 ASP A 57 152.553 -9.246 12.785 1.00 0.00 O ATOM 0 H ASP A 57 152.074 -7.619 10.852 1.00 0.00 H new ATOM 0 HA ASP A 57 151.230 -5.800 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 57 153.928 -7.183 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 57 153.399 -6.395 13.897 1.00 0.00 H new ATOM 951 N ASP A 58 153.858 -4.713 11.053 1.00 0.00 N ATOM 952 CA ASP A 58 154.621 -3.515 10.707 1.00 0.00 C ATOM 953 C ASP A 58 153.724 -2.465 10.051 1.00 0.00 C ATOM 954 O ASP A 58 153.806 -1.278 10.372 1.00 0.00 O ATOM 955 CB ASP A 58 155.777 -3.873 9.768 1.00 0.00 C ATOM 956 CG ASP A 58 157.021 -4.317 10.516 1.00 0.00 C ATOM 957 OD1 ASP A 58 156.943 -5.314 11.262 1.00 0.00 O ATOM 958 OD2 ASP A 58 158.074 -3.669 10.354 1.00 0.00 O ATOM 0 H ASP A 58 154.163 -5.559 10.571 1.00 0.00 H new ATOM 0 HA ASP A 58 155.026 -3.096 11.628 1.00 0.00 H new ATOM 0 HB2 ASP A 58 155.460 -4.669 9.094 1.00 0.00 H new ATOM 0 HB3 ASP A 58 156.019 -3.009 9.149 1.00 0.00 H new ATOM 963 N LEU A 59 152.864 -2.911 9.135 1.00 0.00 N ATOM 964 CA LEU A 59 151.945 -2.014 8.438 1.00 0.00 C ATOM 965 C LEU A 59 150.948 -1.393 9.413 1.00 0.00 C ATOM 966 O LEU A 59 150.593 -0.220 9.287 1.00 0.00 O ATOM 967 CB LEU A 59 151.195 -2.773 7.340 1.00 0.00 C ATOM 968 CG LEU A 59 150.245 -1.923 6.488 1.00 0.00 C ATOM 969 CD1 LEU A 59 150.594 -2.044 5.012 1.00 0.00 C ATOM 970 CD2 LEU A 59 148.797 -2.331 6.729 1.00 0.00 C ATOM 0 H LEU A 59 152.785 -3.890 8.859 1.00 0.00 H new ATOM 0 HA LEU A 59 152.530 -1.214 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 59 151.926 -3.242 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 59 150.621 -3.576 7.803 1.00 0.00 H new ATOM 0 HG LEU A 59 150.362 -0.881 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 59 149.908 -1.433 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 59 151.616 -1.700 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 59 150.509 -3.086 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 59 148.139 -1.716 6.115 1.00 0.00 H new ATOM 0 HD22 LEU A 59 148.666 -3.380 6.464 1.00 0.00 H new ATOM 0 HD23 LEU A 59 148.549 -2.189 7.781 1.00 0.00 H new ATOM 982 N ASP A 60 150.502 -2.191 10.384 1.00 0.00 N ATOM 983 CA ASP A 60 149.546 -1.727 11.387 1.00 0.00 C ATOM 984 C ASP A 60 150.130 -0.576 12.197 1.00 0.00 C ATOM 985 O ASP A 60 149.453 0.420 12.452 1.00 0.00 O ATOM 986 CB ASP A 60 149.162 -2.878 12.323 1.00 0.00 C ATOM 987 CG ASP A 60 147.688 -2.875 12.682 1.00 0.00 C ATOM 988 OD1 ASP A 60 147.208 -1.857 13.224 1.00 0.00 O ATOM 989 OD2 ASP A 60 147.014 -3.894 12.423 1.00 0.00 O ATOM 0 H ASP A 60 150.789 -3.163 10.496 1.00 0.00 H new ATOM 0 HA ASP A 60 148.654 -1.372 10.870 1.00 0.00 H new ATOM 0 HB2 ASP A 60 149.414 -3.826 11.848 1.00 0.00 H new ATOM 0 HB3 ASP A 60 149.754 -2.811 13.236 1.00 0.00 H new ATOM 994 N LYS A 61 151.394 -0.715 12.589 1.00 0.00 N ATOM 995 CA LYS A 61 152.073 0.319 13.363 1.00 0.00 C ATOM 996 C LYS A 61 152.221 1.602 12.547 1.00 0.00 C ATOM 997 O LYS A 61 152.133 2.703 13.091 1.00 0.00 O ATOM 998 CB LYS A 61 153.448 -0.171 13.825 1.00 0.00 C ATOM 999 CG LYS A 61 153.470 -0.644 15.270 1.00 0.00 C ATOM 1000 CD LYS A 61 154.032 0.424 16.196 1.00 0.00 C ATOM 1001 CE LYS A 61 152.967 1.433 16.607 1.00 0.00 C ATOM 1002 NZ LYS A 61 152.309 1.062 17.891 1.00 0.00 N ATOM 0 H LYS A 61 151.968 -1.533 12.383 1.00 0.00 H new ATOM 0 HA LYS A 61 151.464 0.536 14.240 1.00 0.00 H new ATOM 0 HB2 LYS A 61 153.770 -0.988 13.179 1.00 0.00 H new ATOM 0 HB3 LYS A 61 154.172 0.635 13.704 1.00 0.00 H new ATOM 0 HG2 LYS A 61 152.459 -0.905 15.584 1.00 0.00 H new ATOM 0 HG3 LYS A 61 154.072 -1.549 15.349 1.00 0.00 H new ATOM 0 HD2 LYS A 61 154.448 -0.049 17.086 1.00 0.00 H new ATOM 0 HD3 LYS A 61 154.851 0.943 15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 61 153.421 2.419 16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 61 152.214 1.505 15.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 151.592 1.775 18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 151.853 0.133 17.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 153.022 1.019 18.647 1.00 0.00 H new ATOM 1016 N ALA A 62 152.443 1.453 11.238 1.00 0.00 N ATOM 1017 CA ALA A 62 152.599 2.605 10.352 1.00 0.00 C ATOM 1018 C ALA A 62 151.319 3.437 10.295 1.00 0.00 C ATOM 1019 O ALA A 62 151.374 4.664 10.197 1.00 0.00 O ATOM 1020 CB ALA A 62 152.999 2.155 8.953 1.00 0.00 C ATOM 0 H ALA A 62 152.518 0.549 10.772 1.00 0.00 H new ATOM 0 HA ALA A 62 153.392 3.232 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 62 153.110 3.027 8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 62 153.945 1.616 9.001 1.00 0.00 H new ATOM 0 HB3 ALA A 62 152.228 1.500 8.547 1.00 0.00 H new ATOM 1026 N ILE A 63 150.168 2.766 10.360 1.00 0.00 N ATOM 1027 CA ILE A 63 148.878 3.452 10.321 1.00 0.00 C ATOM 1028 C ILE A 63 148.702 4.343 11.548 1.00 0.00 C ATOM 1029 O ILE A 63 148.237 5.478 11.437 1.00 0.00 O ATOM 1030 CB ILE A 63 147.701 2.454 10.243 1.00 0.00 C ATOM 1031 CG1 ILE A 63 147.907 1.473 9.082 1.00 0.00 C ATOM 1032 CG2 ILE A 63 146.378 3.196 10.087 1.00 0.00 C ATOM 1033 CD1 ILE A 63 147.360 0.087 9.350 1.00 0.00 C ATOM 0 H ILE A 63 150.104 1.751 10.440 1.00 0.00 H new ATOM 0 HA ILE A 63 148.872 4.066 9.420 1.00 0.00 H new ATOM 0 HB ILE A 63 147.668 1.887 11.173 1.00 0.00 H new ATOM 0 HG12 ILE A 63 147.429 1.876 8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 63 148.973 1.398 8.867 1.00 0.00 H new ATOM 0 HG21 ILE A 63 145.561 2.476 10.034 1.00 0.00 H new ATOM 0 HG22 ILE A 63 146.227 3.854 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 63 146.399 3.789 9.173 1.00 0.00 H new ATOM 0 HD11 ILE A 63 147.543 -0.550 8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 63 147.855 -0.337 10.224 1.00 0.00 H new ATOM 0 HD13 ILE A 63 146.288 0.149 9.535 1.00 0.00 H new ATOM 1045 N ASP A 64 149.083 3.823 12.715 1.00 0.00 N ATOM 1046 CA ASP A 64 148.976 4.572 13.967 1.00 0.00 C ATOM 1047 C ASP A 64 149.660 5.932 13.852 1.00 0.00 C ATOM 1048 O ASP A 64 149.157 6.935 14.359 1.00 0.00 O ATOM 1049 CB ASP A 64 149.598 3.776 15.118 1.00 0.00 C ATOM 1050 CG ASP A 64 148.598 2.864 15.803 1.00 0.00 C ATOM 1051 OD1 ASP A 64 148.038 1.979 15.123 1.00 0.00 O ATOM 1052 OD2 ASP A 64 148.381 3.032 17.022 1.00 0.00 O ATOM 0 H ASP A 64 149.469 2.885 12.819 1.00 0.00 H new ATOM 0 HA ASP A 64 147.918 4.733 14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 64 150.426 3.179 14.736 1.00 0.00 H new ATOM 0 HB3 ASP A 64 150.014 4.468 15.850 1.00 0.00 H new ATOM 1057 N ILE A 65 150.808 5.957 13.176 1.00 0.00 N ATOM 1058 CA ILE A 65 151.559 7.193 12.986 1.00 0.00 C ATOM 1059 C ILE A 65 150.783 8.171 12.103 1.00 0.00 C ATOM 1060 O ILE A 65 150.775 9.377 12.357 1.00 0.00 O ATOM 1061 CB ILE A 65 152.945 6.929 12.358 1.00 0.00 C ATOM 1062 CG1 ILE A 65 153.689 5.837 13.136 1.00 0.00 C ATOM 1063 CG2 ILE A 65 153.765 8.211 12.323 1.00 0.00 C ATOM 1064 CD1 ILE A 65 154.706 5.086 12.304 1.00 0.00 C ATOM 0 H ILE A 65 151.237 5.134 12.752 1.00 0.00 H new ATOM 0 HA ILE A 65 151.703 7.631 13.974 1.00 0.00 H new ATOM 0 HB ILE A 65 152.800 6.583 11.335 1.00 0.00 H new ATOM 0 HG12 ILE A 65 154.194 6.290 13.989 1.00 0.00 H new ATOM 0 HG13 ILE A 65 152.963 5.128 13.535 1.00 0.00 H new ATOM 0 HG21 ILE A 65 154.739 8.008 11.878 1.00 0.00 H new ATOM 0 HG22 ILE A 65 153.243 8.961 11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 65 153.901 8.584 13.338 1.00 0.00 H new ATOM 0 HD11 ILE A 65 155.193 4.330 12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 65 154.205 4.603 11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 65 155.454 5.783 11.927 1.00 0.00 H new ATOM 1076 N LEU A 66 150.126 7.643 11.070 1.00 0.00 N ATOM 1077 CA LEU A 66 149.342 8.468 10.155 1.00 0.00 C ATOM 1078 C LEU A 66 148.185 9.152 10.888 1.00 0.00 C ATOM 1079 O LEU A 66 147.919 10.333 10.669 1.00 0.00 O ATOM 1080 CB LEU A 66 148.801 7.618 9.001 1.00 0.00 C ATOM 1081 CG LEU A 66 148.416 8.402 7.742 1.00 0.00 C ATOM 1082 CD1 LEU A 66 149.657 8.782 6.948 1.00 0.00 C ATOM 1083 CD2 LEU A 66 147.454 7.593 6.883 1.00 0.00 C ATOM 0 H LEU A 66 150.122 6.648 10.847 1.00 0.00 H new ATOM 0 HA LEU A 66 149.998 9.240 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 66 149.553 6.876 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 66 147.926 7.071 9.352 1.00 0.00 H new ATOM 0 HG LEU A 66 147.913 9.319 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 149.363 9.338 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 66 150.308 9.402 7.565 1.00 0.00 H new ATOM 0 HD13 LEU A 66 150.190 7.879 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 66 147.191 8.165 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 66 147.930 6.658 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 66 146.551 7.375 7.454 1.00 0.00 H new ATOM 1095 N ASP A 67 147.505 8.401 11.760 1.00 0.00 N ATOM 1096 CA ASP A 67 146.375 8.935 12.529 1.00 0.00 C ATOM 1097 C ASP A 67 146.824 10.049 13.478 1.00 0.00 C ATOM 1098 O ASP A 67 146.087 11.006 13.717 1.00 0.00 O ATOM 1099 CB ASP A 67 145.689 7.821 13.332 1.00 0.00 C ATOM 1100 CG ASP A 67 145.361 6.597 12.494 1.00 0.00 C ATOM 1101 OD1 ASP A 67 144.817 6.763 11.382 1.00 0.00 O ATOM 1102 OD2 ASP A 67 145.648 5.472 12.954 1.00 0.00 O ATOM 0 H ASP A 67 147.717 7.422 11.951 1.00 0.00 H new ATOM 0 HA ASP A 67 145.664 9.352 11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 67 146.336 7.526 14.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 144.770 8.210 13.770 1.00 0.00 H new ATOM 1107 N ARG A 68 148.039 9.918 14.013 1.00 0.00 N ATOM 1108 CA ARG A 68 148.589 10.912 14.932 1.00 0.00 C ATOM 1109 C ARG A 68 149.039 12.165 14.182 1.00 0.00 C ATOM 1110 O ARG A 68 148.945 13.278 14.702 1.00 0.00 O ATOM 1111 CB ARG A 68 149.771 10.320 15.705 1.00 0.00 C ATOM 1112 CG ARG A 68 150.328 11.245 16.776 1.00 0.00 C ATOM 1113 CD ARG A 68 151.518 10.620 17.487 1.00 0.00 C ATOM 1114 NE ARG A 68 151.886 11.358 18.694 1.00 0.00 N ATOM 1115 CZ ARG A 68 151.202 11.307 19.840 1.00 0.00 C ATOM 1116 NH1 ARG A 68 150.106 10.557 19.941 1.00 0.00 N ATOM 1117 NH2 ARG A 68 151.616 12.009 20.890 1.00 0.00 N ATOM 0 H ARG A 68 148.661 9.132 13.824 1.00 0.00 H new ATOM 0 HA ARG A 68 147.803 11.193 15.633 1.00 0.00 H new ATOM 0 HB2 ARG A 68 149.457 9.386 16.172 1.00 0.00 H new ATOM 0 HB3 ARG A 68 150.566 10.073 15.002 1.00 0.00 H new ATOM 0 HG2 ARG A 68 150.629 12.189 16.322 1.00 0.00 H new ATOM 0 HG3 ARG A 68 149.548 11.474 17.502 1.00 0.00 H new ATOM 0 HD2 ARG A 68 151.282 9.589 17.751 1.00 0.00 H new ATOM 0 HD3 ARG A 68 152.370 10.588 16.808 1.00 0.00 H new ATOM 0 HE ARG A 68 152.717 11.949 18.659 1.00 0.00 H new ATOM 0 HH11 ARG A 68 149.783 10.016 19.139 1.00 0.00 H new ATOM 0 HH12 ARG A 68 149.590 10.524 20.820 1.00 0.00 H new ATOM 0 HH21 ARG A 68 152.455 12.585 20.820 1.00 0.00 H new ATOM 0 HH22 ARG A 68 151.095 11.971 21.766 1.00 0.00 H new ATOM 1131 N SER A 69 149.535 11.974 12.960 1.00 0.00 N ATOM 1132 CA SER A 69 150.010 13.083 12.138 1.00 0.00 C ATOM 1133 C SER A 69 148.866 13.722 11.351 1.00 0.00 C ATOM 1134 O SER A 69 148.106 13.032 10.672 1.00 0.00 O ATOM 1135 CB SER A 69 151.093 12.594 11.173 1.00 0.00 C ATOM 1136 OG SER A 69 151.918 13.663 10.736 1.00 0.00 O ATOM 0 H SER A 69 149.618 11.059 12.518 1.00 0.00 H new ATOM 0 HA SER A 69 150.429 13.838 12.803 1.00 0.00 H new ATOM 0 HB2 SER A 69 151.705 11.837 11.664 1.00 0.00 H new ATOM 0 HB3 SER A 69 150.626 12.117 10.311 1.00 0.00 H new ATOM 0 HG SER A 69 152.819 13.325 10.548 1.00 0.00 H new ATOM 1142 N SER A 70 148.757 15.049 11.440 1.00 0.00 N ATOM 1143 CA SER A 70 147.713 15.787 10.729 1.00 0.00 C ATOM 1144 C SER A 70 148.085 15.984 9.259 1.00 0.00 C ATOM 1145 O SER A 70 147.235 15.871 8.375 1.00 0.00 O ATOM 1146 CB SER A 70 147.473 17.150 11.389 1.00 0.00 C ATOM 1147 OG SER A 70 146.112 17.532 11.292 1.00 0.00 O ATOM 0 H SER A 70 149.379 15.634 11.998 1.00 0.00 H new ATOM 0 HA SER A 70 146.796 15.199 10.780 1.00 0.00 H new ATOM 0 HB2 SER A 70 147.768 17.107 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 70 148.100 17.904 10.913 1.00 0.00 H new ATOM 0 HG SER A 70 145.985 18.404 11.722 1.00 0.00 H new ATOM 1153 N SER A 71 149.362 16.283 9.008 1.00 0.00 N ATOM 1154 CA SER A 71 149.849 16.501 7.646 1.00 0.00 C ATOM 1155 C SER A 71 149.996 15.181 6.890 1.00 0.00 C ATOM 1156 O SER A 71 149.647 15.093 5.712 1.00 0.00 O ATOM 1157 CB SER A 71 151.191 17.241 7.663 1.00 0.00 C ATOM 1158 OG SER A 71 151.966 16.879 8.793 1.00 0.00 O ATOM 0 H SER A 71 150.076 16.379 9.730 1.00 0.00 H new ATOM 0 HA SER A 71 149.111 17.114 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 71 151.745 17.014 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 71 151.015 18.317 7.670 1.00 0.00 H new ATOM 0 HG SER A 71 152.817 17.365 8.776 1.00 0.00 H new ATOM 1164 N MET A 72 150.518 14.159 7.570 1.00 0.00 N ATOM 1165 CA MET A 72 150.712 12.847 6.956 1.00 0.00 C ATOM 1166 C MET A 72 149.378 12.247 6.508 1.00 0.00 C ATOM 1167 O MET A 72 148.619 11.718 7.322 1.00 0.00 O ATOM 1168 CB MET A 72 151.420 11.901 7.932 1.00 0.00 C ATOM 1169 CG MET A 72 152.437 10.986 7.269 1.00 0.00 C ATOM 1170 SD MET A 72 154.135 11.540 7.519 1.00 0.00 S ATOM 1171 CE MET A 72 155.000 9.972 7.573 1.00 0.00 C ATOM 0 H MET A 72 150.813 14.216 8.545 1.00 0.00 H new ATOM 0 HA MET A 72 151.339 12.976 6.074 1.00 0.00 H new ATOM 0 HB2 MET A 72 151.922 12.493 8.698 1.00 0.00 H new ATOM 0 HB3 MET A 72 150.673 11.291 8.439 1.00 0.00 H new ATOM 0 HG2 MET A 72 152.326 9.977 7.666 1.00 0.00 H new ATOM 0 HG3 MET A 72 152.230 10.933 6.200 1.00 0.00 H new ATOM 0 HE1 MET A 72 156.065 10.149 7.723 1.00 0.00 H new ATOM 0 HE2 MET A 72 154.613 9.371 8.396 1.00 0.00 H new ATOM 0 HE3 MET A 72 154.849 9.441 6.633 1.00 0.00 H new ATOM 1181 N LYS A 73 149.101 12.336 5.206 1.00 0.00 N ATOM 1182 CA LYS A 73 147.862 11.802 4.639 1.00 0.00 C ATOM 1183 C LYS A 73 148.070 10.382 4.112 1.00 0.00 C ATOM 1184 O LYS A 73 147.187 9.532 4.235 1.00 0.00 O ATOM 1185 CB LYS A 73 147.359 12.706 3.510 1.00 0.00 C ATOM 1186 CG LYS A 73 146.358 13.759 3.966 1.00 0.00 C ATOM 1187 CD LYS A 73 144.987 13.545 3.337 1.00 0.00 C ATOM 1188 CE LYS A 73 145.037 13.644 1.816 1.00 0.00 C ATOM 1189 NZ LYS A 73 145.692 14.901 1.353 1.00 0.00 N ATOM 0 H LYS A 73 149.720 12.774 4.523 1.00 0.00 H new ATOM 0 HA LYS A 73 147.115 11.772 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 148.212 13.204 3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 73 146.897 12.088 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 73 146.268 13.729 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 73 146.728 14.750 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 73 144.605 12.566 3.625 1.00 0.00 H new ATOM 0 HD3 LYS A 73 144.289 14.286 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 73 145.578 12.786 1.416 1.00 0.00 H new ATOM 0 HE3 LYS A 73 144.024 13.597 1.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 145.525 15.024 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 145.293 15.711 1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 146.715 14.846 1.532 1.00 0.00 H new ATOM 1203 N SER A 74 149.242 10.136 3.526 1.00 0.00 N ATOM 1204 CA SER A 74 149.575 8.822 2.981 1.00 0.00 C ATOM 1205 C SER A 74 150.837 8.266 3.642 1.00 0.00 C ATOM 1206 O SER A 74 151.478 8.946 4.446 1.00 0.00 O ATOM 1207 CB SER A 74 149.771 8.910 1.464 1.00 0.00 C ATOM 1208 OG SER A 74 150.610 10.000 1.115 1.00 0.00 O ATOM 0 H SER A 74 149.978 10.833 3.417 1.00 0.00 H new ATOM 0 HA SER A 74 148.747 8.145 3.192 1.00 0.00 H new ATOM 0 HB2 SER A 74 150.207 7.981 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 74 148.803 9.023 0.976 1.00 0.00 H new ATOM 0 HG SER A 74 150.719 10.031 0.142 1.00 0.00 H new ATOM 1214 N LEU A 75 151.190 7.026 3.299 1.00 0.00 N ATOM 1215 CA LEU A 75 152.376 6.379 3.862 1.00 0.00 C ATOM 1216 C LEU A 75 153.533 6.407 2.862 1.00 0.00 C ATOM 1217 O LEU A 75 153.364 6.030 1.702 1.00 0.00 O ATOM 1218 CB LEU A 75 152.061 4.928 4.256 1.00 0.00 C ATOM 1219 CG LEU A 75 150.859 4.735 5.195 1.00 0.00 C ATOM 1220 CD1 LEU A 75 150.935 5.687 6.380 1.00 0.00 C ATOM 1221 CD2 LEU A 75 149.549 4.922 4.442 1.00 0.00 C ATOM 0 H LEU A 75 150.672 6.450 2.635 1.00 0.00 H new ATOM 0 HA LEU A 75 152.671 6.931 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 75 151.883 4.355 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 75 152.943 4.502 4.734 1.00 0.00 H new ATOM 0 HG LEU A 75 150.892 3.715 5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 75 150.073 5.530 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 75 151.850 5.498 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 75 150.936 6.716 6.021 1.00 0.00 H new ATOM 0 HD21 LEU A 75 148.713 4.781 5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 75 149.510 5.928 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 75 149.485 4.191 3.636 1.00 0.00 H new ATOM 1233 N ARG A 76 154.706 6.857 3.317 1.00 0.00 N ATOM 1234 CA ARG A 76 155.888 6.934 2.456 1.00 0.00 C ATOM 1235 C ARG A 76 156.649 5.608 2.450 1.00 0.00 C ATOM 1236 O ARG A 76 157.280 5.240 3.444 1.00 0.00 O ATOM 1237 CB ARG A 76 156.819 8.064 2.914 1.00 0.00 C ATOM 1238 CG ARG A 76 156.238 9.458 2.726 1.00 0.00 C ATOM 1239 CD ARG A 76 157.303 10.453 2.283 1.00 0.00 C ATOM 1240 NE ARG A 76 157.045 11.800 2.793 1.00 0.00 N ATOM 1241 CZ ARG A 76 157.599 12.911 2.297 1.00 0.00 C ATOM 1242 NH1 ARG A 76 158.453 12.847 1.277 1.00 0.00 N ATOM 1243 NH2 ARG A 76 157.299 14.092 2.825 1.00 0.00 N ATOM 0 H ARG A 76 154.862 7.173 4.274 1.00 0.00 H new ATOM 0 HA ARG A 76 155.546 7.144 1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 76 157.058 7.920 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 76 157.757 7.995 2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 76 155.440 9.423 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 76 155.790 9.795 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 76 158.280 10.116 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 76 157.343 10.480 1.194 1.00 0.00 H new ATOM 0 HE ARG A 76 156.401 11.898 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 76 158.690 11.944 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 76 158.870 13.701 0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 76 156.647 14.150 3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 76 157.720 14.941 2.448 1.00 0.00 H new ATOM 1257 N ILE A 77 156.585 4.894 1.327 1.00 0.00 N ATOM 1258 CA ILE A 77 157.265 3.609 1.192 1.00 0.00 C ATOM 1259 C ILE A 77 158.194 3.603 -0.022 1.00 0.00 C ATOM 1260 O ILE A 77 157.798 3.999 -1.121 1.00 0.00 O ATOM 1261 CB ILE A 77 156.254 2.448 1.058 1.00 0.00 C ATOM 1262 CG1 ILE A 77 155.189 2.526 2.158 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.970 1.104 1.105 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.773 2.443 1.634 1.00 0.00 C ATOM 0 H ILE A 77 156.068 5.185 0.497 1.00 0.00 H new ATOM 0 HA ILE A 77 157.854 3.466 2.098 1.00 0.00 H new ATOM 0 HB ILE A 77 155.757 2.540 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 77 155.353 1.716 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 77 155.311 3.461 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 77 156.241 0.300 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 77 157.686 1.044 0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 77 157.496 1.005 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 77 153.073 2.505 2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 77 153.591 3.268 0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 77 153.633 1.497 1.112 1.00 0.00 H new ATOM 1276 N LEU A 78 159.429 3.144 0.184 1.00 0.00 N ATOM 1277 CA LEU A 78 160.414 3.076 -0.891 1.00 0.00 C ATOM 1278 C LEU A 78 160.548 1.644 -1.403 1.00 0.00 C ATOM 1279 O LEU A 78 160.849 0.728 -0.637 1.00 0.00 O ATOM 1280 CB LEU A 78 161.776 3.585 -0.406 1.00 0.00 C ATOM 1281 CG LEU A 78 162.567 4.405 -1.431 1.00 0.00 C ATOM 1282 CD1 LEU A 78 162.103 5.854 -1.432 1.00 0.00 C ATOM 1283 CD2 LEU A 78 164.060 4.320 -1.143 1.00 0.00 C ATOM 0 H LEU A 78 159.769 2.814 1.087 1.00 0.00 H new ATOM 0 HA LEU A 78 160.071 3.712 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 78 161.622 4.196 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 162.380 2.729 -0.105 1.00 0.00 H new ATOM 0 HG LEU A 78 162.383 3.988 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 78 162.677 6.419 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 78 161.044 5.897 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 78 162.255 6.285 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 78 164.607 4.908 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 164.261 4.711 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 78 164.382 3.280 -1.197 1.00 0.00 H new ATOM 1295 N LEU A 79 160.318 1.461 -2.702 1.00 0.00 N ATOM 1296 CA LEU A 79 160.409 0.140 -3.317 1.00 0.00 C ATOM 1297 C LEU A 79 161.777 -0.074 -3.958 1.00 0.00 C ATOM 1298 O LEU A 79 162.301 0.810 -4.638 1.00 0.00 O ATOM 1299 CB LEU A 79 159.314 -0.037 -4.370 1.00 0.00 C ATOM 1300 CG LEU A 79 157.896 0.277 -3.892 1.00 0.00 C ATOM 1301 CD1 LEU A 79 157.061 0.825 -5.038 1.00 0.00 C ATOM 1302 CD2 LEU A 79 157.245 -0.963 -3.295 1.00 0.00 C ATOM 0 H LEU A 79 160.068 2.210 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 79 160.274 -0.602 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 79 159.544 0.604 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 79 159.340 -1.066 -4.729 1.00 0.00 H new ATOM 0 HG LEU A 79 157.953 1.038 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 156.054 1.044 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 79 157.519 1.739 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 79 157.011 0.086 -5.837 1.00 0.00 H new ATOM 0 HD21 LEU A 79 156.237 -0.719 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 79 157.197 -1.748 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 79 157.834 -1.311 -2.447 1.00 0.00 H new ATOM 1314 N LEU A 80 162.348 -1.257 -3.738 1.00 0.00 N ATOM 1315 CA LEU A 80 163.655 -1.596 -4.294 1.00 0.00 C ATOM 1316 C LEU A 80 163.803 -3.106 -4.461 1.00 0.00 C ATOM 1317 O LEU A 80 163.441 -3.878 -3.571 1.00 0.00 O ATOM 1318 CB LEU A 80 164.780 -1.054 -3.402 1.00 0.00 C ATOM 1319 CG LEU A 80 164.555 -1.204 -1.893 1.00 0.00 C ATOM 1320 CD1 LEU A 80 165.536 -2.206 -1.301 1.00 0.00 C ATOM 1321 CD2 LEU A 80 164.682 0.146 -1.200 1.00 0.00 C ATOM 0 H LEU A 80 161.925 -1.997 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 80 163.730 -1.130 -5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 80 165.707 -1.563 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 80 164.922 0.003 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 80 163.545 -1.581 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 80 165.360 -2.298 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 80 165.396 -3.177 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 80 166.556 -1.862 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 80 164.519 0.022 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 165.680 0.550 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 80 163.938 0.833 -1.603 1.00 0.00 H new ATOM 1333 N SER A 81 164.339 -3.518 -5.611 1.00 0.00 N ATOM 1334 CA SER A 81 164.542 -4.934 -5.909 1.00 0.00 C ATOM 1335 C SER A 81 165.441 -5.590 -4.862 1.00 0.00 C ATOM 1336 O SER A 81 166.649 -5.344 -4.823 1.00 0.00 O ATOM 1337 CB SER A 81 165.149 -5.100 -7.306 1.00 0.00 C ATOM 1338 OG SER A 81 166.228 -4.201 -7.507 1.00 0.00 O ATOM 0 H SER A 81 164.641 -2.887 -6.353 1.00 0.00 H new ATOM 0 HA SER A 81 163.571 -5.429 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 81 165.497 -6.125 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 81 164.382 -4.927 -8.061 1.00 0.00 H new ATOM 0 HG SER A 81 166.807 -4.202 -6.716 1.00 0.00 H new ATOM 1344 N GLN A 82 164.841 -6.421 -4.012 1.00 0.00 N ATOM 1345 CA GLN A 82 165.580 -7.110 -2.961 1.00 0.00 C ATOM 1346 C GLN A 82 165.432 -8.625 -3.093 1.00 0.00 C ATOM 1347 O GLN A 82 164.898 -9.291 -2.203 1.00 0.00 O ATOM 1348 CB GLN A 82 165.099 -6.641 -1.584 1.00 0.00 C ATOM 1349 CG GLN A 82 166.047 -7.001 -0.450 1.00 0.00 C ATOM 1350 CD GLN A 82 166.971 -5.858 -0.076 1.00 0.00 C ATOM 1351 OE1 GLN A 82 166.789 -5.210 0.954 1.00 0.00 O ATOM 1352 NE2 GLN A 82 167.970 -5.604 -0.914 1.00 0.00 N ATOM 0 H GLN A 82 163.843 -6.632 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 82 166.637 -6.865 -3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 82 164.965 -5.559 -1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 82 164.122 -7.079 -1.382 1.00 0.00 H new ATOM 0 HG2 GLN A 82 165.466 -7.295 0.424 1.00 0.00 H new ATOM 0 HG3 GLN A 82 166.644 -7.865 -0.741 1.00 0.00 H new ATOM 0 HE21 GLN A 82 168.084 -6.167 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 82 168.623 -4.846 -0.714 1.00 0.00 H new ATOM 1361 N ASP A 83 165.919 -9.163 -4.209 1.00 0.00 N ATOM 1362 CA ASP A 83 165.852 -10.599 -4.458 1.00 0.00 C ATOM 1363 C ASP A 83 167.184 -11.264 -4.108 1.00 0.00 C ATOM 1364 O ASP A 83 167.745 -12.017 -4.905 1.00 0.00 O ATOM 1365 CB ASP A 83 165.485 -10.873 -5.920 1.00 0.00 C ATOM 1366 CG ASP A 83 164.643 -12.123 -6.077 1.00 0.00 C ATOM 1367 OD1 ASP A 83 163.443 -12.080 -5.730 1.00 0.00 O ATOM 1368 OD2 ASP A 83 165.183 -13.148 -6.543 1.00 0.00 O ATOM 0 H ASP A 83 166.364 -8.626 -4.954 1.00 0.00 H new ATOM 0 HA ASP A 83 165.075 -11.024 -3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 83 164.941 -10.018 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 83 166.397 -10.976 -6.508 1.00 0.00 H new ATOM 1373 N ARG A 84 167.684 -10.972 -2.903 1.00 0.00 N ATOM 1374 CA ARG A 84 168.951 -11.530 -2.427 1.00 0.00 C ATOM 1375 C ARG A 84 170.086 -11.281 -3.432 1.00 0.00 C ATOM 1376 O ARG A 84 170.994 -12.102 -3.571 1.00 0.00 O ATOM 1377 CB ARG A 84 168.798 -13.031 -2.148 1.00 0.00 C ATOM 1378 CG ARG A 84 168.160 -13.337 -0.800 1.00 0.00 C ATOM 1379 CD ARG A 84 166.933 -14.227 -0.944 1.00 0.00 C ATOM 1380 NE ARG A 84 165.908 -13.626 -1.800 1.00 0.00 N ATOM 1381 CZ ARG A 84 164.627 -13.999 -1.806 1.00 0.00 C ATOM 1382 NH1 ARG A 84 164.199 -14.960 -0.993 1.00 0.00 N ATOM 1383 NH2 ARG A 84 163.767 -13.411 -2.631 1.00 0.00 N ATOM 0 H ARG A 84 167.227 -10.349 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 84 169.215 -11.024 -1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 84 168.194 -13.479 -2.937 1.00 0.00 H new ATOM 0 HB3 ARG A 84 169.780 -13.502 -2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 84 168.890 -13.826 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 84 167.877 -12.404 -0.312 1.00 0.00 H new ATOM 0 HD2 ARG A 84 167.232 -15.189 -1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 84 166.511 -14.423 0.042 1.00 0.00 H new ATOM 0 HE ARG A 84 166.191 -12.876 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 84 164.852 -15.419 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 84 163.218 -15.238 -1.005 1.00 0.00 H new ATOM 0 HH21 ARG A 84 164.086 -12.674 -3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 84 162.788 -13.697 -2.635 1.00 0.00 H new ATOM 1397 N ASN A 85 170.029 -10.139 -4.126 1.00 0.00 N ATOM 1398 CA ASN A 85 171.051 -9.781 -5.112 1.00 0.00 C ATOM 1399 C ASN A 85 171.302 -8.272 -5.125 1.00 0.00 C ATOM 1400 O ASN A 85 170.454 -7.490 -4.691 1.00 0.00 O ATOM 1401 CB ASN A 85 170.635 -10.248 -6.511 1.00 0.00 C ATOM 1402 CG ASN A 85 171.778 -10.911 -7.257 1.00 0.00 C ATOM 1403 OD1 ASN A 85 171.975 -12.122 -7.160 1.00 0.00 O ATOM 1404 ND2 ASN A 85 172.541 -10.120 -8.006 1.00 0.00 N ATOM 0 H ASN A 85 169.286 -9.448 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 85 171.976 -10.283 -4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 85 169.804 -10.948 -6.426 1.00 0.00 H new ATOM 0 HB3 ASN A 85 170.275 -9.394 -7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 85 173.325 -10.513 -8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 85 172.343 -9.121 -8.058 1.00 0.00 H new ATOM 1411 N LEU A 86 172.473 -7.875 -5.632 1.00 0.00 N ATOM 1412 CA LEU A 86 172.844 -6.461 -5.711 1.00 0.00 C ATOM 1413 C LEU A 86 173.786 -6.199 -6.887 1.00 0.00 C ATOM 1414 O LEU A 86 174.806 -6.874 -7.038 1.00 0.00 O ATOM 1415 CB LEU A 86 173.506 -6.001 -4.406 1.00 0.00 C ATOM 1416 CG LEU A 86 174.638 -6.898 -3.894 1.00 0.00 C ATOM 1417 CD1 LEU A 86 175.994 -6.347 -4.313 1.00 0.00 C ATOM 1418 CD2 LEU A 86 174.560 -7.039 -2.380 1.00 0.00 C ATOM 0 H LEU A 86 173.180 -8.515 -5.994 1.00 0.00 H new ATOM 0 HA LEU A 86 171.928 -5.891 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 86 173.900 -4.995 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 86 172.740 -5.934 -3.633 1.00 0.00 H new ATOM 0 HG LEU A 86 174.522 -7.886 -4.339 1.00 0.00 H new ATOM 0 HD11 LEU A 86 176.783 -6.999 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 86 176.047 -6.300 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 86 176.124 -5.347 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 86 175.371 -7.679 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 86 174.650 -6.056 -1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 86 173.603 -7.483 -2.105 1.00 0.00 H new ATOM 1430 N GLU A 87 173.439 -5.212 -7.713 1.00 0.00 N ATOM 1431 CA GLU A 87 174.254 -4.854 -8.871 1.00 0.00 C ATOM 1432 C GLU A 87 174.813 -3.441 -8.724 1.00 0.00 C ATOM 1433 O GLU A 87 174.340 -2.501 -9.368 1.00 0.00 O ATOM 1434 CB GLU A 87 173.429 -4.964 -10.156 1.00 0.00 C ATOM 1435 CG GLU A 87 173.402 -6.366 -10.743 1.00 0.00 C ATOM 1436 CD GLU A 87 172.037 -7.017 -10.635 1.00 0.00 C ATOM 1437 OE1 GLU A 87 171.074 -6.480 -11.221 1.00 0.00 O ATOM 1438 OE2 GLU A 87 171.929 -8.063 -9.962 1.00 0.00 O ATOM 0 H GLU A 87 172.598 -4.646 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 87 175.090 -5.551 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 87 172.407 -4.645 -9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 87 173.834 -4.276 -10.898 1.00 0.00 H new ATOM 0 HG2 GLU A 87 173.698 -6.323 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 87 174.137 -6.985 -10.229 1.00 0.00 H new ATOM 1445 N HIS A 88 175.824 -3.296 -7.869 1.00 0.00 N ATOM 1446 CA HIS A 88 176.449 -1.997 -7.634 1.00 0.00 C ATOM 1447 C HIS A 88 177.533 -1.716 -8.676 1.00 0.00 C ATOM 1448 O HIS A 88 178.723 -1.912 -8.420 1.00 0.00 O ATOM 1449 CB HIS A 88 177.037 -1.938 -6.220 1.00 0.00 C ATOM 1450 CG HIS A 88 176.264 -1.058 -5.288 1.00 0.00 C ATOM 1451 ND1 HIS A 88 176.188 0.311 -5.434 1.00 0.00 N ATOM 1452 CD2 HIS A 88 175.527 -1.359 -4.192 1.00 0.00 C ATOM 1453 CE1 HIS A 88 175.441 0.814 -4.467 1.00 0.00 C ATOM 1454 NE2 HIS A 88 175.027 -0.178 -3.701 1.00 0.00 N ATOM 0 H HIS A 88 176.227 -4.061 -7.328 1.00 0.00 H new ATOM 0 HA HIS A 88 175.683 -1.227 -7.727 1.00 0.00 H new ATOM 0 HB2 HIS A 88 177.074 -2.946 -5.808 1.00 0.00 H new ATOM 0 HB3 HIS A 88 178.065 -1.579 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 88 175.363 -2.344 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 88 175.209 1.859 -4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 88 174.432 -0.083 -2.878 1.00 0.00 H new ATOM 1463 N HIS A 89 177.107 -1.259 -9.854 1.00 0.00 N ATOM 1464 CA HIS A 89 178.030 -0.951 -10.946 1.00 0.00 C ATOM 1465 C HIS A 89 177.394 0.025 -11.942 1.00 0.00 C ATOM 1466 O HIS A 89 176.271 0.493 -11.738 1.00 0.00 O ATOM 1467 CB HIS A 89 178.449 -2.243 -11.663 1.00 0.00 C ATOM 1468 CG HIS A 89 179.933 -2.403 -11.829 1.00 0.00 C ATOM 1469 ND1 HIS A 89 180.822 -1.346 -11.780 1.00 0.00 N ATOM 1470 CD2 HIS A 89 180.685 -3.510 -12.049 1.00 0.00 C ATOM 1471 CE1 HIS A 89 182.050 -1.796 -11.965 1.00 0.00 C ATOM 1472 NE2 HIS A 89 181.995 -3.104 -12.129 1.00 0.00 N ATOM 0 H HIS A 89 176.125 -1.094 -10.076 1.00 0.00 H new ATOM 0 HA HIS A 89 178.915 -0.476 -10.522 1.00 0.00 H new ATOM 0 HB2 HIS A 89 178.063 -3.096 -11.105 1.00 0.00 H new ATOM 0 HB3 HIS A 89 177.980 -2.267 -12.647 1.00 0.00 H new ATOM 0 HD2 HIS A 89 180.322 -4.523 -12.144 1.00 0.00 H new ATOM 0 HE1 HIS A 89 182.947 -1.195 -11.980 1.00 0.00 H new ATOM 0 HE2 HIS A 89 182.796 -3.715 -12.289 1.00 0.00 H new ATOM 1481 N HIS A 90 178.120 0.327 -13.019 1.00 0.00 N ATOM 1482 CA HIS A 90 177.633 1.243 -14.048 1.00 0.00 C ATOM 1483 C HIS A 90 176.672 0.534 -15.002 1.00 0.00 C ATOM 1484 O HIS A 90 176.788 -0.671 -15.236 1.00 0.00 O ATOM 1485 CB HIS A 90 178.810 1.839 -14.829 1.00 0.00 C ATOM 1486 CG HIS A 90 179.470 2.989 -14.129 1.00 0.00 C ATOM 1487 ND1 HIS A 90 178.889 4.236 -14.015 1.00 0.00 N ATOM 1488 CD2 HIS A 90 180.664 3.076 -13.494 1.00 0.00 C ATOM 1489 CE1 HIS A 90 179.697 5.037 -13.343 1.00 0.00 C ATOM 1490 NE2 HIS A 90 180.780 4.358 -13.015 1.00 0.00 N ATOM 0 H HIS A 90 179.050 -0.051 -13.201 1.00 0.00 H new ATOM 0 HA HIS A 90 177.090 2.049 -13.555 1.00 0.00 H new ATOM 0 HB2 HIS A 90 179.550 1.059 -15.007 1.00 0.00 H new ATOM 0 HB3 HIS A 90 178.457 2.172 -15.805 1.00 0.00 H new ATOM 0 HD2 HIS A 90 181.390 2.284 -13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 90 179.504 6.072 -13.103 1.00 0.00 H new ATOM 0 HE2 HIS A 90 181.574 4.726 -12.491 1.00 0.00 H new ATOM 1499 N HIS A 91 175.719 1.294 -15.544 1.00 0.00 N ATOM 1500 CA HIS A 91 174.729 0.749 -16.469 1.00 0.00 C ATOM 1501 C HIS A 91 174.426 1.741 -17.594 1.00 0.00 C ATOM 1502 O HIS A 91 174.427 2.956 -17.382 1.00 0.00 O ATOM 1503 CB HIS A 91 173.440 0.381 -15.717 1.00 0.00 C ATOM 1504 CG HIS A 91 172.901 1.481 -14.846 1.00 0.00 C ATOM 1505 ND1 HIS A 91 173.558 1.947 -13.725 1.00 0.00 N ATOM 1506 CD2 HIS A 91 171.759 2.208 -14.936 1.00 0.00 C ATOM 1507 CE1 HIS A 91 172.847 2.911 -13.167 1.00 0.00 C ATOM 1508 NE2 HIS A 91 171.751 3.088 -13.881 1.00 0.00 N ATOM 0 H HIS A 91 175.613 2.291 -15.357 1.00 0.00 H new ATOM 0 HA HIS A 91 175.143 -0.154 -16.917 1.00 0.00 H new ATOM 0 HB2 HIS A 91 172.677 0.100 -16.443 1.00 0.00 H new ATOM 0 HB3 HIS A 91 173.631 -0.496 -15.099 1.00 0.00 H new ATOM 0 HD2 HIS A 91 170.998 2.113 -15.696 1.00 0.00 H new ATOM 0 HE1 HIS A 91 173.117 3.461 -12.278 1.00 0.00 H new ATOM 0 HE2 HIS A 91 171.017 3.768 -13.682 1.00 0.00 H new ATOM 1517 N HIS A 92 174.178 1.213 -18.796 1.00 0.00 N ATOM 1518 CA HIS A 92 173.885 2.048 -19.958 1.00 0.00 C ATOM 1519 C HIS A 92 172.415 1.942 -20.364 1.00 0.00 C ATOM 1520 O HIS A 92 171.918 0.851 -20.652 1.00 0.00 O ATOM 1521 CB HIS A 92 174.779 1.649 -21.134 1.00 0.00 C ATOM 1522 CG HIS A 92 176.136 2.281 -21.096 1.00 0.00 C ATOM 1523 ND1 HIS A 92 177.307 1.552 -21.073 1.00 0.00 N ATOM 1524 CD2 HIS A 92 176.506 3.583 -21.076 1.00 0.00 C ATOM 1525 CE1 HIS A 92 178.337 2.378 -21.041 1.00 0.00 C ATOM 1526 NE2 HIS A 92 177.878 3.616 -21.042 1.00 0.00 N ATOM 0 H HIS A 92 174.175 0.211 -18.987 1.00 0.00 H new ATOM 0 HA HIS A 92 174.088 3.083 -19.684 1.00 0.00 H new ATOM 0 HB2 HIS A 92 174.892 0.565 -21.142 1.00 0.00 H new ATOM 0 HB3 HIS A 92 174.285 1.925 -22.065 1.00 0.00 H new ATOM 0 HD2 HIS A 92 175.845 4.437 -21.085 1.00 0.00 H new ATOM 0 HE1 HIS A 92 179.378 2.090 -21.018 1.00 0.00 H new ATOM 0 HE2 HIS A 92 178.450 4.460 -21.021 1.00 0.00 H new ATOM 1535 N HIS A 93 171.729 3.088 -20.386 1.00 0.00 N ATOM 1536 CA HIS A 93 170.310 3.146 -20.756 1.00 0.00 C ATOM 1537 C HIS A 93 169.430 2.468 -19.699 1.00 0.00 C ATOM 1538 O HIS A 93 169.980 1.967 -18.694 1.00 0.00 O ATOM 1539 CB HIS A 93 170.081 2.500 -22.135 1.00 0.00 C ATOM 1540 CG HIS A 93 169.874 3.490 -23.246 1.00 0.00 C ATOM 1541 ND1 HIS A 93 169.588 3.117 -24.544 1.00 0.00 N ATOM 1542 CD2 HIS A 93 169.912 4.845 -23.248 1.00 0.00 C ATOM 1543 CE1 HIS A 93 169.462 4.198 -25.294 1.00 0.00 C ATOM 1544 NE2 HIS A 93 169.653 5.259 -24.531 1.00 0.00 N ATOM 1545 OXT HIS A 93 168.195 2.454 -19.881 1.00 0.00 O ATOM 0 H HIS A 93 172.135 3.994 -20.151 1.00 0.00 H new ATOM 0 HA HIS A 93 170.025 4.197 -20.810 1.00 0.00 H new ATOM 0 HB2 HIS A 93 170.938 1.871 -22.377 1.00 0.00 H new ATOM 0 HB3 HIS A 93 169.211 1.846 -22.078 1.00 0.00 H new ATOM 0 HD2 HIS A 93 170.109 5.481 -22.398 1.00 0.00 H new ATOM 0 HE1 HIS A 93 169.241 4.211 -26.351 1.00 0.00 H new ATOM 0 HE2 HIS A 93 169.614 6.229 -24.844 1.00 0.00 H new TER 1554 HIS A 93