USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=12 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 92 HIS : no HD1:sc= -0.0182 X(o=-0.091,f=-0.078) USER MOD Set 1.2: A 93 HIS : no HD1:sc= -0.0733 X(o=-0.091,f=-0.25) USER MOD Set 2.1: A 69 SER OG : rot -93:sc= 0.207 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.267 USER MOD Set 3.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 ASN : amide:sc= -0.065 X(o=-0.065,f=0) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0486 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.396 K(o=-0.4,f=-0.93) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.28) 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 100:sc= 1.05 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 38 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.025) 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) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.12) USER MOD Single : A 90 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.0021) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 139.327 -1.189 11.631 1.00 0.00 N ATOM 2 CA GLN A 1 139.461 -1.410 10.164 1.00 0.00 C ATOM 3 C GLN A 1 138.884 -0.238 9.373 1.00 0.00 C ATOM 4 O GLN A 1 137.781 0.232 9.656 1.00 0.00 O ATOM 5 CB GLN A 1 138.737 -2.710 9.793 1.00 0.00 C ATOM 6 CG GLN A 1 139.545 -3.965 10.093 1.00 0.00 C ATOM 7 CD GLN A 1 138.803 -4.937 10.991 1.00 0.00 C ATOM 8 OE1 GLN A 1 137.990 -5.735 10.523 1.00 0.00 O ATOM 9 NE2 GLN A 1 139.080 -4.877 12.289 1.00 0.00 N ATOM 0 H1 GLN A 1 139.727 -2.001 12.142 1.00 0.00 H new ATOM 0 H2 GLN A 1 139.838 -0.324 11.900 1.00 0.00 H new ATOM 0 H3 GLN A 1 138.321 -1.087 11.876 1.00 0.00 H new ATOM 0 HA GLN A 1 140.518 -1.487 9.911 1.00 0.00 H new ATOM 0 HB2 GLN A 1 137.793 -2.758 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 1 138.494 -2.690 8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 1 139.798 -4.462 9.157 1.00 0.00 H new ATOM 0 HG3 GLN A 1 140.485 -3.683 10.568 1.00 0.00 H new ATOM 0 HE21 GLN A 1 139.761 -4.200 12.634 1.00 0.00 H new ATOM 0 HE22 GLN A 1 138.612 -5.508 12.940 1.00 0.00 H new ATOM 17 N SER A 2 139.643 0.231 8.384 1.00 0.00 N ATOM 18 CA SER A 2 139.217 1.350 7.549 1.00 0.00 C ATOM 19 C SER A 2 140.029 1.405 6.257 1.00 0.00 C ATOM 20 O SER A 2 141.142 0.878 6.193 1.00 0.00 O ATOM 21 CB SER A 2 139.364 2.668 8.316 1.00 0.00 C ATOM 22 OG SER A 2 139.139 3.785 7.470 1.00 0.00 O ATOM 0 H SER A 2 140.558 -0.149 8.142 1.00 0.00 H new ATOM 0 HA SER A 2 138.168 1.202 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 138.657 2.689 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 140.363 2.731 8.747 1.00 0.00 H new ATOM 0 HG SER A 2 139.238 4.612 7.987 1.00 0.00 H new ATOM 28 N ASP A 3 139.469 2.050 5.234 1.00 0.00 N ATOM 29 CA ASP A 3 140.148 2.177 3.949 1.00 0.00 C ATOM 30 C ASP A 3 141.308 3.163 4.050 1.00 0.00 C ATOM 31 O ASP A 3 141.102 4.372 4.165 1.00 0.00 O ATOM 32 CB ASP A 3 139.173 2.628 2.857 1.00 0.00 C ATOM 33 CG ASP A 3 139.718 2.380 1.463 1.00 0.00 C ATOM 34 OD1 ASP A 3 140.792 2.930 1.136 1.00 0.00 O ATOM 35 OD2 ASP A 3 139.074 1.633 0.697 1.00 0.00 O ATOM 0 H ASP A 3 138.550 2.491 5.272 1.00 0.00 H new ATOM 0 HA ASP A 3 140.541 1.196 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 3 138.228 2.098 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 3 138.960 3.690 2.978 1.00 0.00 H new ATOM 40 N VAL A 4 142.526 2.635 4.005 1.00 0.00 N ATOM 41 CA VAL A 4 143.721 3.463 4.091 1.00 0.00 C ATOM 42 C VAL A 4 144.317 3.707 2.707 1.00 0.00 C ATOM 43 O VAL A 4 144.567 2.765 1.952 1.00 0.00 O ATOM 44 CB VAL A 4 144.789 2.817 5.000 1.00 0.00 C ATOM 45 CG1 VAL A 4 145.965 3.760 5.205 1.00 0.00 C ATOM 46 CG2 VAL A 4 144.188 2.412 6.341 1.00 0.00 C ATOM 0 H VAL A 4 142.711 1.636 3.909 1.00 0.00 H new ATOM 0 HA VAL A 4 143.420 4.416 4.525 1.00 0.00 H new ATOM 0 HB VAL A 4 145.153 1.917 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 4 146.705 3.284 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 4 146.418 3.992 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 4 145.616 4.681 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 4 144.960 1.959 6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 4 143.789 3.294 6.842 1.00 0.00 H new ATOM 0 HG23 VAL A 4 143.385 1.693 6.178 1.00 0.00 H new ATOM 56 N ARG A 5 144.541 4.979 2.381 1.00 0.00 N ATOM 57 CA ARG A 5 145.108 5.352 1.088 1.00 0.00 C ATOM 58 C ARG A 5 146.633 5.327 1.135 1.00 0.00 C ATOM 59 O ARG A 5 147.251 6.026 1.943 1.00 0.00 O ATOM 60 CB ARG A 5 144.624 6.746 0.678 1.00 0.00 C ATOM 61 CG ARG A 5 143.643 6.732 -0.484 1.00 0.00 C ATOM 62 CD ARG A 5 142.760 7.971 -0.487 1.00 0.00 C ATOM 63 NE ARG A 5 143.009 8.821 -1.651 1.00 0.00 N ATOM 64 CZ ARG A 5 144.015 9.696 -1.738 1.00 0.00 C ATOM 65 NH1 ARG A 5 144.877 9.836 -0.733 1.00 0.00 N ATOM 66 NH2 ARG A 5 144.160 10.431 -2.834 1.00 0.00 N ATOM 0 H ARG A 5 144.338 5.768 2.995 1.00 0.00 H new ATOM 0 HA ARG A 5 144.772 4.625 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 5 144.151 7.224 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 5 145.486 7.356 0.408 1.00 0.00 H new ATOM 0 HG2 ARG A 5 144.192 6.674 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 5 143.019 5.840 -0.423 1.00 0.00 H new ATOM 0 HD2 ARG A 5 141.713 7.669 -0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 5 142.936 8.543 0.424 1.00 0.00 H new ATOM 0 HE ARG A 5 142.375 8.741 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 5 144.772 9.273 0.111 1.00 0.00 H new ATOM 0 HH12 ARG A 5 145.642 10.506 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 5 143.504 10.327 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 5 144.927 11.099 -2.902 1.00 0.00 H new ATOM 80 N ILE A 6 147.234 4.518 0.265 1.00 0.00 N ATOM 81 CA ILE A 6 148.687 4.397 0.203 1.00 0.00 C ATOM 82 C ILE A 6 149.230 4.989 -1.097 1.00 0.00 C ATOM 83 O ILE A 6 148.744 4.673 -2.185 1.00 0.00 O ATOM 84 CB ILE A 6 149.137 2.924 0.317 1.00 0.00 C ATOM 85 CG1 ILE A 6 148.447 2.242 1.504 1.00 0.00 C ATOM 86 CG2 ILE A 6 150.652 2.840 0.459 1.00 0.00 C ATOM 87 CD1 ILE A 6 148.606 0.736 1.515 1.00 0.00 C ATOM 0 H ILE A 6 146.735 3.936 -0.408 1.00 0.00 H new ATOM 0 HA ILE A 6 149.089 4.954 1.049 1.00 0.00 H new ATOM 0 HB ILE A 6 148.847 2.403 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 6 148.852 2.648 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.385 2.487 1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.953 1.795 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 6 151.125 3.288 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.964 3.376 1.355 1.00 0.00 H new ATOM 0 HD11 ILE A 6 148.092 0.322 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 6 148.176 0.318 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 6 149.665 0.482 1.565 1.00 0.00 H new ATOM 99 N LYS A 7 150.240 5.849 -0.973 1.00 0.00 N ATOM 100 CA LYS A 7 150.855 6.488 -2.133 1.00 0.00 C ATOM 101 C LYS A 7 152.201 5.842 -2.456 1.00 0.00 C ATOM 102 O LYS A 7 153.153 5.944 -1.679 1.00 0.00 O ATOM 103 CB LYS A 7 151.036 7.987 -1.878 1.00 0.00 C ATOM 104 CG LYS A 7 149.841 8.826 -2.306 1.00 0.00 C ATOM 105 CD LYS A 7 149.927 10.245 -1.762 1.00 0.00 C ATOM 106 CE LYS A 7 150.972 11.066 -2.504 1.00 0.00 C ATOM 107 NZ LYS A 7 151.724 11.975 -1.593 1.00 0.00 N ATOM 0 H LYS A 7 150.650 6.119 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 7 150.194 6.353 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 7 151.220 8.147 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 7 151.922 8.333 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 149.788 8.856 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 7 148.922 8.357 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 7 148.954 10.729 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 7 150.174 10.214 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 7 151.671 10.395 -3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 7 150.485 11.655 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 152.424 12.514 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 151.062 12.633 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 152.211 11.413 -0.866 1.00 0.00 H new ATOM 121 N PHE A 8 152.270 5.173 -3.607 1.00 0.00 N ATOM 122 CA PHE A 8 153.494 4.502 -4.041 1.00 0.00 C ATOM 123 C PHE A 8 154.285 5.376 -5.013 1.00 0.00 C ATOM 124 O PHE A 8 153.702 6.090 -5.832 1.00 0.00 O ATOM 125 CB PHE A 8 153.156 3.164 -4.704 1.00 0.00 C ATOM 126 CG PHE A 8 152.776 2.086 -3.726 1.00 0.00 C ATOM 127 CD1 PHE A 8 151.459 1.930 -3.321 1.00 0.00 C ATOM 128 CD2 PHE A 8 153.736 1.226 -3.216 1.00 0.00 C ATOM 129 CE1 PHE A 8 151.109 0.939 -2.423 1.00 0.00 C ATOM 130 CE2 PHE A 8 153.391 0.235 -2.318 1.00 0.00 C ATOM 131 CZ PHE A 8 152.076 0.089 -1.922 1.00 0.00 C ATOM 0 H PHE A 8 151.489 5.082 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 8 154.110 4.323 -3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 8 152.335 3.313 -5.405 1.00 0.00 H new ATOM 0 HB3 PHE A 8 154.015 2.829 -5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 8 150.698 2.590 -3.711 1.00 0.00 H new ATOM 0 HD2 PHE A 8 154.766 1.332 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 8 150.080 0.829 -2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 8 154.150 -0.426 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 8 151.804 -0.688 -1.222 1.00 0.00 H new ATOM 141 N GLU A 9 155.614 5.311 -4.919 1.00 0.00 N ATOM 142 CA GLU A 9 156.484 6.096 -5.791 1.00 0.00 C ATOM 143 C GLU A 9 157.641 5.251 -6.323 1.00 0.00 C ATOM 144 O GLU A 9 158.364 4.615 -5.554 1.00 0.00 O ATOM 145 CB GLU A 9 157.028 7.316 -5.043 1.00 0.00 C ATOM 146 CG GLU A 9 157.073 8.577 -5.892 1.00 0.00 C ATOM 147 CD GLU A 9 157.499 9.799 -5.102 1.00 0.00 C ATOM 148 OE1 GLU A 9 156.710 10.260 -4.249 1.00 0.00 O ATOM 149 OE2 GLU A 9 158.620 10.298 -5.337 1.00 0.00 O ATOM 0 H GLU A 9 156.109 4.723 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 9 155.889 6.434 -6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 9 156.408 7.500 -4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 9 158.033 7.094 -4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 9 157.764 8.427 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 9 156.088 8.754 -6.325 1.00 0.00 H new ATOM 156 N HIS A 10 157.810 5.255 -7.646 1.00 0.00 N ATOM 157 CA HIS A 10 158.876 4.497 -8.293 1.00 0.00 C ATOM 158 C HIS A 10 159.358 5.216 -9.549 1.00 0.00 C ATOM 159 O HIS A 10 158.589 5.418 -10.490 1.00 0.00 O ATOM 160 CB HIS A 10 158.388 3.091 -8.653 1.00 0.00 C ATOM 161 CG HIS A 10 159.458 2.203 -9.213 1.00 0.00 C ATOM 162 ND1 HIS A 10 159.252 1.368 -10.290 1.00 0.00 N ATOM 163 CD2 HIS A 10 160.747 2.019 -8.837 1.00 0.00 C ATOM 164 CE1 HIS A 10 160.366 0.708 -10.553 1.00 0.00 C ATOM 165 NE2 HIS A 10 161.288 1.085 -9.687 1.00 0.00 N ATOM 0 H HIS A 10 157.218 5.778 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 10 159.709 4.415 -7.594 1.00 0.00 H new ATOM 0 HB2 HIS A 10 157.970 2.623 -7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 10 157.580 3.172 -9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 10 161.254 2.514 -8.022 1.00 0.00 H new ATOM 0 HE1 HIS A 10 160.499 -0.017 -11.342 1.00 0.00 H new ATOM 0 HE2 HIS A 10 162.247 0.739 -9.654 1.00 0.00 H new ATOM 174 N ASN A 11 160.636 5.602 -9.556 1.00 0.00 N ATOM 175 CA ASN A 11 161.227 6.304 -10.695 1.00 0.00 C ATOM 176 C ASN A 11 160.479 7.609 -10.987 1.00 0.00 C ATOM 177 O ASN A 11 160.333 8.009 -12.145 1.00 0.00 O ATOM 178 CB ASN A 11 161.227 5.404 -11.937 1.00 0.00 C ATOM 179 CG ASN A 11 162.490 5.559 -12.764 1.00 0.00 C ATOM 180 OD1 ASN A 11 163.038 6.656 -12.883 1.00 0.00 O ATOM 181 ND2 ASN A 11 162.964 4.459 -13.340 1.00 0.00 N ATOM 0 H ASN A 11 161.282 5.439 -8.783 1.00 0.00 H new ATOM 0 HA ASN A 11 162.257 6.552 -10.439 1.00 0.00 H new ATOM 0 HB2 ASN A 11 161.123 4.364 -11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 11 160.360 5.641 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 11 163.812 4.504 -13.905 1.00 0.00 H new ATOM 0 HD22 ASN A 11 162.480 3.570 -13.217 1.00 0.00 H new ATOM 188 N GLY A 12 160.008 8.269 -9.928 1.00 0.00 N ATOM 189 CA GLY A 12 159.282 9.520 -10.088 1.00 0.00 C ATOM 190 C GLY A 12 157.816 9.322 -10.463 1.00 0.00 C ATOM 191 O GLY A 12 157.115 10.293 -10.751 1.00 0.00 O ATOM 0 H GLY A 12 160.117 7.959 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 12 159.339 10.087 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 12 159.769 10.119 -10.857 1.00 0.00 H new ATOM 195 N GLU A 13 157.349 8.069 -10.460 1.00 0.00 N ATOM 196 CA GLU A 13 155.962 7.763 -10.803 1.00 0.00 C ATOM 197 C GLU A 13 155.130 7.533 -9.543 1.00 0.00 C ATOM 198 O GLU A 13 155.318 6.540 -8.837 1.00 0.00 O ATOM 199 CB GLU A 13 155.899 6.530 -11.709 1.00 0.00 C ATOM 200 CG GLU A 13 154.793 6.594 -12.754 1.00 0.00 C ATOM 201 CD GLU A 13 155.014 5.634 -13.909 1.00 0.00 C ATOM 202 OE1 GLU A 13 156.157 5.555 -14.409 1.00 0.00 O ATOM 203 OE2 GLU A 13 154.042 4.960 -14.313 1.00 0.00 O ATOM 0 H GLU A 13 157.913 7.253 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 13 155.546 8.617 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 13 156.858 6.412 -12.214 1.00 0.00 H new ATOM 0 HB3 GLU A 13 155.753 5.644 -11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 13 153.838 6.369 -12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 13 154.725 7.611 -13.141 1.00 0.00 H new ATOM 210 N ARG A 14 154.213 8.460 -9.266 1.00 0.00 N ATOM 211 CA ARG A 14 153.352 8.364 -8.090 1.00 0.00 C ATOM 212 C ARG A 14 152.017 7.706 -8.435 1.00 0.00 C ATOM 213 O ARG A 14 151.453 7.946 -9.506 1.00 0.00 O ATOM 214 CB ARG A 14 153.115 9.754 -7.486 1.00 0.00 C ATOM 215 CG ARG A 14 152.398 10.721 -8.417 1.00 0.00 C ATOM 216 CD ARG A 14 151.591 11.749 -7.639 1.00 0.00 C ATOM 217 NE ARG A 14 150.439 12.233 -8.400 1.00 0.00 N ATOM 218 CZ ARG A 14 149.292 11.560 -8.533 1.00 0.00 C ATOM 219 NH1 ARG A 14 149.145 10.360 -7.974 1.00 0.00 N ATOM 220 NH2 ARG A 14 148.293 12.087 -9.233 1.00 0.00 N ATOM 0 H ARG A 14 154.048 9.286 -9.841 1.00 0.00 H new ATOM 0 HA ARG A 14 153.859 7.739 -7.354 1.00 0.00 H new ATOM 0 HB2 ARG A 14 152.532 9.647 -6.572 1.00 0.00 H new ATOM 0 HB3 ARG A 14 154.076 10.184 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 14 153.128 11.230 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 14 151.737 10.165 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 14 151.248 11.307 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 14 152.232 12.591 -7.378 1.00 0.00 H new ATOM 0 HE ARG A 14 150.516 13.141 -8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 14 149.911 9.949 -7.440 1.00 0.00 H new ATOM 0 HH12 ARG A 14 148.267 9.852 -8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 14 148.402 13.003 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 14 147.417 11.575 -9.336 1.00 0.00 H new ATOM 234 N ARG A 15 151.516 6.877 -7.518 1.00 0.00 N ATOM 235 CA ARG A 15 150.245 6.184 -7.718 1.00 0.00 C ATOM 236 C ARG A 15 149.472 6.066 -6.406 1.00 0.00 C ATOM 237 O ARG A 15 150.059 5.834 -5.347 1.00 0.00 O ATOM 238 CB ARG A 15 150.484 4.795 -8.316 1.00 0.00 C ATOM 239 CG ARG A 15 150.048 4.681 -9.767 1.00 0.00 C ATOM 240 CD ARG A 15 150.314 3.292 -10.325 1.00 0.00 C ATOM 241 NE ARG A 15 149.809 3.146 -11.689 1.00 0.00 N ATOM 242 CZ ARG A 15 150.409 3.658 -12.767 1.00 0.00 C ATOM 243 NH1 ARG A 15 151.539 4.355 -12.644 1.00 0.00 N ATOM 244 NH2 ARG A 15 149.878 3.475 -13.971 1.00 0.00 N ATOM 0 H ARG A 15 151.972 6.670 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 15 149.647 6.771 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 15 151.544 4.553 -8.243 1.00 0.00 H new ATOM 0 HB3 ARG A 15 149.947 4.055 -7.723 1.00 0.00 H new ATOM 0 HG2 ARG A 15 148.985 4.908 -9.847 1.00 0.00 H new ATOM 0 HG3 ARG A 15 150.578 5.422 -10.366 1.00 0.00 H new ATOM 0 HD2 ARG A 15 151.386 3.095 -10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 15 149.845 2.547 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 15 148.945 2.621 -11.826 1.00 0.00 H new ATOM 0 HH11 ARG A 15 151.951 4.500 -11.722 1.00 0.00 H new ATOM 0 HH12 ARG A 15 151.992 4.743 -13.472 1.00 0.00 H new ATOM 0 HH21 ARG A 15 149.013 2.944 -14.072 1.00 0.00 H new ATOM 0 HH22 ARG A 15 150.335 3.866 -14.795 1.00 0.00 H new ATOM 258 N ILE A 16 148.151 6.230 -6.488 1.00 0.00 N ATOM 259 CA ILE A 16 147.285 6.149 -5.312 1.00 0.00 C ATOM 260 C ILE A 16 146.373 4.924 -5.383 1.00 0.00 C ATOM 261 O ILE A 16 145.682 4.713 -6.381 1.00 0.00 O ATOM 262 CB ILE A 16 146.408 7.415 -5.170 1.00 0.00 C ATOM 263 CG1 ILE A 16 147.262 8.680 -5.300 1.00 0.00 C ATOM 264 CG2 ILE A 16 145.665 7.405 -3.840 1.00 0.00 C ATOM 265 CD1 ILE A 16 146.452 9.929 -5.577 1.00 0.00 C ATOM 0 H ILE A 16 147.657 6.420 -7.360 1.00 0.00 H new ATOM 0 HA ILE A 16 147.939 6.066 -4.444 1.00 0.00 H new ATOM 0 HB ILE A 16 145.672 7.414 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 16 147.830 8.821 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 16 147.985 8.540 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 16 145.053 8.303 -3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 16 145.025 6.524 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 16 146.384 7.380 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 16 147.121 10.786 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 16 145.904 9.808 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 16 145.747 10.094 -4.762 1.00 0.00 H new ATOM 277 N ILE A 17 146.375 4.121 -4.317 1.00 0.00 N ATOM 278 CA ILE A 17 145.543 2.919 -4.260 1.00 0.00 C ATOM 279 C ILE A 17 144.816 2.812 -2.919 1.00 0.00 C ATOM 280 O ILE A 17 145.398 3.069 -1.862 1.00 0.00 O ATOM 281 CB ILE A 17 146.376 1.638 -4.486 1.00 0.00 C ATOM 282 CG1 ILE A 17 147.271 1.788 -5.722 1.00 0.00 C ATOM 283 CG2 ILE A 17 145.462 0.428 -4.633 1.00 0.00 C ATOM 284 CD1 ILE A 17 148.679 2.239 -5.398 1.00 0.00 C ATOM 0 H ILE A 17 146.942 4.281 -3.484 1.00 0.00 H new ATOM 0 HA ILE A 17 144.810 3.009 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 17 147.015 1.485 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 17 147.316 0.833 -6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 17 146.816 2.506 -6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 17 146.065 -0.466 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 17 144.868 0.309 -3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 17 144.799 0.574 -5.486 1.00 0.00 H new ATOM 0 HD11 ILE A 17 149.255 2.324 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 17 148.645 3.208 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 17 149.152 1.510 -4.740 1.00 0.00 H new ATOM 296 N ALA A 18 143.540 2.427 -2.973 1.00 0.00 N ATOM 297 CA ALA A 18 142.724 2.279 -1.770 1.00 0.00 C ATOM 298 C ALA A 18 142.808 0.856 -1.221 1.00 0.00 C ATOM 299 O ALA A 18 142.738 -0.114 -1.978 1.00 0.00 O ATOM 300 CB ALA A 18 141.277 2.646 -2.070 1.00 0.00 C ATOM 0 H ALA A 18 143.049 2.212 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 18 143.112 2.957 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 18 140.678 2.532 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 18 141.227 3.680 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 18 140.889 1.989 -2.848 1.00 0.00 H new ATOM 306 N PHE A 19 142.961 0.738 0.099 1.00 0.00 N ATOM 307 CA PHE A 19 143.057 -0.568 0.749 1.00 0.00 C ATOM 308 C PHE A 19 142.200 -0.619 2.013 1.00 0.00 C ATOM 309 O PHE A 19 142.449 0.114 2.972 1.00 0.00 O ATOM 310 CB PHE A 19 144.515 -0.879 1.101 1.00 0.00 C ATOM 311 CG PHE A 19 145.376 -1.189 -0.092 1.00 0.00 C ATOM 312 CD1 PHE A 19 145.344 -2.444 -0.678 1.00 0.00 C ATOM 313 CD2 PHE A 19 146.216 -0.225 -0.626 1.00 0.00 C ATOM 314 CE1 PHE A 19 146.135 -2.733 -1.773 1.00 0.00 C ATOM 315 CE2 PHE A 19 147.010 -0.509 -1.721 1.00 0.00 C ATOM 316 CZ PHE A 19 146.968 -1.764 -2.296 1.00 0.00 C ATOM 0 H PHE A 19 143.021 1.531 0.738 1.00 0.00 H new ATOM 0 HA PHE A 19 142.686 -1.318 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 19 144.940 -0.027 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 19 144.541 -1.727 1.786 1.00 0.00 H new ATOM 0 HD1 PHE A 19 144.693 -3.205 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 19 146.251 0.759 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 19 146.102 -3.716 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 19 147.663 0.250 -2.127 1.00 0.00 H new ATOM 0 HZ PHE A 19 147.586 -1.987 -3.153 1.00 0.00 H new ATOM 326 N SER A 20 141.196 -1.496 2.010 1.00 0.00 N ATOM 327 CA SER A 20 140.304 -1.651 3.158 1.00 0.00 C ATOM 328 C SER A 20 140.797 -2.758 4.088 1.00 0.00 C ATOM 329 O SER A 20 141.178 -3.838 3.634 1.00 0.00 O ATOM 330 CB SER A 20 138.883 -1.965 2.687 1.00 0.00 C ATOM 331 OG SER A 20 137.919 -1.357 3.530 1.00 0.00 O ATOM 0 H SER A 20 140.980 -2.110 1.225 1.00 0.00 H new ATOM 0 HA SER A 20 140.300 -0.711 3.710 1.00 0.00 H new ATOM 0 HB2 SER A 20 138.750 -1.613 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 20 138.731 -3.044 2.675 1.00 0.00 H new ATOM 0 HG SER A 20 137.019 -1.572 3.206 1.00 0.00 H new ATOM 337 N ARG A 21 140.783 -2.484 5.393 1.00 0.00 N ATOM 338 CA ARG A 21 141.225 -3.460 6.389 1.00 0.00 C ATOM 339 C ARG A 21 140.141 -4.509 6.645 1.00 0.00 C ATOM 340 O ARG A 21 138.956 -4.250 6.426 1.00 0.00 O ATOM 341 CB ARG A 21 141.585 -2.757 7.699 1.00 0.00 C ATOM 342 CG ARG A 21 142.789 -1.835 7.591 1.00 0.00 C ATOM 343 CD ARG A 21 143.240 -1.341 8.958 1.00 0.00 C ATOM 344 NE ARG A 21 143.361 0.117 9.006 1.00 0.00 N ATOM 345 CZ ARG A 21 143.774 0.798 10.078 1.00 0.00 C ATOM 346 NH1 ARG A 21 144.098 0.160 11.199 1.00 0.00 N ATOM 347 NH2 ARG A 21 143.862 2.122 10.030 1.00 0.00 N ATOM 0 H ARG A 21 140.471 -1.595 5.784 1.00 0.00 H new ATOM 0 HA ARG A 21 142.109 -3.963 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 21 140.726 -2.178 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 21 141.783 -3.510 8.462 1.00 0.00 H new ATOM 0 HG2 ARG A 21 143.610 -2.363 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 21 142.540 -0.982 6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 21 142.528 -1.670 9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 21 144.201 -1.792 9.207 1.00 0.00 H new ATOM 0 HE ARG A 21 143.115 0.645 8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 21 144.032 -0.857 11.244 1.00 0.00 H new ATOM 0 HH12 ARG A 21 144.413 0.688 12.013 1.00 0.00 H new ATOM 0 HH21 ARG A 21 143.614 2.619 9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 21 144.177 2.642 10.849 1.00 0.00 H new ATOM 361 N PRO A 22 140.529 -5.713 7.117 1.00 0.00 N ATOM 362 CA PRO A 22 141.930 -6.061 7.392 1.00 0.00 C ATOM 363 C PRO A 22 142.729 -6.321 6.116 1.00 0.00 C ATOM 364 O PRO A 22 142.343 -7.148 5.288 1.00 0.00 O ATOM 365 CB PRO A 22 141.815 -7.342 8.220 1.00 0.00 C ATOM 366 CG PRO A 22 140.539 -7.966 7.773 1.00 0.00 C ATOM 367 CD PRO A 22 139.615 -6.832 7.419 1.00 0.00 C ATOM 0 HA PRO A 22 142.460 -5.253 7.896 1.00 0.00 H new ATOM 0 HB2 PRO A 22 142.663 -8.004 8.045 1.00 0.00 H new ATOM 0 HB3 PRO A 22 141.797 -7.123 9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 22 140.704 -8.616 6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 22 140.111 -8.584 8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 22 138.989 -7.079 6.562 1.00 0.00 H new ATOM 0 HD3 PRO A 22 138.945 -6.590 8.244 1.00 0.00 H new ATOM 375 N VAL A 23 143.845 -5.609 5.966 1.00 0.00 N ATOM 376 CA VAL A 23 144.701 -5.762 4.794 1.00 0.00 C ATOM 377 C VAL A 23 146.001 -6.481 5.155 1.00 0.00 C ATOM 378 O VAL A 23 146.694 -6.098 6.100 1.00 0.00 O ATOM 379 CB VAL A 23 145.020 -4.397 4.145 1.00 0.00 C ATOM 380 CG1 VAL A 23 145.770 -3.491 5.113 1.00 0.00 C ATOM 381 CG2 VAL A 23 145.813 -4.588 2.860 1.00 0.00 C ATOM 0 H VAL A 23 144.176 -4.921 6.642 1.00 0.00 H new ATOM 0 HA VAL A 23 144.152 -6.367 4.072 1.00 0.00 H new ATOM 0 HB VAL A 23 144.076 -3.912 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 23 145.981 -2.537 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 23 145.159 -3.321 6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 23 146.707 -3.966 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 23 146.028 -3.615 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 23 146.749 -5.100 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 23 145.231 -5.185 2.158 1.00 0.00 H new ATOM 391 N LYS A 24 146.321 -7.529 4.399 1.00 0.00 N ATOM 392 CA LYS A 24 147.532 -8.308 4.638 1.00 0.00 C ATOM 393 C LYS A 24 148.696 -7.790 3.796 1.00 0.00 C ATOM 394 O LYS A 24 148.511 -7.382 2.648 1.00 0.00 O ATOM 395 CB LYS A 24 147.281 -9.785 4.324 1.00 0.00 C ATOM 396 CG LYS A 24 146.711 -10.573 5.493 1.00 0.00 C ATOM 397 CD LYS A 24 146.013 -11.840 5.022 1.00 0.00 C ATOM 398 CE LYS A 24 145.506 -12.669 6.192 1.00 0.00 C ATOM 399 NZ LYS A 24 144.135 -13.199 5.947 1.00 0.00 N ATOM 0 H LYS A 24 145.757 -7.858 3.615 1.00 0.00 H new ATOM 0 HA LYS A 24 147.797 -8.203 5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 24 146.594 -9.856 3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 24 148.218 -10.245 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 24 147.513 -10.833 6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 24 146.006 -9.951 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 24 145.178 -11.576 4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 24 146.704 -12.436 4.425 1.00 0.00 H new ATOM 0 HE2 LYS A 24 146.189 -13.499 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 24 145.503 -12.058 7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 143.827 -13.758 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 143.477 -12.407 5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 144.142 -13.803 5.100 1.00 0.00 H new ATOM 413 N TYR A 25 149.897 -7.819 4.377 1.00 0.00 N ATOM 414 CA TYR A 25 151.106 -7.363 3.687 1.00 0.00 C ATOM 415 C TYR A 25 151.301 -8.121 2.373 1.00 0.00 C ATOM 416 O TYR A 25 151.696 -7.535 1.364 1.00 0.00 O ATOM 417 CB TYR A 25 152.334 -7.547 4.588 1.00 0.00 C ATOM 418 CG TYR A 25 153.622 -7.005 4.000 1.00 0.00 C ATOM 419 CD1 TYR A 25 153.832 -5.637 3.873 1.00 0.00 C ATOM 420 CD2 TYR A 25 154.629 -7.864 3.574 1.00 0.00 C ATOM 421 CE1 TYR A 25 155.007 -5.142 3.339 1.00 0.00 C ATOM 422 CE2 TYR A 25 155.806 -7.376 3.040 1.00 0.00 C ATOM 423 CZ TYR A 25 155.990 -6.016 2.924 1.00 0.00 C ATOM 424 OH TYR A 25 157.157 -5.524 2.389 1.00 0.00 O ATOM 0 H TYR A 25 150.059 -8.155 5.327 1.00 0.00 H new ATOM 0 HA TYR A 25 150.989 -6.304 3.459 1.00 0.00 H new ATOM 0 HB2 TYR A 25 152.148 -7.054 5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 25 152.462 -8.609 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 25 153.065 -4.949 4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 25 154.489 -8.931 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 25 155.155 -4.076 3.247 1.00 0.00 H new ATOM 0 HE2 TYR A 25 156.578 -8.058 2.715 1.00 0.00 H new ATOM 0 HH TYR A 25 157.858 -5.528 3.074 1.00 0.00 H new ATOM 434 N GLU A 26 151.013 -9.424 2.392 1.00 0.00 N ATOM 435 CA GLU A 26 151.150 -10.259 1.200 1.00 0.00 C ATOM 436 C GLU A 26 150.171 -9.822 0.112 1.00 0.00 C ATOM 437 O GLU A 26 150.513 -9.811 -1.070 1.00 0.00 O ATOM 438 CB GLU A 26 150.913 -11.731 1.544 1.00 0.00 C ATOM 439 CG GLU A 26 152.151 -12.444 2.061 1.00 0.00 C ATOM 440 CD GLU A 26 151.837 -13.811 2.639 1.00 0.00 C ATOM 441 OE1 GLU A 26 151.790 -14.788 1.863 1.00 0.00 O ATOM 442 OE2 GLU A 26 151.641 -13.903 3.869 1.00 0.00 O ATOM 0 H GLU A 26 150.684 -9.922 3.219 1.00 0.00 H new ATOM 0 HA GLU A 26 152.167 -10.139 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 26 150.126 -11.797 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 26 150.550 -12.249 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 26 152.869 -12.553 1.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 152.627 -11.830 2.826 1.00 0.00 H new ATOM 449 N ASP A 27 148.953 -9.465 0.519 1.00 0.00 N ATOM 450 CA ASP A 27 147.929 -9.028 -0.426 1.00 0.00 C ATOM 451 C ASP A 27 148.361 -7.755 -1.148 1.00 0.00 C ATOM 452 O ASP A 27 148.204 -7.638 -2.364 1.00 0.00 O ATOM 453 CB ASP A 27 146.597 -8.795 0.294 1.00 0.00 C ATOM 454 CG ASP A 27 145.600 -9.909 0.042 1.00 0.00 C ATOM 455 OD1 ASP A 27 145.783 -11.008 0.607 1.00 0.00 O ATOM 456 OD2 ASP A 27 144.637 -9.682 -0.720 1.00 0.00 O ATOM 0 H ASP A 27 148.653 -9.470 1.494 1.00 0.00 H new ATOM 0 HA ASP A 27 147.797 -9.817 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 27 146.777 -8.708 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 27 146.170 -7.848 -0.036 1.00 0.00 H new ATOM 461 N VAL A 28 148.909 -6.804 -0.392 1.00 0.00 N ATOM 462 CA VAL A 28 149.363 -5.542 -0.966 1.00 0.00 C ATOM 463 C VAL A 28 150.584 -5.753 -1.858 1.00 0.00 C ATOM 464 O VAL A 28 150.626 -5.261 -2.988 1.00 0.00 O ATOM 465 CB VAL A 28 149.705 -4.504 0.125 1.00 0.00 C ATOM 466 CG1 VAL A 28 149.990 -3.148 -0.502 1.00 0.00 C ATOM 467 CG2 VAL A 28 148.578 -4.401 1.145 1.00 0.00 C ATOM 0 H VAL A 28 149.048 -6.885 0.615 1.00 0.00 H new ATOM 0 HA VAL A 28 148.538 -5.157 -1.565 1.00 0.00 H new ATOM 0 HB VAL A 28 150.603 -4.837 0.646 1.00 0.00 H new ATOM 0 HG11 VAL A 28 150.229 -2.428 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 28 150.834 -3.234 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 28 149.111 -2.809 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 28 148.840 -3.664 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 28 147.660 -4.094 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 28 148.426 -5.371 1.618 1.00 0.00 H new ATOM 477 N GLU A 29 151.570 -6.490 -1.350 1.00 0.00 N ATOM 478 CA GLU A 29 152.789 -6.768 -2.108 1.00 0.00 C ATOM 479 C GLU A 29 152.474 -7.510 -3.405 1.00 0.00 C ATOM 480 O GLU A 29 153.065 -7.225 -4.446 1.00 0.00 O ATOM 481 CB GLU A 29 153.769 -7.582 -1.263 1.00 0.00 C ATOM 482 CG GLU A 29 155.187 -7.591 -1.811 1.00 0.00 C ATOM 483 CD GLU A 29 156.190 -8.151 -0.820 1.00 0.00 C ATOM 484 OE1 GLU A 29 156.390 -9.385 -0.808 1.00 0.00 O ATOM 485 OE2 GLU A 29 156.776 -7.356 -0.054 1.00 0.00 O ATOM 0 H GLU A 29 151.549 -6.905 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 29 153.249 -5.813 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 29 153.783 -7.180 -0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 29 153.409 -8.609 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 29 155.216 -8.183 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 29 155.475 -6.575 -2.080 1.00 0.00 H new ATOM 492 N HIS A 30 151.535 -8.457 -3.338 1.00 0.00 N ATOM 493 CA HIS A 30 151.140 -9.227 -4.516 1.00 0.00 C ATOM 494 C HIS A 30 150.632 -8.301 -5.620 1.00 0.00 C ATOM 495 O HIS A 30 150.934 -8.501 -6.796 1.00 0.00 O ATOM 496 CB HIS A 30 150.061 -10.253 -4.153 1.00 0.00 C ATOM 497 CG HIS A 30 150.581 -11.654 -4.045 1.00 0.00 C ATOM 498 ND1 HIS A 30 151.420 -12.071 -3.032 1.00 0.00 N ATOM 499 CD2 HIS A 30 150.374 -12.740 -4.829 1.00 0.00 C ATOM 500 CE1 HIS A 30 151.708 -13.350 -3.199 1.00 0.00 C ATOM 501 NE2 HIS A 30 151.086 -13.779 -4.282 1.00 0.00 N ATOM 0 H HIS A 30 151.037 -8.707 -2.484 1.00 0.00 H new ATOM 0 HA HIS A 30 152.018 -9.758 -4.883 1.00 0.00 H new ATOM 0 HB2 HIS A 30 149.605 -9.969 -3.205 1.00 0.00 H new ATOM 0 HB3 HIS A 30 149.274 -10.223 -4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 30 149.763 -12.781 -5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 30 152.344 -13.943 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 30 151.128 -14.728 -4.652 1.00 0.00 H new ATOM 510 N LYS A 31 149.872 -7.278 -5.230 1.00 0.00 N ATOM 511 CA LYS A 31 149.339 -6.313 -6.188 1.00 0.00 C ATOM 512 C LYS A 31 150.465 -5.458 -6.767 1.00 0.00 C ATOM 513 O LYS A 31 150.541 -5.257 -7.979 1.00 0.00 O ATOM 514 CB LYS A 31 148.290 -5.415 -5.524 1.00 0.00 C ATOM 515 CG LYS A 31 147.478 -4.598 -6.517 1.00 0.00 C ATOM 516 CD LYS A 31 146.161 -4.127 -5.916 1.00 0.00 C ATOM 517 CE LYS A 31 145.254 -3.508 -6.970 1.00 0.00 C ATOM 518 NZ LYS A 31 143.855 -4.010 -6.868 1.00 0.00 N ATOM 0 H LYS A 31 149.613 -7.097 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 31 148.863 -6.866 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 31 147.613 -6.034 -4.935 1.00 0.00 H new ATOM 0 HB3 LYS A 31 148.789 -4.738 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 31 148.060 -3.735 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 147.279 -5.198 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 31 145.653 -4.969 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 31 146.359 -3.397 -5.131 1.00 0.00 H new ATOM 0 HE2 LYS A 31 145.259 -2.424 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 31 145.647 -3.730 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 143.271 -3.563 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 143.846 -5.042 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 143.470 -3.776 -5.931 1.00 0.00 H new ATOM 532 N VAL A 32 151.338 -4.960 -5.889 1.00 0.00 N ATOM 533 CA VAL A 32 152.464 -4.126 -6.309 1.00 0.00 C ATOM 534 C VAL A 32 153.382 -4.874 -7.276 1.00 0.00 C ATOM 535 O VAL A 32 153.749 -4.346 -8.327 1.00 0.00 O ATOM 536 CB VAL A 32 153.305 -3.644 -5.105 1.00 0.00 C ATOM 537 CG1 VAL A 32 154.321 -2.600 -5.546 1.00 0.00 C ATOM 538 CG2 VAL A 32 152.415 -3.093 -3.998 1.00 0.00 C ATOM 0 H VAL A 32 151.286 -5.120 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 32 152.030 -3.261 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 32 153.843 -4.503 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 32 154.904 -2.273 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 32 154.988 -3.033 -6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 32 153.800 -1.745 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL A 32 153.034 -2.762 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 32 151.839 -2.250 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 151.734 -3.873 -3.657 1.00 0.00 H new ATOM 548 N THR A 33 153.752 -6.103 -6.912 1.00 0.00 N ATOM 549 CA THR A 33 154.634 -6.917 -7.746 1.00 0.00 C ATOM 550 C THR A 33 154.015 -7.187 -9.120 1.00 0.00 C ATOM 551 O THR A 33 154.720 -7.194 -10.127 1.00 0.00 O ATOM 552 CB THR A 33 154.998 -8.236 -7.047 1.00 0.00 C ATOM 553 OG1 THR A 33 155.990 -8.933 -7.780 1.00 0.00 O ATOM 554 CG2 THR A 33 153.827 -9.179 -6.857 1.00 0.00 C ATOM 0 H THR A 33 153.455 -6.555 -6.047 1.00 0.00 H new ATOM 0 HA THR A 33 155.551 -6.348 -7.898 1.00 0.00 H new ATOM 0 HB THR A 33 155.358 -7.939 -6.062 1.00 0.00 H new ATOM 0 HG1 THR A 33 156.210 -9.769 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 33 154.167 -10.086 -6.357 1.00 0.00 H new ATOM 0 HG22 THR A 33 153.064 -8.694 -6.248 1.00 0.00 H new ATOM 0 HG23 THR A 33 153.406 -9.437 -7.829 1.00 0.00 H new ATOM 562 N THR A 34 152.700 -7.415 -9.157 1.00 0.00 N ATOM 563 CA THR A 34 152.008 -7.690 -10.417 1.00 0.00 C ATOM 564 C THR A 34 151.943 -6.447 -11.310 1.00 0.00 C ATOM 565 O THR A 34 152.204 -6.531 -12.510 1.00 0.00 O ATOM 566 CB THR A 34 150.591 -8.219 -10.154 1.00 0.00 C ATOM 567 OG1 THR A 34 150.627 -9.370 -9.328 1.00 0.00 O ATOM 568 CG2 THR A 34 149.842 -8.589 -11.419 1.00 0.00 C ATOM 0 H THR A 34 152.097 -7.415 -8.334 1.00 0.00 H new ATOM 0 HA THR A 34 152.583 -8.454 -10.941 1.00 0.00 H new ATOM 0 HB THR A 34 150.067 -7.398 -9.666 1.00 0.00 H new ATOM 0 HG1 THR A 34 150.515 -9.104 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 34 148.849 -8.955 -11.160 1.00 0.00 H new ATOM 0 HG22 THR A 34 149.750 -7.710 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 34 150.388 -9.368 -11.951 1.00 0.00 H new ATOM 576 N VAL A 35 151.592 -5.300 -10.726 1.00 0.00 N ATOM 577 CA VAL A 35 151.491 -4.053 -11.489 1.00 0.00 C ATOM 578 C VAL A 35 152.829 -3.684 -12.133 1.00 0.00 C ATOM 579 O VAL A 35 152.886 -3.380 -13.325 1.00 0.00 O ATOM 580 CB VAL A 35 151.014 -2.875 -10.610 1.00 0.00 C ATOM 581 CG1 VAL A 35 150.849 -1.609 -11.442 1.00 0.00 C ATOM 582 CG2 VAL A 35 149.711 -3.225 -9.902 1.00 0.00 C ATOM 0 H VAL A 35 151.374 -5.208 -9.734 1.00 0.00 H new ATOM 0 HA VAL A 35 150.751 -4.231 -12.269 1.00 0.00 H new ATOM 0 HB VAL A 35 151.776 -2.687 -9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 150.513 -0.794 -10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 35 151.804 -1.344 -11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 35 150.112 -1.782 -12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 35 149.393 -2.382 -9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 148.942 -3.446 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 35 149.865 -4.098 -9.268 1.00 0.00 H new ATOM 592 N PHE A 36 153.899 -3.708 -11.339 1.00 0.00 N ATOM 593 CA PHE A 36 155.232 -3.370 -11.839 1.00 0.00 C ATOM 594 C PHE A 36 155.879 -4.549 -12.568 1.00 0.00 C ATOM 595 O PHE A 36 156.770 -4.356 -13.397 1.00 0.00 O ATOM 596 CB PHE A 36 156.138 -2.918 -10.691 1.00 0.00 C ATOM 597 CG PHE A 36 155.656 -1.678 -9.988 1.00 0.00 C ATOM 598 CD1 PHE A 36 155.263 -0.559 -10.708 1.00 0.00 C ATOM 599 CD2 PHE A 36 155.598 -1.633 -8.606 1.00 0.00 C ATOM 600 CE1 PHE A 36 154.822 0.579 -10.060 1.00 0.00 C ATOM 601 CE2 PHE A 36 155.159 -0.499 -7.953 1.00 0.00 C ATOM 602 CZ PHE A 36 154.770 0.609 -8.680 1.00 0.00 C ATOM 0 H PHE A 36 153.870 -3.957 -10.350 1.00 0.00 H new ATOM 0 HA PHE A 36 155.112 -2.553 -12.550 1.00 0.00 H new ATOM 0 HB2 PHE A 36 156.220 -3.727 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 36 157.140 -2.737 -11.081 1.00 0.00 H new ATOM 0 HD1 PHE A 36 155.302 -0.578 -11.787 1.00 0.00 H new ATOM 0 HD2 PHE A 36 155.900 -2.496 -8.031 1.00 0.00 H new ATOM 0 HE1 PHE A 36 154.518 1.444 -10.632 1.00 0.00 H new ATOM 0 HE2 PHE A 36 155.120 -0.478 -6.874 1.00 0.00 H new ATOM 0 HZ PHE A 36 154.426 1.497 -8.171 1.00 0.00 H new ATOM 612 N GLY A 37 155.438 -5.766 -12.249 1.00 0.00 N ATOM 613 CA GLY A 37 155.997 -6.952 -12.877 1.00 0.00 C ATOM 614 C GLY A 37 157.357 -7.338 -12.310 1.00 0.00 C ATOM 615 O GLY A 37 158.113 -8.069 -12.951 1.00 0.00 O ATOM 0 H GLY A 37 154.703 -5.951 -11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 37 155.306 -7.785 -12.749 1.00 0.00 H new ATOM 0 HA3 GLY A 37 156.092 -6.779 -13.949 1.00 0.00 H new ATOM 619 N GLN A 38 157.670 -6.846 -11.107 1.00 0.00 N ATOM 620 CA GLN A 38 158.947 -7.143 -10.462 1.00 0.00 C ATOM 621 C GLN A 38 158.842 -6.994 -8.944 1.00 0.00 C ATOM 622 O GLN A 38 158.078 -6.164 -8.446 1.00 0.00 O ATOM 623 CB GLN A 38 160.039 -6.210 -10.992 1.00 0.00 C ATOM 624 CG GLN A 38 160.851 -6.797 -12.136 1.00 0.00 C ATOM 625 CD GLN A 38 161.833 -5.800 -12.721 1.00 0.00 C ATOM 626 OE1 GLN A 38 161.824 -5.536 -13.924 1.00 0.00 O ATOM 627 NE2 GLN A 38 162.686 -5.237 -11.872 1.00 0.00 N ATOM 0 H GLN A 38 157.055 -6.241 -10.563 1.00 0.00 H new ATOM 0 HA GLN A 38 159.207 -8.176 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 38 159.578 -5.281 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 38 160.713 -5.955 -10.174 1.00 0.00 H new ATOM 0 HG2 GLN A 38 161.395 -7.672 -11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 38 160.175 -7.139 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 38 162.659 -5.484 -10.883 1.00 0.00 H new ATOM 0 HE22 GLN A 38 163.368 -4.557 -12.209 1.00 0.00 H new ATOM 636 N PRO A 39 159.614 -7.796 -8.186 1.00 0.00 N ATOM 637 CA PRO A 39 159.609 -7.746 -6.720 1.00 0.00 C ATOM 638 C PRO A 39 160.341 -6.517 -6.178 1.00 0.00 C ATOM 639 O PRO A 39 161.574 -6.464 -6.181 1.00 0.00 O ATOM 640 CB PRO A 39 160.338 -9.032 -6.325 1.00 0.00 C ATOM 641 CG PRO A 39 161.254 -9.313 -7.467 1.00 0.00 C ATOM 642 CD PRO A 39 160.553 -8.813 -8.702 1.00 0.00 C ATOM 0 HA PRO A 39 158.601 -7.671 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 39 160.892 -8.904 -5.395 1.00 0.00 H new ATOM 0 HB3 PRO A 39 159.637 -9.852 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 39 162.211 -8.809 -7.332 1.00 0.00 H new ATOM 0 HG3 PRO A 39 161.464 -10.380 -7.544 1.00 0.00 H new ATOM 0 HD2 PRO A 39 161.256 -8.383 -9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 39 160.028 -9.617 -9.218 1.00 0.00 H new ATOM 650 N LEU A 40 159.573 -5.529 -5.717 1.00 0.00 N ATOM 651 CA LEU A 40 160.145 -4.299 -5.172 1.00 0.00 C ATOM 652 C LEU A 40 159.951 -4.227 -3.659 1.00 0.00 C ATOM 653 O LEU A 40 158.884 -4.567 -3.143 1.00 0.00 O ATOM 654 CB LEU A 40 159.506 -3.074 -5.836 1.00 0.00 C ATOM 655 CG LEU A 40 160.051 -2.724 -7.225 1.00 0.00 C ATOM 656 CD1 LEU A 40 159.125 -3.247 -8.315 1.00 0.00 C ATOM 657 CD2 LEU A 40 160.236 -1.220 -7.359 1.00 0.00 C ATOM 0 H LEU A 40 158.553 -5.557 -5.711 1.00 0.00 H new ATOM 0 HA LEU A 40 161.214 -4.305 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 40 158.432 -3.244 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 159.644 -2.213 -5.182 1.00 0.00 H new ATOM 0 HG LEU A 40 161.022 -3.205 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 40 159.531 -2.987 -9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 40 159.042 -4.331 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU A 40 158.139 -2.798 -8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 160.624 -0.988 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 159.277 -0.721 -7.218 1.00 0.00 H new ATOM 0 HD23 LEU A 40 160.940 -0.871 -6.604 1.00 0.00 H new ATOM 669 N ASP A 41 160.990 -3.781 -2.954 1.00 0.00 N ATOM 670 CA ASP A 41 160.940 -3.662 -1.498 1.00 0.00 C ATOM 671 C ASP A 41 160.235 -2.373 -1.076 1.00 0.00 C ATOM 672 O ASP A 41 160.450 -1.313 -1.669 1.00 0.00 O ATOM 673 CB ASP A 41 162.358 -3.695 -0.914 1.00 0.00 C ATOM 674 CG ASP A 41 162.438 -4.479 0.383 1.00 0.00 C ATOM 675 OD1 ASP A 41 161.670 -4.165 1.318 1.00 0.00 O ATOM 676 OD2 ASP A 41 163.273 -5.405 0.466 1.00 0.00 O ATOM 0 H ASP A 41 161.877 -3.496 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 41 160.372 -4.508 -1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 163.037 -4.137 -1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 41 162.698 -2.674 -0.739 1.00 0.00 H new ATOM 681 N LEU A 42 159.394 -2.472 -0.046 1.00 0.00 N ATOM 682 CA LEU A 42 158.654 -1.319 0.463 1.00 0.00 C ATOM 683 C LEU A 42 159.442 -0.609 1.565 1.00 0.00 C ATOM 684 O LEU A 42 159.769 -1.209 2.591 1.00 0.00 O ATOM 685 CB LEU A 42 157.286 -1.758 0.997 1.00 0.00 C ATOM 686 CG LEU A 42 156.275 -2.182 -0.072 1.00 0.00 C ATOM 687 CD1 LEU A 42 156.362 -3.681 -0.328 1.00 0.00 C ATOM 688 CD2 LEU A 42 154.863 -1.790 0.343 1.00 0.00 C ATOM 0 H LEU A 42 159.209 -3.342 0.453 1.00 0.00 H new ATOM 0 HA LEU A 42 158.507 -0.620 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 42 157.433 -2.590 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 156.859 -0.938 1.574 1.00 0.00 H new ATOM 0 HG LEU A 42 156.517 -1.662 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 42 155.636 -3.963 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 157.365 -3.934 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 42 156.147 -4.221 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 42 154.158 -2.099 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 154.611 -2.281 1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 42 154.809 -0.709 0.472 1.00 0.00 H new ATOM 700 N HIS A 43 159.744 0.670 1.345 1.00 0.00 N ATOM 701 CA HIS A 43 160.496 1.461 2.317 1.00 0.00 C ATOM 702 C HIS A 43 159.600 2.490 3.005 1.00 0.00 C ATOM 703 O HIS A 43 159.065 3.393 2.357 1.00 0.00 O ATOM 704 CB HIS A 43 161.669 2.164 1.630 1.00 0.00 C ATOM 705 CG HIS A 43 162.973 1.974 2.339 1.00 0.00 C ATOM 706 ND1 HIS A 43 163.341 2.707 3.448 1.00 0.00 N ATOM 707 CD2 HIS A 43 164.000 1.127 2.092 1.00 0.00 C ATOM 708 CE1 HIS A 43 164.537 2.320 3.852 1.00 0.00 C ATOM 709 NE2 HIS A 43 164.959 1.362 3.047 1.00 0.00 N ATOM 0 H HIS A 43 159.479 1.180 0.502 1.00 0.00 H new ATOM 0 HA HIS A 43 160.880 0.782 3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 43 161.760 1.790 0.610 1.00 0.00 H new ATOM 0 HB3 HIS A 43 161.454 3.230 1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 43 164.055 0.402 1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 43 165.078 2.719 4.697 1.00 0.00 H new ATOM 0 HE2 HIS A 43 165.852 0.875 3.122 1.00 0.00 H new ATOM 718 N TYR A 44 159.440 2.347 4.321 1.00 0.00 N ATOM 719 CA TYR A 44 158.611 3.257 5.102 1.00 0.00 C ATOM 720 C TYR A 44 159.473 4.126 6.020 1.00 0.00 C ATOM 721 O TYR A 44 160.197 3.616 6.876 1.00 0.00 O ATOM 722 CB TYR A 44 157.595 2.456 5.925 1.00 0.00 C ATOM 723 CG TYR A 44 156.852 3.274 6.958 1.00 0.00 C ATOM 724 CD1 TYR A 44 157.419 3.538 8.197 1.00 0.00 C ATOM 725 CD2 TYR A 44 155.585 3.778 6.694 1.00 0.00 C ATOM 726 CE1 TYR A 44 156.744 4.281 9.147 1.00 0.00 C ATOM 727 CE2 TYR A 44 154.903 4.523 7.637 1.00 0.00 C ATOM 728 CZ TYR A 44 155.486 4.772 8.863 1.00 0.00 C ATOM 729 OH TYR A 44 154.810 5.513 9.806 1.00 0.00 O ATOM 0 H TYR A 44 159.877 1.605 4.868 1.00 0.00 H new ATOM 0 HA TYR A 44 158.076 3.916 4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 44 156.871 2.003 5.247 1.00 0.00 H new ATOM 0 HB3 TYR A 44 158.114 1.640 6.428 1.00 0.00 H new ATOM 0 HD1 TYR A 44 158.404 3.157 8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 44 155.125 3.584 5.736 1.00 0.00 H new ATOM 0 HE1 TYR A 44 157.199 4.476 10.107 1.00 0.00 H new ATOM 0 HE2 TYR A 44 153.919 4.909 7.416 1.00 0.00 H new ATOM 0 HH TYR A 44 153.939 5.783 9.447 1.00 0.00 H new ATOM 739 N MET A 45 159.386 5.442 5.838 1.00 0.00 N ATOM 740 CA MET A 45 160.153 6.383 6.652 1.00 0.00 C ATOM 741 C MET A 45 159.251 7.485 7.203 1.00 0.00 C ATOM 742 O MET A 45 158.417 8.035 6.481 1.00 0.00 O ATOM 743 CB MET A 45 161.298 6.994 5.834 1.00 0.00 C ATOM 744 CG MET A 45 160.891 7.447 4.439 1.00 0.00 C ATOM 745 SD MET A 45 161.771 8.929 3.909 1.00 0.00 S ATOM 746 CE MET A 45 161.163 9.109 2.234 1.00 0.00 C ATOM 0 H MET A 45 158.792 5.881 5.134 1.00 0.00 H new ATOM 0 HA MET A 45 160.578 5.834 7.492 1.00 0.00 H new ATOM 0 HB2 MET A 45 161.704 7.847 6.378 1.00 0.00 H new ATOM 0 HB3 MET A 45 162.100 6.261 5.747 1.00 0.00 H new ATOM 0 HG2 MET A 45 161.082 6.642 3.729 1.00 0.00 H new ATOM 0 HG3 MET A 45 159.818 7.640 4.422 1.00 0.00 H new ATOM 0 HE1 MET A 45 161.619 9.986 1.774 1.00 0.00 H new ATOM 0 HE2 MET A 45 161.420 8.221 1.656 1.00 0.00 H new ATOM 0 HE3 MET A 45 160.080 9.230 2.251 1.00 0.00 H new ATOM 756 N ASN A 46 159.422 7.800 8.486 1.00 0.00 N ATOM 757 CA ASN A 46 158.622 8.836 9.138 1.00 0.00 C ATOM 758 C ASN A 46 159.117 10.228 8.753 1.00 0.00 C ATOM 759 O ASN A 46 158.389 11.010 8.140 1.00 0.00 O ATOM 760 CB ASN A 46 158.672 8.669 10.659 1.00 0.00 C ATOM 761 CG ASN A 46 157.631 7.691 11.168 1.00 0.00 C ATOM 762 OD1 ASN A 46 156.479 8.058 11.396 1.00 0.00 O ATOM 763 ND2 ASN A 46 158.032 6.438 11.350 1.00 0.00 N ATOM 0 H ASN A 46 160.107 7.353 9.095 1.00 0.00 H new ATOM 0 HA ASN A 46 157.591 8.729 8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 46 159.664 8.324 10.951 1.00 0.00 H new ATOM 0 HB3 ASN A 46 158.519 9.638 11.133 1.00 0.00 H new ATOM 0 HD21 ASN A 46 157.375 5.737 11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 46 158.997 6.177 11.148 1.00 0.00 H new ATOM 770 N ASN A 47 160.363 10.523 9.119 1.00 0.00 N ATOM 771 CA ASN A 47 160.976 11.814 8.818 1.00 0.00 C ATOM 772 C ASN A 47 162.482 11.756 9.059 1.00 0.00 C ATOM 773 O ASN A 47 163.275 12.080 8.175 1.00 0.00 O ATOM 774 CB ASN A 47 160.349 12.921 9.674 1.00 0.00 C ATOM 775 CG ASN A 47 159.646 13.972 8.833 1.00 0.00 C ATOM 776 OD1 ASN A 47 160.248 14.580 7.949 1.00 0.00 O ATOM 777 ND2 ASN A 47 158.364 14.196 9.107 1.00 0.00 N ATOM 0 H ASN A 47 160.970 9.881 9.628 1.00 0.00 H new ATOM 0 HA ASN A 47 160.796 12.042 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 47 159.636 12.479 10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 47 161.125 13.398 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 47 157.843 14.894 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 47 157.902 13.670 9.848 1.00 0.00 H new ATOM 784 N GLU A 48 162.864 11.332 10.265 1.00 0.00 N ATOM 785 CA GLU A 48 164.273 11.220 10.637 1.00 0.00 C ATOM 786 C GLU A 48 164.737 9.758 10.640 1.00 0.00 C ATOM 787 O GLU A 48 165.898 9.471 10.341 1.00 0.00 O ATOM 788 CB GLU A 48 164.512 11.852 12.014 1.00 0.00 C ATOM 789 CG GLU A 48 163.709 11.212 13.140 1.00 0.00 C ATOM 790 CD GLU A 48 163.828 11.976 14.447 1.00 0.00 C ATOM 791 OE1 GLU A 48 163.314 13.112 14.519 1.00 0.00 O ATOM 792 OE2 GLU A 48 164.434 11.437 15.396 1.00 0.00 O ATOM 0 H GLU A 48 162.214 11.060 11.002 1.00 0.00 H new ATOM 0 HA GLU A 48 164.858 11.757 9.891 1.00 0.00 H new ATOM 0 HB2 GLU A 48 165.573 11.783 12.254 1.00 0.00 H new ATOM 0 HB3 GLU A 48 164.265 12.912 11.963 1.00 0.00 H new ATOM 0 HG2 GLU A 48 162.660 11.158 12.849 1.00 0.00 H new ATOM 0 HG3 GLU A 48 164.051 10.188 13.289 1.00 0.00 H new ATOM 799 N LEU A 49 163.829 8.839 10.983 1.00 0.00 N ATOM 800 CA LEU A 49 164.152 7.413 11.029 1.00 0.00 C ATOM 801 C LEU A 49 163.527 6.665 9.850 1.00 0.00 C ATOM 802 O LEU A 49 162.367 6.899 9.499 1.00 0.00 O ATOM 803 CB LEU A 49 163.665 6.807 12.353 1.00 0.00 C ATOM 804 CG LEU A 49 164.625 5.815 13.020 1.00 0.00 C ATOM 805 CD1 LEU A 49 164.932 4.650 12.089 1.00 0.00 C ATOM 806 CD2 LEU A 49 165.909 6.513 13.451 1.00 0.00 C ATOM 0 H LEU A 49 162.865 9.059 11.233 1.00 0.00 H new ATOM 0 HA LEU A 49 165.235 7.309 10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 49 163.466 7.619 13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 49 162.716 6.302 12.173 1.00 0.00 H new ATOM 0 HG LEU A 49 164.137 5.419 13.911 1.00 0.00 H new ATOM 0 HD11 LEU A 49 165.615 3.959 12.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 164.007 4.130 11.840 1.00 0.00 H new ATOM 0 HD13 LEU A 49 165.394 5.026 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 49 166.576 5.790 13.922 1.00 0.00 H new ATOM 0 HD22 LEU A 49 166.399 6.944 12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 49 165.672 7.305 14.162 1.00 0.00 H new ATOM 818 N SER A 50 164.301 5.759 9.246 1.00 0.00 N ATOM 819 CA SER A 50 163.826 4.968 8.110 1.00 0.00 C ATOM 820 C SER A 50 163.726 3.490 8.481 1.00 0.00 C ATOM 821 O SER A 50 164.671 2.915 9.027 1.00 0.00 O ATOM 822 CB SER A 50 164.758 5.137 6.906 1.00 0.00 C ATOM 823 OG SER A 50 164.975 6.506 6.611 1.00 0.00 O ATOM 0 H SER A 50 165.260 5.556 9.526 1.00 0.00 H new ATOM 0 HA SER A 50 162.833 5.331 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.712 4.651 7.111 1.00 0.00 H new ATOM 0 HB3 SER A 50 164.327 4.639 6.037 1.00 0.00 H new ATOM 0 HG SER A 50 165.575 6.583 5.840 1.00 0.00 H new ATOM 829 N ILE A 51 162.578 2.882 8.181 1.00 0.00 N ATOM 830 CA ILE A 51 162.351 1.469 8.483 1.00 0.00 C ATOM 831 C ILE A 51 161.967 0.689 7.224 1.00 0.00 C ATOM 832 O ILE A 51 161.108 1.119 6.453 1.00 0.00 O ATOM 833 CB ILE A 51 161.244 1.291 9.547 1.00 0.00 C ATOM 834 CG1 ILE A 51 161.490 2.219 10.743 1.00 0.00 C ATOM 835 CG2 ILE A 51 161.170 -0.161 10.005 1.00 0.00 C ATOM 836 CD1 ILE A 51 160.297 2.348 11.666 1.00 0.00 C ATOM 0 H ILE A 51 161.790 3.347 7.729 1.00 0.00 H new ATOM 0 HA ILE A 51 163.288 1.075 8.877 1.00 0.00 H new ATOM 0 HB ILE A 51 160.289 1.559 9.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 162.341 1.846 11.313 1.00 0.00 H new ATOM 0 HG13 ILE A 51 161.762 3.208 10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 51 160.385 -0.267 10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 51 160.946 -0.801 9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 51 162.126 -0.455 10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 51 160.544 3.019 12.488 1.00 0.00 H new ATOM 0 HD12 ILE A 51 159.450 2.751 11.111 1.00 0.00 H new ATOM 0 HD13 ILE A 51 160.037 1.367 12.064 1.00 0.00 H new ATOM 848 N LEU A 52 162.606 -0.463 7.026 1.00 0.00 N ATOM 849 CA LEU A 52 162.329 -1.307 5.866 1.00 0.00 C ATOM 850 C LEU A 52 161.212 -2.302 6.173 1.00 0.00 C ATOM 851 O LEU A 52 161.238 -2.981 7.201 1.00 0.00 O ATOM 852 CB LEU A 52 163.598 -2.052 5.435 1.00 0.00 C ATOM 853 CG LEU A 52 163.510 -2.761 4.079 1.00 0.00 C ATOM 854 CD1 LEU A 52 164.860 -2.748 3.377 1.00 0.00 C ATOM 855 CD2 LEU A 52 163.016 -4.190 4.254 1.00 0.00 C ATOM 0 H LEU A 52 163.319 -0.833 7.654 1.00 0.00 H new ATOM 0 HA LEU A 52 162.002 -0.665 5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 52 164.424 -1.341 5.402 1.00 0.00 H new ATOM 0 HB3 LEU A 52 163.843 -2.791 6.198 1.00 0.00 H new ATOM 0 HG LEU A 52 162.795 -2.222 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 52 164.776 -3.256 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 52 165.176 -1.717 3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 165.597 -3.261 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 52 162.960 -4.677 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 52 163.707 -4.738 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 52 162.027 -4.180 4.712 1.00 0.00 H new ATOM 867 N LEU A 53 160.233 -2.383 5.273 1.00 0.00 N ATOM 868 CA LEU A 53 159.103 -3.293 5.442 1.00 0.00 C ATOM 869 C LEU A 53 159.423 -4.671 4.868 1.00 0.00 C ATOM 870 O LEU A 53 159.412 -4.866 3.652 1.00 0.00 O ATOM 871 CB LEU A 53 157.853 -2.720 4.762 1.00 0.00 C ATOM 872 CG LEU A 53 157.352 -1.390 5.334 1.00 0.00 C ATOM 873 CD1 LEU A 53 156.705 -0.547 4.244 1.00 0.00 C ATOM 874 CD2 LEU A 53 156.372 -1.634 6.473 1.00 0.00 C ATOM 0 H LEU A 53 160.200 -1.828 4.418 1.00 0.00 H new ATOM 0 HA LEU A 53 158.911 -3.400 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 53 158.066 -2.584 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 53 157.050 -3.454 4.835 1.00 0.00 H new ATOM 0 HG LEU A 53 158.208 -0.842 5.728 1.00 0.00 H new ATOM 0 HD11 LEU A 53 156.356 0.393 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 53 157.435 -0.341 3.461 1.00 0.00 H new ATOM 0 HD13 LEU A 53 155.860 -1.088 3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 53 156.027 -0.678 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 53 155.519 -2.204 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 53 156.867 -2.195 7.265 1.00 0.00 H new ATOM 886 N LYS A 54 159.707 -5.625 5.752 1.00 0.00 N ATOM 887 CA LYS A 54 160.027 -6.988 5.333 1.00 0.00 C ATOM 888 C LYS A 54 158.893 -7.953 5.690 1.00 0.00 C ATOM 889 O LYS A 54 158.601 -8.884 4.937 1.00 0.00 O ATOM 890 CB LYS A 54 161.342 -7.450 5.975 1.00 0.00 C ATOM 891 CG LYS A 54 162.481 -7.624 4.977 1.00 0.00 C ATOM 892 CD LYS A 54 163.828 -7.273 5.593 1.00 0.00 C ATOM 893 CE LYS A 54 164.888 -7.041 4.525 1.00 0.00 C ATOM 894 NZ LYS A 54 166.201 -6.651 5.115 1.00 0.00 N ATOM 0 H LYS A 54 159.722 -5.480 6.762 1.00 0.00 H new ATOM 0 HA LYS A 54 160.146 -6.990 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 54 161.641 -6.725 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 54 161.173 -8.396 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 54 162.500 -8.655 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 54 162.303 -6.992 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 54 163.726 -6.378 6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 54 164.147 -8.078 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 165.012 -7.948 3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 54 164.551 -6.260 3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 166.894 -6.503 4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 166.090 -5.771 5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 166.536 -7.407 5.746 1.00 0.00 H new ATOM 908 N ASN A 55 158.258 -7.724 6.841 1.00 0.00 N ATOM 909 CA ASN A 55 157.157 -8.572 7.296 1.00 0.00 C ATOM 910 C ASN A 55 155.928 -7.736 7.655 1.00 0.00 C ATOM 911 O ASN A 55 155.979 -6.504 7.644 1.00 0.00 O ATOM 912 CB ASN A 55 157.598 -9.404 8.505 1.00 0.00 C ATOM 913 CG ASN A 55 158.099 -10.780 8.109 1.00 0.00 C ATOM 914 OD1 ASN A 55 159.299 -11.050 8.149 1.00 0.00 O ATOM 915 ND2 ASN A 55 157.181 -11.658 7.721 1.00 0.00 N ATOM 0 H ASN A 55 158.488 -6.958 7.474 1.00 0.00 H new ATOM 0 HA ASN A 55 156.885 -9.241 6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 55 158.386 -8.874 9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 55 156.761 -9.510 9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 55 157.461 -12.598 7.441 1.00 0.00 H new ATOM 0 HD22 ASN A 55 156.196 -11.392 7.703 1.00 0.00 H new ATOM 922 N GLN A 56 154.823 -8.416 7.975 1.00 0.00 N ATOM 923 CA GLN A 56 153.580 -7.737 8.342 1.00 0.00 C ATOM 924 C GLN A 56 153.762 -6.906 9.611 1.00 0.00 C ATOM 925 O GLN A 56 153.135 -5.859 9.765 1.00 0.00 O ATOM 926 CB GLN A 56 152.446 -8.748 8.544 1.00 0.00 C ATOM 927 CG GLN A 56 151.260 -8.523 7.617 1.00 0.00 C ATOM 928 CD GLN A 56 149.926 -8.731 8.309 1.00 0.00 C ATOM 929 OE1 GLN A 56 149.604 -9.837 8.742 1.00 0.00 O ATOM 930 NE2 GLN A 56 149.138 -7.666 8.411 1.00 0.00 N ATOM 0 H GLN A 56 154.765 -9.434 7.987 1.00 0.00 H new ATOM 0 HA GLN A 56 153.316 -7.069 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 56 152.835 -9.754 8.386 1.00 0.00 H new ATOM 0 HB3 GLN A 56 152.104 -8.697 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 56 151.303 -7.509 7.218 1.00 0.00 H new ATOM 0 HG3 GLN A 56 151.334 -9.203 6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 56 149.444 -6.767 8.038 1.00 0.00 H new ATOM 0 HE22 GLN A 56 148.227 -7.747 8.862 1.00 0.00 H new ATOM 939 N ASP A 57 154.625 -7.376 10.514 1.00 0.00 N ATOM 940 CA ASP A 57 154.888 -6.669 11.766 1.00 0.00 C ATOM 941 C ASP A 57 155.299 -5.219 11.502 1.00 0.00 C ATOM 942 O ASP A 57 154.863 -4.305 12.203 1.00 0.00 O ATOM 943 CB ASP A 57 155.985 -7.382 12.562 1.00 0.00 C ATOM 944 CG ASP A 57 155.921 -7.065 14.043 1.00 0.00 C ATOM 945 OD1 ASP A 57 156.502 -6.039 14.458 1.00 0.00 O ATOM 946 OD2 ASP A 57 155.288 -7.841 14.789 1.00 0.00 O ATOM 0 H ASP A 57 155.152 -8.242 10.401 1.00 0.00 H new ATOM 0 HA ASP A 57 153.967 -6.667 12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 57 155.893 -8.459 12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 57 156.961 -7.091 12.172 1.00 0.00 H new ATOM 951 N ASP A 58 156.138 -5.019 10.485 1.00 0.00 N ATOM 952 CA ASP A 58 156.608 -3.682 10.122 1.00 0.00 C ATOM 953 C ASP A 58 155.447 -2.797 9.670 1.00 0.00 C ATOM 954 O ASP A 58 155.317 -1.655 10.113 1.00 0.00 O ATOM 955 CB ASP A 58 157.657 -3.766 9.007 1.00 0.00 C ATOM 956 CG ASP A 58 158.940 -4.443 9.451 1.00 0.00 C ATOM 957 OD1 ASP A 58 159.018 -5.688 9.355 1.00 0.00 O ATOM 958 OD2 ASP A 58 159.868 -3.730 9.888 1.00 0.00 O ATOM 0 H ASP A 58 156.506 -5.767 9.897 1.00 0.00 H new ATOM 0 HA ASP A 58 157.061 -3.237 11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 58 157.238 -4.312 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 58 157.886 -2.760 8.655 1.00 0.00 H new ATOM 963 N LEU A 59 154.605 -3.333 8.788 1.00 0.00 N ATOM 964 CA LEU A 59 153.452 -2.594 8.279 1.00 0.00 C ATOM 965 C LEU A 59 152.441 -2.327 9.393 1.00 0.00 C ATOM 966 O LEU A 59 151.865 -1.240 9.470 1.00 0.00 O ATOM 967 CB LEU A 59 152.784 -3.368 7.139 1.00 0.00 C ATOM 968 CG LEU A 59 151.538 -2.703 6.546 1.00 0.00 C ATOM 969 CD1 LEU A 59 151.730 -2.432 5.062 1.00 0.00 C ATOM 970 CD2 LEU A 59 150.305 -3.566 6.782 1.00 0.00 C ATOM 0 H LEU A 59 154.700 -4.276 8.411 1.00 0.00 H new ATOM 0 HA LEU A 59 153.806 -1.636 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 59 153.514 -3.513 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 59 152.510 -4.358 7.504 1.00 0.00 H new ATOM 0 HG LEU A 59 151.387 -1.748 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 59 150.834 -1.959 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 59 152.584 -1.770 4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 151.910 -3.372 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 59 149.431 -3.076 6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 59 150.445 -4.538 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 150.156 -3.702 7.853 1.00 0.00 H new ATOM 982 N ASP A 60 152.237 -3.323 10.256 1.00 0.00 N ATOM 983 CA ASP A 60 151.301 -3.195 11.370 1.00 0.00 C ATOM 984 C ASP A 60 151.739 -2.081 12.319 1.00 0.00 C ATOM 985 O ASP A 60 150.919 -1.283 12.773 1.00 0.00 O ATOM 986 CB ASP A 60 151.189 -4.519 12.132 1.00 0.00 C ATOM 987 CG ASP A 60 149.768 -4.817 12.573 1.00 0.00 C ATOM 988 OD1 ASP A 60 148.881 -4.915 11.698 1.00 0.00 O ATOM 989 OD2 ASP A 60 149.543 -4.955 13.794 1.00 0.00 O ATOM 0 H ASP A 60 152.708 -4.226 10.204 1.00 0.00 H new ATOM 0 HA ASP A 60 150.323 -2.940 10.962 1.00 0.00 H new ATOM 0 HB2 ASP A 60 151.547 -5.331 11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 60 151.838 -4.487 13.007 1.00 0.00 H new ATOM 994 N LYS A 61 153.040 -2.030 12.606 1.00 0.00 N ATOM 995 CA LYS A 61 153.592 -1.010 13.491 1.00 0.00 C ATOM 996 C LYS A 61 153.499 0.376 12.853 1.00 0.00 C ATOM 997 O LYS A 61 153.314 1.375 13.549 1.00 0.00 O ATOM 998 CB LYS A 61 155.049 -1.332 13.830 1.00 0.00 C ATOM 999 CG LYS A 61 155.220 -2.079 15.143 1.00 0.00 C ATOM 1000 CD LYS A 61 156.088 -1.300 16.117 1.00 0.00 C ATOM 1001 CE LYS A 61 155.868 -1.759 17.550 1.00 0.00 C ATOM 1002 NZ LYS A 61 156.770 -2.887 17.921 1.00 0.00 N ATOM 0 H LYS A 61 153.730 -2.685 12.237 1.00 0.00 H new ATOM 0 HA LYS A 61 153.005 -1.007 14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 61 155.477 -1.929 13.024 1.00 0.00 H new ATOM 0 HB3 LYS A 61 155.616 -0.402 13.874 1.00 0.00 H new ATOM 0 HG2 LYS A 61 154.242 -2.260 15.590 1.00 0.00 H new ATOM 0 HG3 LYS A 61 155.669 -3.054 14.953 1.00 0.00 H new ATOM 0 HD2 LYS A 61 157.138 -1.425 15.851 1.00 0.00 H new ATOM 0 HD3 LYS A 61 155.863 -0.237 16.036 1.00 0.00 H new ATOM 0 HE2 LYS A 61 156.036 -0.922 18.228 1.00 0.00 H new ATOM 0 HE3 LYS A 61 154.830 -2.068 17.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 156.587 -3.169 18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 156.592 -3.695 17.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 157.761 -2.585 17.826 1.00 0.00 H new ATOM 1016 N ALA A 62 153.628 0.431 11.525 1.00 0.00 N ATOM 1017 CA ALA A 62 153.555 1.697 10.799 1.00 0.00 C ATOM 1018 C ALA A 62 152.186 2.352 10.964 1.00 0.00 C ATOM 1019 O ALA A 62 152.086 3.574 11.075 1.00 0.00 O ATOM 1020 CB ALA A 62 153.864 1.485 9.324 1.00 0.00 C ATOM 0 H ALA A 62 153.783 -0.385 10.934 1.00 0.00 H new ATOM 0 HA ALA A 62 154.303 2.367 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 62 153.805 2.439 8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 62 154.868 1.074 9.218 1.00 0.00 H new ATOM 0 HB3 ALA A 62 153.141 0.790 8.897 1.00 0.00 H new ATOM 1026 N ILE A 63 151.133 1.532 10.990 1.00 0.00 N ATOM 1027 CA ILE A 63 149.773 2.039 11.154 1.00 0.00 C ATOM 1028 C ILE A 63 149.595 2.666 12.535 1.00 0.00 C ATOM 1029 O ILE A 63 149.012 3.741 12.666 1.00 0.00 O ATOM 1030 CB ILE A 63 148.717 0.927 10.959 1.00 0.00 C ATOM 1031 CG1 ILE A 63 148.950 0.191 9.636 1.00 0.00 C ATOM 1032 CG2 ILE A 63 147.310 1.514 11.002 1.00 0.00 C ATOM 1033 CD1 ILE A 63 148.555 -1.270 9.672 1.00 0.00 C ATOM 0 H ILE A 63 151.198 0.518 10.900 1.00 0.00 H new ATOM 0 HA ILE A 63 149.621 2.796 10.385 1.00 0.00 H new ATOM 0 HB ILE A 63 148.817 0.210 11.774 1.00 0.00 H new ATOM 0 HG12 ILE A 63 148.386 0.691 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 63 150.004 0.266 9.370 1.00 0.00 H new ATOM 0 HG21 ILE A 63 146.579 0.717 10.863 1.00 0.00 H new ATOM 0 HG22 ILE A 63 147.145 1.994 11.967 1.00 0.00 H new ATOM 0 HG23 ILE A 63 147.199 2.251 10.207 1.00 0.00 H new ATOM 0 HD11 ILE A 63 148.749 -1.723 8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 63 149.137 -1.786 10.436 1.00 0.00 H new ATOM 0 HD13 ILE A 63 147.494 -1.354 9.906 1.00 0.00 H new ATOM 1045 N ASP A 64 150.108 1.988 13.562 1.00 0.00 N ATOM 1046 CA ASP A 64 150.012 2.481 14.934 1.00 0.00 C ATOM 1047 C ASP A 64 150.677 3.849 15.074 1.00 0.00 C ATOM 1048 O ASP A 64 150.118 4.759 15.688 1.00 0.00 O ATOM 1049 CB ASP A 64 150.658 1.488 15.904 1.00 0.00 C ATOM 1050 CG ASP A 64 149.651 0.532 16.511 1.00 0.00 C ATOM 1051 OD1 ASP A 64 149.096 -0.301 15.763 1.00 0.00 O ATOM 1052 OD2 ASP A 64 149.417 0.615 17.735 1.00 0.00 O ATOM 0 H ASP A 64 150.594 1.096 13.469 1.00 0.00 H new ATOM 0 HA ASP A 64 148.955 2.585 15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 64 151.424 0.918 15.379 1.00 0.00 H new ATOM 0 HB3 ASP A 64 151.159 2.037 16.701 1.00 0.00 H new ATOM 1057 N ILE A 65 151.872 3.988 14.501 1.00 0.00 N ATOM 1058 CA ILE A 65 152.609 5.248 14.564 1.00 0.00 C ATOM 1059 C ILE A 65 151.910 6.336 13.747 1.00 0.00 C ATOM 1060 O ILE A 65 151.824 7.485 14.179 1.00 0.00 O ATOM 1061 CB ILE A 65 154.064 5.089 14.064 1.00 0.00 C ATOM 1062 CG1 ILE A 65 154.758 3.927 14.786 1.00 0.00 C ATOM 1063 CG2 ILE A 65 154.841 6.383 14.272 1.00 0.00 C ATOM 1064 CD1 ILE A 65 155.980 3.405 14.060 1.00 0.00 C ATOM 0 H ILE A 65 152.349 3.245 13.989 1.00 0.00 H new ATOM 0 HA ILE A 65 152.633 5.544 15.613 1.00 0.00 H new ATOM 0 HB ILE A 65 154.039 4.866 12.997 1.00 0.00 H new ATOM 0 HG12 ILE A 65 155.051 4.253 15.784 1.00 0.00 H new ATOM 0 HG13 ILE A 65 154.046 3.112 14.913 1.00 0.00 H new ATOM 0 HG21 ILE A 65 155.863 6.255 13.915 1.00 0.00 H new ATOM 0 HG22 ILE A 65 154.361 7.189 13.717 1.00 0.00 H new ATOM 0 HG23 ILE A 65 154.856 6.632 15.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 156.418 2.585 14.629 1.00 0.00 H new ATOM 0 HD12 ILE A 65 155.691 3.047 13.072 1.00 0.00 H new ATOM 0 HD13 ILE A 65 156.712 4.206 13.956 1.00 0.00 H new ATOM 1076 N LEU A 66 151.412 5.968 12.567 1.00 0.00 N ATOM 1077 CA LEU A 66 150.719 6.919 11.700 1.00 0.00 C ATOM 1078 C LEU A 66 149.377 7.344 12.306 1.00 0.00 C ATOM 1079 O LEU A 66 148.997 8.513 12.227 1.00 0.00 O ATOM 1080 CB LEU A 66 150.502 6.313 10.309 1.00 0.00 C ATOM 1081 CG LEU A 66 150.313 7.330 9.181 1.00 0.00 C ATOM 1082 CD1 LEU A 66 151.658 7.762 8.616 1.00 0.00 C ATOM 1083 CD2 LEU A 66 149.434 6.748 8.084 1.00 0.00 C ATOM 0 H LEU A 66 151.475 5.022 12.191 1.00 0.00 H new ATOM 0 HA LEU A 66 151.346 7.806 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 66 151.356 5.680 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 149.626 5.666 10.344 1.00 0.00 H new ATOM 0 HG LEU A 66 149.817 8.210 9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 66 151.501 8.485 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 66 152.255 8.219 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 66 152.183 6.892 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 66 149.309 7.483 7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 66 149.904 5.852 7.679 1.00 0.00 H new ATOM 0 HD23 LEU A 66 148.459 6.491 8.497 1.00 0.00 H new ATOM 1095 N ASP A 67 148.667 6.384 12.906 1.00 0.00 N ATOM 1096 CA ASP A 67 147.364 6.648 13.525 1.00 0.00 C ATOM 1097 C ASP A 67 147.480 7.643 14.684 1.00 0.00 C ATOM 1098 O ASP A 67 146.643 8.536 14.827 1.00 0.00 O ATOM 1099 CB ASP A 67 146.730 5.342 14.027 1.00 0.00 C ATOM 1100 CG ASP A 67 146.069 4.527 12.925 1.00 0.00 C ATOM 1101 OD1 ASP A 67 145.811 5.082 11.834 1.00 0.00 O ATOM 1102 OD2 ASP A 67 145.804 3.328 13.155 1.00 0.00 O ATOM 0 H ASP A 67 148.974 5.414 12.976 1.00 0.00 H new ATOM 0 HA ASP A 67 146.726 7.089 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 67 147.498 4.735 14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 67 145.988 5.577 14.790 1.00 0.00 H new ATOM 1107 N ARG A 68 148.519 7.487 15.508 1.00 0.00 N ATOM 1108 CA ARG A 68 148.734 8.379 16.649 1.00 0.00 C ATOM 1109 C ARG A 68 149.093 9.791 16.180 1.00 0.00 C ATOM 1110 O ARG A 68 148.835 10.770 16.882 1.00 0.00 O ATOM 1111 CB ARG A 68 149.832 7.831 17.572 1.00 0.00 C ATOM 1112 CG ARG A 68 151.223 7.849 16.957 1.00 0.00 C ATOM 1113 CD ARG A 68 152.261 8.382 17.933 1.00 0.00 C ATOM 1114 NE ARG A 68 153.613 8.344 17.372 1.00 0.00 N ATOM 1115 CZ ARG A 68 154.634 9.078 17.825 1.00 0.00 C ATOM 1116 NH1 ARG A 68 154.472 9.902 18.857 1.00 0.00 N ATOM 1117 NH2 ARG A 68 155.825 8.984 17.245 1.00 0.00 N ATOM 0 H ARG A 68 149.222 6.755 15.407 1.00 0.00 H new ATOM 0 HA ARG A 68 147.802 8.430 17.212 1.00 0.00 H new ATOM 0 HB2 ARG A 68 149.845 8.416 18.492 1.00 0.00 H new ATOM 0 HB3 ARG A 68 149.582 6.807 17.849 1.00 0.00 H new ATOM 0 HG2 ARG A 68 151.498 6.840 16.648 1.00 0.00 H new ATOM 0 HG3 ARG A 68 151.216 8.467 16.059 1.00 0.00 H new ATOM 0 HD2 ARG A 68 152.010 9.407 18.205 1.00 0.00 H new ATOM 0 HD3 ARG A 68 152.232 7.793 18.850 1.00 0.00 H new ATOM 0 HE ARG A 68 153.787 7.718 16.586 1.00 0.00 H new ATOM 0 HH11 ARG A 68 153.562 9.978 19.311 1.00 0.00 H new ATOM 0 HH12 ARG A 68 155.258 10.457 19.194 1.00 0.00 H new ATOM 0 HH21 ARG A 68 155.959 8.353 16.455 1.00 0.00 H new ATOM 0 HH22 ARG A 68 156.605 9.543 17.589 1.00 0.00 H new ATOM 1131 N SER A 69 149.687 9.889 14.988 1.00 0.00 N ATOM 1132 CA SER A 69 150.074 11.179 14.426 1.00 0.00 C ATOM 1133 C SER A 69 148.839 11.983 14.016 1.00 0.00 C ATOM 1134 O SER A 69 147.983 11.489 13.280 1.00 0.00 O ATOM 1135 CB SER A 69 150.995 10.975 13.220 1.00 0.00 C ATOM 1136 OG SER A 69 151.657 12.180 12.866 1.00 0.00 O ATOM 0 H SER A 69 149.909 9.089 14.396 1.00 0.00 H new ATOM 0 HA SER A 69 150.611 11.740 15.191 1.00 0.00 H new ATOM 0 HB2 SER A 69 151.733 10.206 13.449 1.00 0.00 H new ATOM 0 HB3 SER A 69 150.413 10.615 12.372 1.00 0.00 H new ATOM 0 HG SER A 69 151.136 12.651 12.183 1.00 0.00 H new ATOM 1142 N SER A 70 148.755 13.224 14.501 1.00 0.00 N ATOM 1143 CA SER A 70 147.626 14.105 14.192 1.00 0.00 C ATOM 1144 C SER A 70 147.520 14.371 12.690 1.00 0.00 C ATOM 1145 O SER A 70 146.419 14.466 12.146 1.00 0.00 O ATOM 1146 CB SER A 70 147.770 15.435 14.941 1.00 0.00 C ATOM 1147 OG SER A 70 147.446 15.289 16.313 1.00 0.00 O ATOM 0 H SER A 70 149.457 13.642 15.111 1.00 0.00 H new ATOM 0 HA SER A 70 146.715 13.601 14.516 1.00 0.00 H new ATOM 0 HB2 SER A 70 148.792 15.802 14.843 1.00 0.00 H new ATOM 0 HB3 SER A 70 147.118 16.183 14.488 1.00 0.00 H new ATOM 0 HG SER A 70 147.548 16.152 16.767 1.00 0.00 H new ATOM 1153 N SER A 71 148.670 14.498 12.027 1.00 0.00 N ATOM 1154 CA SER A 71 148.703 14.761 10.589 1.00 0.00 C ATOM 1155 C SER A 71 148.140 13.580 9.798 1.00 0.00 C ATOM 1156 O SER A 71 147.097 13.703 9.153 1.00 0.00 O ATOM 1157 CB SER A 71 150.136 15.069 10.133 1.00 0.00 C ATOM 1158 OG SER A 71 151.093 14.422 10.959 1.00 0.00 O ATOM 0 H SER A 71 149.589 14.423 12.463 1.00 0.00 H new ATOM 0 HA SER A 71 148.075 15.630 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 71 150.268 14.747 9.100 1.00 0.00 H new ATOM 0 HB3 SER A 71 150.303 16.146 10.155 1.00 0.00 H new ATOM 0 HG SER A 71 151.996 14.636 10.643 1.00 0.00 H new ATOM 1164 N MET A 72 148.839 12.441 9.859 1.00 0.00 N ATOM 1165 CA MET A 72 148.428 11.220 9.156 1.00 0.00 C ATOM 1166 C MET A 72 147.834 11.528 7.779 1.00 0.00 C ATOM 1167 O MET A 72 146.645 11.309 7.540 1.00 0.00 O ATOM 1168 CB MET A 72 147.426 10.415 10.000 1.00 0.00 C ATOM 1169 CG MET A 72 146.238 11.224 10.505 1.00 0.00 C ATOM 1170 SD MET A 72 144.979 10.188 11.278 1.00 0.00 S ATOM 1171 CE MET A 72 143.546 11.261 11.204 1.00 0.00 C ATOM 0 H MET A 72 149.701 12.339 10.394 1.00 0.00 H new ATOM 0 HA MET A 72 149.324 10.619 9.004 1.00 0.00 H new ATOM 0 HB2 MET A 72 147.055 9.581 9.405 1.00 0.00 H new ATOM 0 HB3 MET A 72 147.950 9.988 10.855 1.00 0.00 H new ATOM 0 HG2 MET A 72 146.586 11.965 11.224 1.00 0.00 H new ATOM 0 HG3 MET A 72 145.794 11.771 9.673 1.00 0.00 H new ATOM 0 HE1 MET A 72 142.689 10.754 11.646 1.00 0.00 H new ATOM 0 HE2 MET A 72 143.750 12.179 11.756 1.00 0.00 H new ATOM 0 HE3 MET A 72 143.327 11.504 10.164 1.00 0.00 H new ATOM 1181 N LYS A 73 148.672 12.037 6.876 1.00 0.00 N ATOM 1182 CA LYS A 73 148.230 12.375 5.526 1.00 0.00 C ATOM 1183 C LYS A 73 148.828 11.411 4.501 1.00 0.00 C ATOM 1184 O LYS A 73 149.906 11.659 3.957 1.00 0.00 O ATOM 1185 CB LYS A 73 148.617 13.819 5.182 1.00 0.00 C ATOM 1186 CG LYS A 73 148.035 14.852 6.136 1.00 0.00 C ATOM 1187 CD LYS A 73 146.871 15.607 5.508 1.00 0.00 C ATOM 1188 CE LYS A 73 145.875 16.077 6.560 1.00 0.00 C ATOM 1189 NZ LYS A 73 144.742 15.121 6.724 1.00 0.00 N ATOM 0 H LYS A 73 149.659 12.224 7.056 1.00 0.00 H new ATOM 0 HA LYS A 73 147.144 12.284 5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 149.704 13.905 5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 73 148.283 14.044 4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 73 147.698 14.357 7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 148.813 15.558 6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 73 147.250 16.467 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 73 146.365 14.963 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 73 146.387 16.200 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 73 145.486 17.056 6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 144.088 15.479 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 144.237 15.023 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 145.110 14.194 7.017 1.00 0.00 H new ATOM 1203 N SER A 74 148.116 10.309 4.247 1.00 0.00 N ATOM 1204 CA SER A 74 148.559 9.292 3.287 1.00 0.00 C ATOM 1205 C SER A 74 149.868 8.633 3.727 1.00 0.00 C ATOM 1206 O SER A 74 150.516 9.081 4.675 1.00 0.00 O ATOM 1207 CB SER A 74 148.728 9.907 1.893 1.00 0.00 C ATOM 1208 OG SER A 74 147.556 10.597 1.486 1.00 0.00 O ATOM 0 H SER A 74 147.225 10.097 4.696 1.00 0.00 H new ATOM 0 HA SER A 74 147.789 8.522 3.249 1.00 0.00 H new ATOM 0 HB2 SER A 74 149.574 10.594 1.897 1.00 0.00 H new ATOM 0 HB3 SER A 74 148.959 9.122 1.173 1.00 0.00 H new ATOM 0 HG SER A 74 147.695 10.980 0.594 1.00 0.00 H new ATOM 1214 N LEU A 75 150.251 7.561 3.031 1.00 0.00 N ATOM 1215 CA LEU A 75 151.479 6.840 3.348 1.00 0.00 C ATOM 1216 C LEU A 75 152.529 7.039 2.260 1.00 0.00 C ATOM 1217 O LEU A 75 152.290 6.733 1.090 1.00 0.00 O ATOM 1218 CB LEU A 75 151.191 5.348 3.527 1.00 0.00 C ATOM 1219 CG LEU A 75 150.740 4.942 4.931 1.00 0.00 C ATOM 1220 CD1 LEU A 75 149.253 5.213 5.111 1.00 0.00 C ATOM 1221 CD2 LEU A 75 151.060 3.476 5.188 1.00 0.00 C ATOM 0 H LEU A 75 149.727 7.175 2.245 1.00 0.00 H new ATOM 0 HA LEU A 75 151.871 7.242 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 75 150.420 5.054 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 75 152.090 4.787 3.274 1.00 0.00 H new ATOM 0 HG LEU A 75 151.285 5.542 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 75 148.948 4.918 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 149.057 6.276 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 75 148.687 4.639 4.377 1.00 0.00 H new ATOM 0 HD21 LEU A 75 150.733 3.203 6.191 1.00 0.00 H new ATOM 0 HD22 LEU A 75 150.542 2.857 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 75 152.135 3.318 5.101 1.00 0.00 H new ATOM 1233 N ARG A 76 153.692 7.550 2.659 1.00 0.00 N ATOM 1234 CA ARG A 76 154.790 7.793 1.726 1.00 0.00 C ATOM 1235 C ARG A 76 155.755 6.608 1.709 1.00 0.00 C ATOM 1236 O ARG A 76 156.507 6.395 2.662 1.00 0.00 O ATOM 1237 CB ARG A 76 155.541 9.075 2.107 1.00 0.00 C ATOM 1238 CG ARG A 76 154.629 10.246 2.445 1.00 0.00 C ATOM 1239 CD ARG A 76 154.439 10.385 3.949 1.00 0.00 C ATOM 1240 NE ARG A 76 154.108 11.754 4.341 1.00 0.00 N ATOM 1241 CZ ARG A 76 154.236 12.228 5.583 1.00 0.00 C ATOM 1242 NH1 ARG A 76 154.691 11.449 6.562 1.00 0.00 N ATOM 1243 NH2 ARG A 76 153.907 13.487 5.847 1.00 0.00 N ATOM 0 H ARG A 76 153.898 7.804 3.625 1.00 0.00 H new ATOM 0 HA ARG A 76 154.369 7.914 0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 76 156.183 8.868 2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 76 156.193 9.361 1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 76 155.052 11.167 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 76 153.660 10.105 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 76 153.645 9.713 4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 76 155.351 10.074 4.459 1.00 0.00 H new ATOM 0 HE ARG A 76 153.758 12.386 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 76 154.945 10.481 6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 76 154.785 11.820 7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 76 153.557 14.090 5.102 1.00 0.00 H new ATOM 0 HH22 ARG A 76 154.004 13.851 6.795 1.00 0.00 H new ATOM 1257 N ILE A 77 155.723 5.839 0.621 1.00 0.00 N ATOM 1258 CA ILE A 77 156.590 4.672 0.478 1.00 0.00 C ATOM 1259 C ILE A 77 157.322 4.699 -0.862 1.00 0.00 C ATOM 1260 O ILE A 77 156.707 4.909 -1.910 1.00 0.00 O ATOM 1261 CB ILE A 77 155.790 3.354 0.597 1.00 0.00 C ATOM 1262 CG1 ILE A 77 154.899 3.374 1.844 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.732 2.157 0.638 1.00 0.00 C ATOM 1264 CD1 ILE A 77 153.828 2.303 1.841 1.00 0.00 C ATOM 0 H ILE A 77 155.106 6.004 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 77 157.318 4.713 1.288 1.00 0.00 H new ATOM 0 HB ILE A 77 155.152 3.262 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 77 155.523 3.249 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 77 154.423 4.351 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 77 156.150 1.239 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 77 157.325 2.129 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 77 157.396 2.246 1.498 1.00 0.00 H new ATOM 0 HD11 ILE A 77 153.236 2.378 2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 77 153.179 2.439 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 77 154.297 1.320 1.792 1.00 0.00 H new ATOM 1276 N LEU A 78 158.636 4.484 -0.822 1.00 0.00 N ATOM 1277 CA LEU A 78 159.449 4.481 -2.034 1.00 0.00 C ATOM 1278 C LEU A 78 159.768 3.053 -2.463 1.00 0.00 C ATOM 1279 O LEU A 78 160.271 2.253 -1.672 1.00 0.00 O ATOM 1280 CB LEU A 78 160.746 5.266 -1.811 1.00 0.00 C ATOM 1281 CG LEU A 78 161.437 5.753 -3.089 1.00 0.00 C ATOM 1282 CD1 LEU A 78 160.958 7.150 -3.461 1.00 0.00 C ATOM 1283 CD2 LEU A 78 162.949 5.733 -2.918 1.00 0.00 C ATOM 0 H LEU A 78 159.159 4.310 0.036 1.00 0.00 H new ATOM 0 HA LEU A 78 158.879 4.964 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 78 160.527 6.130 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 78 161.443 4.637 -1.256 1.00 0.00 H new ATOM 0 HG LEU A 78 161.173 5.075 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 78 161.461 7.477 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 78 159.881 7.133 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 78 161.189 7.842 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 78 163.424 6.082 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 78 163.230 6.387 -2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 78 163.278 4.716 -2.704 1.00 0.00 H new ATOM 1295 N LEU A 79 159.466 2.741 -3.721 1.00 0.00 N ATOM 1296 CA LEU A 79 159.711 1.409 -4.265 1.00 0.00 C ATOM 1297 C LEU A 79 161.067 1.343 -4.959 1.00 0.00 C ATOM 1298 O LEU A 79 161.424 2.233 -5.734 1.00 0.00 O ATOM 1299 CB LEU A 79 158.604 1.027 -5.250 1.00 0.00 C ATOM 1300 CG LEU A 79 157.180 1.149 -4.704 1.00 0.00 C ATOM 1301 CD1 LEU A 79 156.223 1.601 -5.797 1.00 0.00 C ATOM 1302 CD2 LEU A 79 156.726 -0.172 -4.099 1.00 0.00 C ATOM 0 H LEU A 79 159.050 3.395 -4.384 1.00 0.00 H new ATOM 0 HA LEU A 79 159.713 0.701 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 79 158.693 1.657 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 79 158.766 -0.001 -5.574 1.00 0.00 H new ATOM 0 HG LEU A 79 157.176 1.904 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 79 155.216 1.682 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 79 156.539 2.572 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 156.228 0.874 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 79 155.711 -0.067 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 79 156.746 -0.948 -4.864 1.00 0.00 H new ATOM 0 HD23 LEU A 79 157.395 -0.448 -3.284 1.00 0.00 H new ATOM 1314 N LEU A 80 161.819 0.280 -4.677 1.00 0.00 N ATOM 1315 CA LEU A 80 163.138 0.088 -5.274 1.00 0.00 C ATOM 1316 C LEU A 80 163.472 -1.398 -5.397 1.00 0.00 C ATOM 1317 O LEU A 80 163.108 -2.200 -4.535 1.00 0.00 O ATOM 1318 CB LEU A 80 164.210 0.802 -4.442 1.00 0.00 C ATOM 1319 CG LEU A 80 164.319 0.344 -2.985 1.00 0.00 C ATOM 1320 CD1 LEU A 80 165.634 -0.386 -2.749 1.00 0.00 C ATOM 1321 CD2 LEU A 80 164.186 1.533 -2.042 1.00 0.00 C ATOM 0 H LEU A 80 161.536 -0.462 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 80 163.121 0.519 -6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 80 165.177 0.658 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 80 164.004 1.872 -4.455 1.00 0.00 H new ATOM 0 HG LEU A 80 163.504 -0.350 -2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 80 165.692 -0.703 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 80 165.687 -1.260 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 80 166.466 0.282 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 80 164.266 1.190 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 80 164.980 2.251 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 80 163.217 2.010 -2.192 1.00 0.00 H new ATOM 1333 N SER A 81 164.166 -1.756 -6.478 1.00 0.00 N ATOM 1334 CA SER A 81 164.554 -3.143 -6.727 1.00 0.00 C ATOM 1335 C SER A 81 165.494 -3.655 -5.639 1.00 0.00 C ATOM 1336 O SER A 81 166.515 -3.031 -5.342 1.00 0.00 O ATOM 1337 CB SER A 81 165.229 -3.272 -8.095 1.00 0.00 C ATOM 1338 OG SER A 81 164.429 -2.701 -9.115 1.00 0.00 O ATOM 0 H SER A 81 164.472 -1.101 -7.197 1.00 0.00 H new ATOM 0 HA SER A 81 163.648 -3.749 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 81 166.201 -2.779 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 81 165.410 -4.324 -8.317 1.00 0.00 H new ATOM 0 HG SER A 81 164.883 -2.795 -9.978 1.00 0.00 H new ATOM 1344 N GLN A 82 165.140 -4.795 -5.051 1.00 0.00 N ATOM 1345 CA GLN A 82 165.944 -5.402 -3.997 1.00 0.00 C ATOM 1346 C GLN A 82 165.812 -6.927 -4.022 1.00 0.00 C ATOM 1347 O GLN A 82 165.729 -7.569 -2.972 1.00 0.00 O ATOM 1348 CB GLN A 82 165.518 -4.854 -2.629 1.00 0.00 C ATOM 1349 CG GLN A 82 166.590 -4.986 -1.560 1.00 0.00 C ATOM 1350 CD GLN A 82 167.410 -3.719 -1.395 1.00 0.00 C ATOM 1351 OE1 GLN A 82 167.229 -2.971 -0.435 1.00 0.00 O ATOM 1352 NE2 GLN A 82 168.315 -3.469 -2.336 1.00 0.00 N ATOM 0 H GLN A 82 164.297 -5.318 -5.289 1.00 0.00 H new ATOM 0 HA GLN A 82 166.990 -5.148 -4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 82 165.250 -3.803 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 82 164.622 -5.379 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 82 166.120 -5.237 -0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 82 167.253 -5.813 -1.816 1.00 0.00 H new ATOM 0 HE21 GLN A 82 168.432 -4.116 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A 82 168.892 -2.630 -2.279 1.00 0.00 H new ATOM 1361 N ASP A 83 165.789 -7.503 -5.226 1.00 0.00 N ATOM 1362 CA ASP A 83 165.660 -8.950 -5.379 1.00 0.00 C ATOM 1363 C ASP A 83 166.983 -9.583 -5.811 1.00 0.00 C ATOM 1364 O ASP A 83 167.447 -9.373 -6.931 1.00 0.00 O ATOM 1365 CB ASP A 83 164.549 -9.285 -6.384 1.00 0.00 C ATOM 1366 CG ASP A 83 164.735 -8.609 -7.733 1.00 0.00 C ATOM 1367 OD1 ASP A 83 164.595 -7.368 -7.802 1.00 0.00 O ATOM 1368 OD2 ASP A 83 165.007 -9.322 -8.721 1.00 0.00 O ATOM 0 H ASP A 83 165.858 -6.990 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 83 165.392 -9.368 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 83 164.513 -10.365 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 83 163.588 -8.987 -5.965 1.00 0.00 H new ATOM 1373 N ARG A 84 167.581 -10.360 -4.901 1.00 0.00 N ATOM 1374 CA ARG A 84 168.855 -11.037 -5.159 1.00 0.00 C ATOM 1375 C ARG A 84 169.984 -10.026 -5.372 1.00 0.00 C ATOM 1376 O ARG A 84 170.187 -9.532 -6.483 1.00 0.00 O ATOM 1377 CB ARG A 84 168.752 -11.970 -6.376 1.00 0.00 C ATOM 1378 CG ARG A 84 167.474 -12.798 -6.426 1.00 0.00 C ATOM 1379 CD ARG A 84 167.261 -13.595 -5.146 1.00 0.00 C ATOM 1380 NE ARG A 84 166.716 -14.928 -5.410 1.00 0.00 N ATOM 1381 CZ ARG A 84 166.118 -15.689 -4.488 1.00 0.00 C ATOM 1382 NH1 ARG A 84 165.985 -15.254 -3.238 1.00 0.00 N ATOM 1383 NH2 ARG A 84 165.651 -16.889 -4.816 1.00 0.00 N ATOM 0 H ARG A 84 167.198 -10.536 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 84 169.086 -11.638 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 84 168.819 -11.371 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 84 169.608 -12.645 -6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 84 166.621 -12.139 -6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 84 167.517 -13.480 -7.275 1.00 0.00 H new ATOM 0 HD2 ARG A 84 168.209 -13.690 -4.617 1.00 0.00 H new ATOM 0 HD3 ARG A 84 166.583 -13.050 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 84 166.798 -15.299 -6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 84 166.340 -14.334 -2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 84 165.528 -15.840 -2.540 1.00 0.00 H new ATOM 0 HH21 ARG A 84 165.749 -17.230 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 84 165.195 -17.469 -4.112 1.00 0.00 H new ATOM 1397 N ASN A 85 170.715 -9.726 -4.299 1.00 0.00 N ATOM 1398 CA ASN A 85 171.824 -8.777 -4.362 1.00 0.00 C ATOM 1399 C ASN A 85 173.163 -9.504 -4.481 1.00 0.00 C ATOM 1400 O ASN A 85 173.485 -10.369 -3.664 1.00 0.00 O ATOM 1401 CB ASN A 85 171.828 -7.880 -3.118 1.00 0.00 C ATOM 1402 CG ASN A 85 171.579 -6.421 -3.454 1.00 0.00 C ATOM 1403 OD1 ASN A 85 170.434 -5.992 -3.598 1.00 0.00 O ATOM 1404 ND2 ASN A 85 172.653 -5.649 -3.581 1.00 0.00 N ATOM 0 H ASN A 85 170.558 -10.128 -3.375 1.00 0.00 H new ATOM 0 HA ASN A 85 171.687 -8.159 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 85 171.063 -8.225 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 85 172.787 -7.974 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 85 172.546 -4.660 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 85 173.584 -6.045 -3.453 1.00 0.00 H new ATOM 1411 N LEU A 86 173.939 -9.144 -5.504 1.00 0.00 N ATOM 1412 CA LEU A 86 175.248 -9.753 -5.735 1.00 0.00 C ATOM 1413 C LEU A 86 176.293 -8.686 -6.060 1.00 0.00 C ATOM 1414 O LEU A 86 177.306 -8.568 -5.368 1.00 0.00 O ATOM 1415 CB LEU A 86 175.172 -10.777 -6.874 1.00 0.00 C ATOM 1416 CG LEU A 86 175.505 -12.219 -6.478 1.00 0.00 C ATOM 1417 CD1 LEU A 86 174.571 -13.192 -7.179 1.00 0.00 C ATOM 1418 CD2 LEU A 86 176.957 -12.543 -6.805 1.00 0.00 C ATOM 0 H LEU A 86 173.682 -8.432 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 86 175.547 -10.265 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 86 174.166 -10.755 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 86 175.855 -10.468 -7.665 1.00 0.00 H new ATOM 0 HG LEU A 86 175.365 -12.321 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 86 174.822 -14.212 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 86 173.541 -12.976 -6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 86 174.680 -13.087 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 86 177.174 -13.571 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 86 177.124 -12.423 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 86 177.613 -11.866 -6.257 1.00 0.00 H new ATOM 1430 N GLU A 87 176.039 -7.911 -7.116 1.00 0.00 N ATOM 1431 CA GLU A 87 176.953 -6.850 -7.534 1.00 0.00 C ATOM 1432 C GLU A 87 176.189 -5.678 -8.151 1.00 0.00 C ATOM 1433 O GLU A 87 174.994 -5.784 -8.434 1.00 0.00 O ATOM 1434 CB GLU A 87 177.976 -7.392 -8.537 1.00 0.00 C ATOM 1435 CG GLU A 87 179.401 -7.412 -8.006 1.00 0.00 C ATOM 1436 CD GLU A 87 180.042 -6.037 -7.993 1.00 0.00 C ATOM 1437 OE1 GLU A 87 179.611 -5.186 -7.185 1.00 0.00 O ATOM 1438 OE2 GLU A 87 180.973 -5.810 -8.793 1.00 0.00 O ATOM 0 H GLU A 87 175.206 -8.000 -7.698 1.00 0.00 H new ATOM 0 HA GLU A 87 177.477 -6.491 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 87 177.690 -8.404 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.943 -6.784 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.401 -7.818 -6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.003 -8.083 -8.619 1.00 0.00 H new ATOM 1445 N HIS A 88 176.888 -4.562 -8.357 1.00 0.00 N ATOM 1446 CA HIS A 88 176.279 -3.368 -8.939 1.00 0.00 C ATOM 1447 C HIS A 88 176.145 -3.499 -10.456 1.00 0.00 C ATOM 1448 O HIS A 88 177.126 -3.757 -11.155 1.00 0.00 O ATOM 1449 CB HIS A 88 177.106 -2.124 -8.595 1.00 0.00 C ATOM 1450 CG HIS A 88 176.696 -1.470 -7.312 1.00 0.00 C ATOM 1451 ND1 HIS A 88 177.190 -1.849 -6.081 1.00 0.00 N ATOM 1452 CD2 HIS A 88 175.836 -0.451 -7.072 1.00 0.00 C ATOM 1453 CE1 HIS A 88 176.650 -1.094 -5.140 1.00 0.00 C ATOM 1454 NE2 HIS A 88 175.825 -0.238 -5.715 1.00 0.00 N ATOM 0 H HIS A 88 177.877 -4.461 -8.129 1.00 0.00 H new ATOM 0 HA HIS A 88 175.281 -3.263 -8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 88 178.158 -2.403 -8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 88 177.016 -1.402 -9.407 1.00 0.00 H new ATOM 0 HD2 HIS A 88 175.265 0.093 -7.810 1.00 0.00 H new ATOM 0 HE1 HIS A 88 176.850 -1.165 -4.081 1.00 0.00 H new ATOM 0 HE2 HIS A 88 175.270 0.467 -5.230 1.00 0.00 H new ATOM 1463 N HIS A 89 174.922 -3.315 -10.955 1.00 0.00 N ATOM 1464 CA HIS A 89 174.651 -3.409 -12.390 1.00 0.00 C ATOM 1465 C HIS A 89 174.984 -2.097 -13.100 1.00 0.00 C ATOM 1466 O HIS A 89 175.329 -1.101 -12.460 1.00 0.00 O ATOM 1467 CB HIS A 89 173.181 -3.772 -12.631 1.00 0.00 C ATOM 1468 CG HIS A 89 172.830 -5.181 -12.253 1.00 0.00 C ATOM 1469 ND1 HIS A 89 173.658 -6.260 -12.491 1.00 0.00 N ATOM 1470 CD2 HIS A 89 171.725 -5.685 -11.652 1.00 0.00 C ATOM 1471 CE1 HIS A 89 173.077 -7.364 -12.055 1.00 0.00 C ATOM 1472 NE2 HIS A 89 171.904 -7.042 -11.541 1.00 0.00 N ATOM 0 H HIS A 89 174.103 -3.100 -10.386 1.00 0.00 H new ATOM 0 HA HIS A 89 175.287 -4.194 -12.801 1.00 0.00 H new ATOM 0 HB2 HIS A 89 172.551 -3.087 -12.064 1.00 0.00 H new ATOM 0 HB3 HIS A 89 172.948 -3.621 -13.685 1.00 0.00 H new ATOM 0 HD2 HIS A 89 170.863 -5.124 -11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 89 173.491 -8.360 -12.110 1.00 0.00 H new ATOM 0 HE2 HIS A 89 171.238 -7.696 -11.128 1.00 0.00 H new ATOM 1481 N HIS A 90 174.875 -2.104 -14.429 1.00 0.00 N ATOM 1482 CA HIS A 90 175.162 -0.919 -15.231 1.00 0.00 C ATOM 1483 C HIS A 90 174.091 -0.705 -16.299 1.00 0.00 C ATOM 1484 O HIS A 90 174.171 -1.265 -17.395 1.00 0.00 O ATOM 1485 CB HIS A 90 176.539 -1.046 -15.892 1.00 0.00 C ATOM 1486 CG HIS A 90 177.043 0.234 -16.486 1.00 0.00 C ATOM 1487 ND1 HIS A 90 178.134 0.917 -15.990 1.00 0.00 N ATOM 1488 CD2 HIS A 90 176.602 0.955 -17.546 1.00 0.00 C ATOM 1489 CE1 HIS A 90 178.342 2.001 -16.718 1.00 0.00 C ATOM 1490 NE2 HIS A 90 177.427 2.047 -17.668 1.00 0.00 N ATOM 0 H HIS A 90 174.590 -2.919 -14.971 1.00 0.00 H new ATOM 0 HA HIS A 90 175.161 -0.055 -14.566 1.00 0.00 H new ATOM 0 HB2 HIS A 90 177.256 -1.400 -15.151 1.00 0.00 H new ATOM 0 HB3 HIS A 90 176.488 -1.804 -16.674 1.00 0.00 H new ATOM 0 HD2 HIS A 90 175.759 0.716 -18.177 1.00 0.00 H new ATOM 0 HE1 HIS A 90 179.127 2.726 -16.562 1.00 0.00 H new ATOM 0 HE2 HIS A 90 177.345 2.775 -18.378 1.00 0.00 H new ATOM 1499 N HIS A 91 173.093 0.115 -15.974 1.00 0.00 N ATOM 1500 CA HIS A 91 172.007 0.414 -16.904 1.00 0.00 C ATOM 1501 C HIS A 91 171.775 1.921 -16.997 1.00 0.00 C ATOM 1502 O HIS A 91 171.386 2.559 -16.016 1.00 0.00 O ATOM 1503 CB HIS A 91 170.717 -0.289 -16.469 1.00 0.00 C ATOM 1504 CG HIS A 91 169.583 -0.111 -17.436 1.00 0.00 C ATOM 1505 ND1 HIS A 91 168.288 0.144 -17.038 1.00 0.00 N ATOM 1506 CD2 HIS A 91 169.559 -0.142 -18.791 1.00 0.00 C ATOM 1507 CE1 HIS A 91 167.516 0.261 -18.105 1.00 0.00 C ATOM 1508 NE2 HIS A 91 168.263 0.094 -19.182 1.00 0.00 N ATOM 0 H HIS A 91 173.015 0.585 -15.072 1.00 0.00 H new ATOM 0 HA HIS A 91 172.294 0.044 -17.888 1.00 0.00 H new ATOM 0 HB2 HIS A 91 170.916 -1.354 -16.347 1.00 0.00 H new ATOM 0 HB3 HIS A 91 170.416 0.093 -15.494 1.00 0.00 H new ATOM 0 HD2 HIS A 91 170.402 -0.319 -19.442 1.00 0.00 H new ATOM 0 HE1 HIS A 91 166.454 0.459 -18.098 1.00 0.00 H new ATOM 0 HE2 HIS A 91 167.932 0.134 -20.146 1.00 0.00 H new ATOM 1517 N HIS A 92 172.015 2.481 -18.181 1.00 0.00 N ATOM 1518 CA HIS A 92 171.833 3.912 -18.406 1.00 0.00 C ATOM 1519 C HIS A 92 170.567 4.181 -19.220 1.00 0.00 C ATOM 1520 O HIS A 92 169.853 3.251 -19.600 1.00 0.00 O ATOM 1521 CB HIS A 92 173.053 4.495 -19.126 1.00 0.00 C ATOM 1522 CG HIS A 92 173.554 5.770 -18.520 1.00 0.00 C ATOM 1523 ND1 HIS A 92 174.101 5.842 -17.257 1.00 0.00 N ATOM 1524 CD2 HIS A 92 173.587 7.031 -19.014 1.00 0.00 C ATOM 1525 CE1 HIS A 92 174.447 7.091 -16.999 1.00 0.00 C ATOM 1526 NE2 HIS A 92 174.147 7.832 -18.050 1.00 0.00 N ATOM 0 H HIS A 92 172.336 1.964 -19.000 1.00 0.00 H new ATOM 0 HA HIS A 92 171.727 4.397 -17.436 1.00 0.00 H new ATOM 0 HB2 HIS A 92 173.856 3.758 -19.117 1.00 0.00 H new ATOM 0 HB3 HIS A 92 172.797 4.675 -20.170 1.00 0.00 H new ATOM 0 HD2 HIS A 92 173.238 7.347 -19.986 1.00 0.00 H new ATOM 0 HE1 HIS A 92 174.898 7.445 -16.084 1.00 0.00 H new ATOM 0 HE2 HIS A 92 174.306 8.836 -18.132 1.00 0.00 H new ATOM 1535 N HIS A 93 170.297 5.462 -19.482 1.00 0.00 N ATOM 1536 CA HIS A 93 169.118 5.862 -20.251 1.00 0.00 C ATOM 1537 C HIS A 93 169.298 5.568 -21.742 1.00 0.00 C ATOM 1538 O HIS A 93 168.317 5.738 -22.497 1.00 0.00 O ATOM 1539 CB HIS A 93 168.823 7.354 -20.046 1.00 0.00 C ATOM 1540 CG HIS A 93 169.911 8.259 -20.545 1.00 0.00 C ATOM 1541 ND1 HIS A 93 170.930 8.728 -19.742 1.00 0.00 N ATOM 1542 CD2 HIS A 93 170.140 8.772 -21.777 1.00 0.00 C ATOM 1543 CE1 HIS A 93 171.737 9.490 -20.459 1.00 0.00 C ATOM 1544 NE2 HIS A 93 171.281 9.532 -21.697 1.00 0.00 N ATOM 1545 OXT HIS A 93 170.414 5.171 -22.144 1.00 0.00 O ATOM 0 H HIS A 93 170.880 6.240 -19.172 1.00 0.00 H new ATOM 0 HA HIS A 93 168.274 5.277 -19.887 1.00 0.00 H new ATOM 0 HB2 HIS A 93 167.892 7.604 -20.555 1.00 0.00 H new ATOM 0 HB3 HIS A 93 168.666 7.541 -18.984 1.00 0.00 H new ATOM 0 HD2 HIS A 93 169.537 8.613 -22.659 1.00 0.00 H new ATOM 0 HE1 HIS A 93 172.620 9.993 -20.094 1.00 0.00 H new ATOM 0 HE2 HIS A 93 171.707 10.045 -22.469 1.00 0.00 H new TER 1554 HIS A 93