USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=18 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 89 HIS : no HD1:sc= 0 X(o=-0.0017,f=-0.13) USER MOD Set 1.2: A 90 HIS : no HD1:sc=-0.00173 X(o=-0.0017,f=-0.13) USER MOD Set 2.1: A 46 ASN : amide:sc= -0.54 K(o=-2.8,f=-7.8) USER MOD Set 2.2: A 72 MET CE :methyl 176:sc= -2.21! (180deg=-2.09!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -153:sc= -0.114 (180deg=-0.887) USER MOD Single : A 2 SER OG : rot -100:sc= -0.225 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HE2:sc= -2.19 K(o=-2.2,f=-3!) USER MOD Single : A 11 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0611 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 72:sc= 0.755 USER MOD Single : A 30 HIS : no HD1:sc= -0.0929 X(o=-0.093,f=-0.27) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0711 (180deg=-0.329) USER MOD Single : A 33 THR OG1 : rot 75:sc= 0.515 USER MOD Single : A 34 THR OG1 : rot 72:sc= 0.984 USER MOD Single : A 38 GLN : amide:sc= -0.332 K(o=-0.33,f=-2!) USER MOD Single : A 43 HIS : no HD1:sc= -0.885 X(o=-0.88,f=-1.4) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.897 USER MOD Single : A 45 MET CE :methyl -103:sc= -0.0199 (180deg=-2.04!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= 0.813 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0699 K(o=-0.07,f=-1.2) USER MOD Single : A 56 GLN : amide:sc= -1.06 K(o=-1.1,f=-6.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 166:sc= -0.442 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00299 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 25:sc= 0.5 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0218 X(o=-0.022,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= -0.233 X(o=-0.23,f=-0.41) USER MOD Single : A 91 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.22) USER MOD Single : A 92 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.26) USER MOD Single : A 93 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 135.957 -7.941 4.336 1.00 0.00 N ATOM 2 CA GLN A 1 136.499 -8.236 5.693 1.00 0.00 C ATOM 3 C GLN A 1 137.139 -7.001 6.324 1.00 0.00 C ATOM 4 O GLN A 1 136.857 -6.669 7.478 1.00 0.00 O ATOM 5 CB GLN A 1 137.529 -9.366 5.587 1.00 0.00 C ATOM 6 CG GLN A 1 136.939 -10.678 5.092 1.00 0.00 C ATOM 7 CD GLN A 1 137.966 -11.573 4.421 1.00 0.00 C ATOM 8 OE1 GLN A 1 138.416 -12.561 5.000 1.00 0.00 O ATOM 9 NE2 GLN A 1 138.344 -11.231 3.193 1.00 0.00 N ATOM 0 H1 GLN A 1 135.171 -8.590 4.127 1.00 0.00 H new ATOM 0 H2 GLN A 1 135.613 -6.960 4.305 1.00 0.00 H new ATOM 0 H3 GLN A 1 136.708 -8.067 3.627 1.00 0.00 H new ATOM 0 HA GLN A 1 135.673 -8.541 6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 1 138.327 -9.058 4.912 1.00 0.00 H new ATOM 0 HB3 GLN A 1 137.983 -9.527 6.565 1.00 0.00 H new ATOM 0 HG2 GLN A 1 136.495 -11.211 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 1 136.134 -10.466 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 1 137.946 -10.404 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 1 139.032 -11.796 2.695 1.00 0.00 H new ATOM 17 N SER A 2 138.001 -6.327 5.565 1.00 0.00 N ATOM 18 CA SER A 2 138.683 -5.131 6.056 1.00 0.00 C ATOM 19 C SER A 2 139.024 -4.174 4.909 1.00 0.00 C ATOM 20 O SER A 2 138.638 -4.406 3.761 1.00 0.00 O ATOM 21 CB SER A 2 139.954 -5.522 6.819 1.00 0.00 C ATOM 22 OG SER A 2 139.727 -6.635 7.671 1.00 0.00 O ATOM 0 H SER A 2 138.244 -6.588 4.609 1.00 0.00 H new ATOM 0 HA SER A 2 138.006 -4.612 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 140.747 -5.761 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 2 140.300 -4.674 7.410 1.00 0.00 H new ATOM 0 HG SER A 2 139.597 -6.322 8.591 1.00 0.00 H new ATOM 28 N ASP A 3 139.745 -3.093 5.231 1.00 0.00 N ATOM 29 CA ASP A 3 140.135 -2.092 4.235 1.00 0.00 C ATOM 30 C ASP A 3 141.159 -1.109 4.809 1.00 0.00 C ATOM 31 O ASP A 3 141.025 -0.655 5.948 1.00 0.00 O ATOM 32 CB ASP A 3 138.903 -1.324 3.738 1.00 0.00 C ATOM 33 CG ASP A 3 138.120 -0.677 4.867 1.00 0.00 C ATOM 34 OD1 ASP A 3 137.292 -1.375 5.491 1.00 0.00 O ATOM 35 OD2 ASP A 3 138.334 0.526 5.126 1.00 0.00 O ATOM 0 H ASP A 3 140.070 -2.890 6.176 1.00 0.00 H new ATOM 0 HA ASP A 3 140.594 -2.618 3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 3 139.219 -0.555 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 3 138.250 -2.006 3.193 1.00 0.00 H new ATOM 40 N VAL A 4 142.181 -0.787 4.011 1.00 0.00 N ATOM 41 CA VAL A 4 143.235 0.141 4.431 1.00 0.00 C ATOM 42 C VAL A 4 143.622 1.092 3.295 1.00 0.00 C ATOM 43 O VAL A 4 143.690 0.689 2.131 1.00 0.00 O ATOM 44 CB VAL A 4 144.502 -0.613 4.900 1.00 0.00 C ATOM 45 CG1 VAL A 4 145.506 0.349 5.523 1.00 0.00 C ATOM 46 CG2 VAL A 4 144.141 -1.725 5.875 1.00 0.00 C ATOM 0 H VAL A 4 142.301 -1.156 3.068 1.00 0.00 H new ATOM 0 HA VAL A 4 142.830 0.715 5.264 1.00 0.00 H new ATOM 0 HB VAL A 4 144.967 -1.068 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 4 146.388 -0.204 5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 4 145.796 1.099 4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 4 145.053 0.841 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 4 145.048 -2.241 6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 4 143.644 -1.298 6.746 1.00 0.00 H new ATOM 0 HG23 VAL A 4 143.472 -2.434 5.387 1.00 0.00 H new ATOM 56 N ARG A 5 143.883 2.355 3.644 1.00 0.00 N ATOM 57 CA ARG A 5 144.271 3.366 2.661 1.00 0.00 C ATOM 58 C ARG A 5 145.793 3.492 2.579 1.00 0.00 C ATOM 59 O ARG A 5 146.424 4.063 3.472 1.00 0.00 O ATOM 60 CB ARG A 5 143.655 4.725 3.018 1.00 0.00 C ATOM 61 CG ARG A 5 142.359 5.026 2.281 1.00 0.00 C ATOM 62 CD ARG A 5 142.160 6.524 2.091 1.00 0.00 C ATOM 63 NE ARG A 5 141.100 6.822 1.126 1.00 0.00 N ATOM 64 CZ ARG A 5 140.507 8.016 1.009 1.00 0.00 C ATOM 65 NH1 ARG A 5 140.871 9.033 1.787 1.00 0.00 N ATOM 66 NH2 ARG A 5 139.547 8.194 0.106 1.00 0.00 N ATOM 0 H ARG A 5 143.832 2.700 4.602 1.00 0.00 H new ATOM 0 HA ARG A 5 143.896 3.049 1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 5 143.467 4.757 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 5 144.378 5.510 2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 5 142.369 4.533 1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 5 141.518 4.614 2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 5 141.915 6.981 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 5 143.094 6.973 1.753 1.00 0.00 H new ATOM 0 HE ARG A 5 140.795 6.073 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 5 141.608 8.906 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 5 140.413 9.939 1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 5 139.264 7.421 -0.496 1.00 0.00 H new ATOM 0 HH22 ARG A 5 139.094 9.103 0.016 1.00 0.00 H new ATOM 80 N ILE A 6 146.377 2.961 1.504 1.00 0.00 N ATOM 81 CA ILE A 6 147.825 3.018 1.307 1.00 0.00 C ATOM 82 C ILE A 6 148.180 3.933 0.134 1.00 0.00 C ATOM 83 O ILE A 6 147.809 3.661 -1.010 1.00 0.00 O ATOM 84 CB ILE A 6 148.420 1.613 1.053 1.00 0.00 C ATOM 85 CG1 ILE A 6 147.949 0.620 2.121 1.00 0.00 C ATOM 86 CG2 ILE A 6 149.942 1.671 1.024 1.00 0.00 C ATOM 87 CD1 ILE A 6 147.313 -0.628 1.548 1.00 0.00 C ATOM 0 H ILE A 6 145.869 2.487 0.757 1.00 0.00 H new ATOM 0 HA ILE A 6 148.255 3.420 2.224 1.00 0.00 H new ATOM 0 HB ILE A 6 148.066 1.269 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 6 148.800 0.333 2.739 1.00 0.00 H new ATOM 0 HG13 ILE A 6 147.232 1.116 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 6 150.341 0.673 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 6 150.265 2.340 0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 6 150.310 2.042 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 6 147.004 -1.285 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 6 146.442 -0.352 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 148.034 -1.147 0.917 1.00 0.00 H new ATOM 99 N LYS A 7 148.901 5.015 0.427 1.00 0.00 N ATOM 100 CA LYS A 7 149.309 5.967 -0.602 1.00 0.00 C ATOM 101 C LYS A 7 150.727 5.664 -1.089 1.00 0.00 C ATOM 102 O LYS A 7 151.684 5.705 -0.312 1.00 0.00 O ATOM 103 CB LYS A 7 149.223 7.401 -0.068 1.00 0.00 C ATOM 104 CG LYS A 7 147.879 8.067 -0.328 1.00 0.00 C ATOM 105 CD LYS A 7 147.512 9.039 0.784 1.00 0.00 C ATOM 106 CE LYS A 7 146.667 10.196 0.265 1.00 0.00 C ATOM 107 NZ LYS A 7 147.492 11.399 -0.040 1.00 0.00 N ATOM 0 H LYS A 7 149.214 5.253 1.368 1.00 0.00 H new ATOM 0 HA LYS A 7 148.628 5.869 -1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 7 149.414 7.393 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 7 150.010 7.999 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 7 147.913 8.598 -1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 7 147.105 7.304 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 7 146.965 8.510 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 7 148.421 9.429 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 7 146.137 9.883 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 7 145.911 10.454 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 146.878 12.162 -0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 147.978 11.715 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 148.197 11.161 -0.767 1.00 0.00 H new ATOM 121 N PHE A 8 150.847 5.350 -2.381 1.00 0.00 N ATOM 122 CA PHE A 8 152.141 5.026 -2.989 1.00 0.00 C ATOM 123 C PHE A 8 152.744 6.250 -3.681 1.00 0.00 C ATOM 124 O PHE A 8 152.076 6.907 -4.480 1.00 0.00 O ATOM 125 CB PHE A 8 151.975 3.883 -4.000 1.00 0.00 C ATOM 126 CG PHE A 8 151.637 2.556 -3.372 1.00 0.00 C ATOM 127 CD1 PHE A 8 150.374 2.321 -2.846 1.00 0.00 C ATOM 128 CD2 PHE A 8 152.582 1.543 -3.307 1.00 0.00 C ATOM 129 CE1 PHE A 8 150.063 1.104 -2.270 1.00 0.00 C ATOM 130 CE2 PHE A 8 152.275 0.324 -2.732 1.00 0.00 C ATOM 131 CZ PHE A 8 151.014 0.105 -2.212 1.00 0.00 C ATOM 0 H PHE A 8 150.060 5.313 -3.029 1.00 0.00 H new ATOM 0 HA PHE A 8 152.820 4.711 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 8 151.190 4.149 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 8 152.898 3.779 -4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 8 149.626 3.099 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 8 153.570 1.709 -3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 8 149.076 0.934 -1.865 1.00 0.00 H new ATOM 0 HE2 PHE A 8 153.020 -0.456 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 8 150.773 -0.846 -1.761 1.00 0.00 H new ATOM 141 N GLU A 9 154.008 6.554 -3.370 1.00 0.00 N ATOM 142 CA GLU A 9 154.688 7.706 -3.965 1.00 0.00 C ATOM 143 C GLU A 9 155.923 7.283 -4.765 1.00 0.00 C ATOM 144 O GLU A 9 156.784 6.556 -4.263 1.00 0.00 O ATOM 145 CB GLU A 9 155.087 8.710 -2.878 1.00 0.00 C ATOM 146 CG GLU A 9 154.880 10.161 -3.286 1.00 0.00 C ATOM 147 CD GLU A 9 154.937 11.114 -2.108 1.00 0.00 C ATOM 148 OE1 GLU A 9 156.048 11.569 -1.764 1.00 0.00 O ATOM 149 OE2 GLU A 9 153.869 11.406 -1.528 1.00 0.00 O ATOM 0 H GLU A 9 154.578 6.021 -2.713 1.00 0.00 H new ATOM 0 HA GLU A 9 153.988 8.180 -4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 9 154.507 8.508 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 9 156.136 8.559 -2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 9 155.642 10.442 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 9 153.915 10.260 -3.782 1.00 0.00 H new ATOM 156 N HIS A 10 156.000 7.754 -6.012 1.00 0.00 N ATOM 157 CA HIS A 10 157.123 7.446 -6.897 1.00 0.00 C ATOM 158 C HIS A 10 157.487 8.663 -7.743 1.00 0.00 C ATOM 159 O HIS A 10 156.660 9.159 -8.510 1.00 0.00 O ATOM 160 CB HIS A 10 156.773 6.275 -7.818 1.00 0.00 C ATOM 161 CG HIS A 10 157.947 5.743 -8.586 1.00 0.00 C ATOM 162 ND1 HIS A 10 158.030 5.786 -9.963 1.00 0.00 N ATOM 163 CD2 HIS A 10 159.085 5.144 -8.162 1.00 0.00 C ATOM 164 CE1 HIS A 10 159.167 5.234 -10.351 1.00 0.00 C ATOM 165 NE2 HIS A 10 159.824 4.838 -9.278 1.00 0.00 N ATOM 0 H HIS A 10 155.291 8.355 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 10 157.976 7.173 -6.277 1.00 0.00 H new ATOM 0 HB2 HIS A 10 156.345 5.470 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 10 156.004 6.594 -8.521 1.00 0.00 H new ATOM 0 HD1 HIS A 10 157.324 6.182 -10.584 1.00 0.00 H new ATOM 0 HD2 HIS A 10 159.360 4.944 -7.137 1.00 0.00 H new ATOM 0 HE1 HIS A 10 159.501 5.126 -11.372 1.00 0.00 H new ATOM 174 N ASN A 11 158.728 9.135 -7.605 1.00 0.00 N ATOM 175 CA ASN A 11 159.202 10.294 -8.364 1.00 0.00 C ATOM 176 C ASN A 11 158.280 11.504 -8.157 1.00 0.00 C ATOM 177 O ASN A 11 158.015 12.263 -9.092 1.00 0.00 O ATOM 178 CB ASN A 11 159.297 9.941 -9.856 1.00 0.00 C ATOM 179 CG ASN A 11 160.142 10.925 -10.647 1.00 0.00 C ATOM 180 OD1 ASN A 11 160.874 11.736 -10.077 1.00 0.00 O ATOM 181 ND2 ASN A 11 160.043 10.863 -11.973 1.00 0.00 N ATOM 0 H ASN A 11 159.422 8.733 -6.975 1.00 0.00 H new ATOM 0 HA ASN A 11 160.193 10.562 -7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 11 159.719 8.942 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 11 158.294 9.909 -10.281 1.00 0.00 H new ATOM 0 HD21 ASN A 11 160.585 11.502 -12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 11 159.425 10.177 -12.407 1.00 0.00 H new ATOM 188 N GLY A 12 157.789 11.673 -6.924 1.00 0.00 N ATOM 189 CA GLY A 12 156.899 12.785 -6.612 1.00 0.00 C ATOM 190 C GLY A 12 155.434 12.505 -6.938 1.00 0.00 C ATOM 191 O GLY A 12 154.549 13.235 -6.484 1.00 0.00 O ATOM 0 H GLY A 12 157.993 11.058 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 12 156.987 13.024 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 12 157.224 13.666 -7.166 1.00 0.00 H new ATOM 195 N GLU A 13 155.172 11.453 -7.718 1.00 0.00 N ATOM 196 CA GLU A 13 153.806 11.096 -8.093 1.00 0.00 C ATOM 197 C GLU A 13 153.174 10.183 -7.042 1.00 0.00 C ATOM 198 O GLU A 13 153.689 9.100 -6.760 1.00 0.00 O ATOM 199 CB GLU A 13 153.800 10.406 -9.461 1.00 0.00 C ATOM 200 CG GLU A 13 152.767 10.964 -10.429 1.00 0.00 C ATOM 201 CD GLU A 13 152.980 10.482 -11.852 1.00 0.00 C ATOM 202 OE1 GLU A 13 152.463 9.397 -12.195 1.00 0.00 O ATOM 203 OE2 GLU A 13 153.665 11.186 -12.623 1.00 0.00 O ATOM 0 H GLU A 13 155.888 10.836 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 13 153.216 12.011 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 154.790 10.499 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 13 153.613 9.342 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 13 151.770 10.675 -10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 152.806 12.053 -10.409 1.00 0.00 H new ATOM 210 N ARG A 14 152.057 10.633 -6.466 1.00 0.00 N ATOM 211 CA ARG A 14 151.350 9.862 -5.442 1.00 0.00 C ATOM 212 C ARG A 14 150.141 9.131 -6.030 1.00 0.00 C ATOM 213 O ARG A 14 149.576 9.557 -7.040 1.00 0.00 O ATOM 214 CB ARG A 14 150.899 10.775 -4.293 1.00 0.00 C ATOM 215 CG ARG A 14 149.900 11.846 -4.710 1.00 0.00 C ATOM 216 CD ARG A 14 149.213 12.472 -3.504 1.00 0.00 C ATOM 217 NE ARG A 14 148.839 13.866 -3.746 1.00 0.00 N ATOM 218 CZ ARG A 14 148.570 14.749 -2.779 1.00 0.00 C ATOM 219 NH1 ARG A 14 148.635 14.389 -1.499 1.00 0.00 N ATOM 220 NH2 ARG A 14 148.239 15.997 -3.092 1.00 0.00 N ATOM 0 H ARG A 14 151.623 11.528 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 14 152.045 9.117 -5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 14 150.454 10.163 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 14 151.775 11.258 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 14 150.413 12.621 -5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 14 149.151 11.408 -5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 14 148.322 11.896 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 149.877 12.420 -2.641 1.00 0.00 H new ATOM 0 HE ARG A 14 148.780 14.184 -4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 14 148.892 13.434 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 14 148.428 15.069 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 14 148.190 16.282 -4.070 1.00 0.00 H new ATOM 0 HH22 ARG A 14 148.034 16.671 -2.354 1.00 0.00 H new ATOM 234 N ARG A 15 149.746 8.031 -5.386 1.00 0.00 N ATOM 235 CA ARG A 15 148.604 7.237 -5.834 1.00 0.00 C ATOM 236 C ARG A 15 147.774 6.755 -4.644 1.00 0.00 C ATOM 237 O ARG A 15 148.324 6.370 -3.610 1.00 0.00 O ATOM 238 CB ARG A 15 149.081 6.040 -6.661 1.00 0.00 C ATOM 239 CG ARG A 15 148.921 6.232 -8.160 1.00 0.00 C ATOM 240 CD ARG A 15 149.751 5.227 -8.943 1.00 0.00 C ATOM 241 NE ARG A 15 149.565 5.369 -10.387 1.00 0.00 N ATOM 242 CZ ARG A 15 148.508 4.898 -11.056 1.00 0.00 C ATOM 243 NH1 ARG A 15 147.537 4.247 -10.416 1.00 0.00 N ATOM 244 NH2 ARG A 15 148.420 5.080 -12.370 1.00 0.00 N ATOM 0 H ARG A 15 150.204 7.670 -4.549 1.00 0.00 H new ATOM 0 HA ARG A 15 147.974 7.871 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 15 150.131 5.850 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 15 148.525 5.154 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 147.870 6.127 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 15 149.221 7.244 -8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 15 150.805 5.359 -8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 15 149.477 4.216 -8.640 1.00 0.00 H new ATOM 0 HE ARG A 15 150.287 5.858 -10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 15 147.597 4.105 -9.408 1.00 0.00 H new ATOM 0 HH12 ARG A 15 146.734 3.891 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 15 149.159 5.579 -12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 15 147.614 4.721 -12.882 1.00 0.00 H new ATOM 258 N ILE A 16 146.449 6.784 -4.796 1.00 0.00 N ATOM 259 CA ILE A 16 145.541 6.355 -3.734 1.00 0.00 C ATOM 260 C ILE A 16 144.866 5.028 -4.085 1.00 0.00 C ATOM 261 O ILE A 16 144.087 4.952 -5.037 1.00 0.00 O ATOM 262 CB ILE A 16 144.448 7.416 -3.462 1.00 0.00 C ATOM 263 CG1 ILE A 16 145.071 8.806 -3.298 1.00 0.00 C ATOM 264 CG2 ILE A 16 143.637 7.045 -2.227 1.00 0.00 C ATOM 265 CD1 ILE A 16 144.061 9.931 -3.370 1.00 0.00 C ATOM 0 H ILE A 16 145.982 7.101 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 16 146.146 6.227 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 16 143.776 7.441 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 16 145.588 8.853 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 16 145.823 8.953 -4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 16 142.873 7.803 -2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 16 143.159 6.078 -2.383 1.00 0.00 H new ATOM 0 HG23 ILE A 16 144.297 6.988 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 16 144.571 10.886 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 16 143.561 9.909 -4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 16 143.323 9.808 -2.577 1.00 0.00 H new ATOM 277 N ILE A 17 145.168 3.984 -3.309 1.00 0.00 N ATOM 278 CA ILE A 17 144.587 2.661 -3.538 1.00 0.00 C ATOM 279 C ILE A 17 144.225 1.979 -2.218 1.00 0.00 C ATOM 280 O ILE A 17 145.003 2.005 -1.261 1.00 0.00 O ATOM 281 CB ILE A 17 145.545 1.743 -4.331 1.00 0.00 C ATOM 282 CG1 ILE A 17 146.123 2.480 -5.544 1.00 0.00 C ATOM 283 CG2 ILE A 17 144.823 0.476 -4.773 1.00 0.00 C ATOM 284 CD1 ILE A 17 147.237 1.726 -6.236 1.00 0.00 C ATOM 0 H ILE A 17 145.811 4.030 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 17 143.682 2.818 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 17 146.370 1.463 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 17 145.323 2.667 -6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 17 146.498 3.452 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 17 145.511 -0.160 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 17 144.462 -0.062 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 17 143.979 0.741 -5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 17 147.597 2.307 -7.085 1.00 0.00 H new ATOM 0 HD12 ILE A 17 148.055 1.562 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 17 146.862 0.765 -6.588 1.00 0.00 H new ATOM 296 N ALA A 18 143.040 1.368 -2.176 1.00 0.00 N ATOM 297 CA ALA A 18 142.571 0.676 -0.978 1.00 0.00 C ATOM 298 C ALA A 18 142.853 -0.824 -1.057 1.00 0.00 C ATOM 299 O ALA A 18 142.588 -1.461 -2.078 1.00 0.00 O ATOM 300 CB ALA A 18 141.082 0.924 -0.773 1.00 0.00 C ATOM 0 H ALA A 18 142.388 1.339 -2.960 1.00 0.00 H new ATOM 0 HA ALA A 18 143.118 1.076 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 18 140.746 0.402 0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 18 140.904 1.993 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 18 140.529 0.554 -1.637 1.00 0.00 H new ATOM 306 N PHE A 19 143.390 -1.380 0.030 1.00 0.00 N ATOM 307 CA PHE A 19 143.709 -2.806 0.092 1.00 0.00 C ATOM 308 C PHE A 19 142.972 -3.480 1.251 1.00 0.00 C ATOM 309 O PHE A 19 143.025 -3.009 2.390 1.00 0.00 O ATOM 310 CB PHE A 19 145.220 -3.009 0.252 1.00 0.00 C ATOM 311 CG PHE A 19 145.997 -2.858 -1.030 1.00 0.00 C ATOM 312 CD1 PHE A 19 146.118 -1.620 -1.644 1.00 0.00 C ATOM 313 CD2 PHE A 19 146.608 -3.954 -1.620 1.00 0.00 C ATOM 314 CE1 PHE A 19 146.832 -1.480 -2.819 1.00 0.00 C ATOM 315 CE2 PHE A 19 147.323 -3.820 -2.795 1.00 0.00 C ATOM 316 CZ PHE A 19 147.435 -2.581 -3.395 1.00 0.00 C ATOM 0 H PHE A 19 143.613 -0.863 0.880 1.00 0.00 H new ATOM 0 HA PHE A 19 143.383 -3.264 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 19 145.598 -2.292 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 19 145.402 -4.003 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 19 145.649 -0.755 -1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 19 146.524 -4.925 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 19 146.918 -0.510 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 19 147.793 -4.683 -3.243 1.00 0.00 H new ATOM 0 HZ PHE A 19 147.993 -2.473 -4.313 1.00 0.00 H new ATOM 326 N SER A 20 142.292 -4.587 0.954 1.00 0.00 N ATOM 327 CA SER A 20 141.546 -5.336 1.967 1.00 0.00 C ATOM 328 C SER A 20 142.478 -6.249 2.766 1.00 0.00 C ATOM 329 O SER A 20 143.562 -6.605 2.301 1.00 0.00 O ATOM 330 CB SER A 20 140.442 -6.170 1.307 1.00 0.00 C ATOM 331 OG SER A 20 140.784 -6.515 -0.027 1.00 0.00 O ATOM 0 H SER A 20 142.242 -4.987 0.017 1.00 0.00 H new ATOM 0 HA SER A 20 141.092 -4.619 2.651 1.00 0.00 H new ATOM 0 HB2 SER A 20 140.272 -7.077 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 20 139.507 -5.609 1.312 1.00 0.00 H new ATOM 0 HG SER A 20 140.063 -7.048 -0.422 1.00 0.00 H new ATOM 337 N ARG A 21 142.047 -6.624 3.970 1.00 0.00 N ATOM 338 CA ARG A 21 142.842 -7.495 4.835 1.00 0.00 C ATOM 339 C ARG A 21 142.213 -8.883 4.946 1.00 0.00 C ATOM 340 O ARG A 21 141.000 -9.038 4.782 1.00 0.00 O ATOM 341 CB ARG A 21 142.986 -6.876 6.228 1.00 0.00 C ATOM 342 CG ARG A 21 143.360 -5.401 6.205 1.00 0.00 C ATOM 343 CD ARG A 21 143.954 -4.954 7.531 1.00 0.00 C ATOM 344 NE ARG A 21 143.008 -4.160 8.312 1.00 0.00 N ATOM 345 CZ ARG A 21 142.114 -4.678 9.160 1.00 0.00 C ATOM 346 NH1 ARG A 21 142.041 -5.996 9.349 1.00 0.00 N ATOM 347 NH2 ARG A 21 141.284 -3.875 9.817 1.00 0.00 N ATOM 0 H ARG A 21 141.152 -6.339 4.368 1.00 0.00 H new ATOM 0 HA ARG A 21 143.830 -7.600 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 21 142.047 -6.995 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 21 143.745 -7.426 6.784 1.00 0.00 H new ATOM 0 HG2 ARG A 21 144.077 -5.219 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 21 142.476 -4.804 5.982 1.00 0.00 H new ATOM 0 HD2 ARG A 21 144.256 -5.829 8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 21 144.854 -4.368 7.346 1.00 0.00 H new ATOM 0 HE ARG A 21 143.031 -3.146 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 21 142.671 -6.619 8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 21 141.355 -6.381 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 21 141.330 -2.866 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 21 140.601 -4.267 10.465 1.00 0.00 H new ATOM 361 N PRO A 22 143.033 -9.917 5.227 1.00 0.00 N ATOM 362 CA PRO A 22 144.481 -9.764 5.428 1.00 0.00 C ATOM 363 C PRO A 22 145.242 -9.560 4.117 1.00 0.00 C ATOM 364 O PRO A 22 145.046 -10.303 3.153 1.00 0.00 O ATOM 365 CB PRO A 22 144.884 -11.089 6.073 1.00 0.00 C ATOM 366 CG PRO A 22 143.893 -12.076 5.559 1.00 0.00 C ATOM 367 CD PRO A 22 142.602 -11.321 5.372 1.00 0.00 C ATOM 0 HA PRO A 22 144.716 -8.885 6.028 1.00 0.00 H new ATOM 0 HB2 PRO A 22 145.901 -11.370 5.799 1.00 0.00 H new ATOM 0 HB3 PRO A 22 144.853 -11.026 7.161 1.00 0.00 H new ATOM 0 HG2 PRO A 22 144.229 -12.510 4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 22 143.764 -12.899 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 22 142.061 -11.666 4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 22 141.936 -11.449 6.226 1.00 0.00 H new ATOM 375 N VAL A 23 146.116 -8.554 4.094 1.00 0.00 N ATOM 376 CA VAL A 23 146.913 -8.257 2.907 1.00 0.00 C ATOM 377 C VAL A 23 148.365 -8.701 3.100 1.00 0.00 C ATOM 378 O VAL A 23 149.022 -8.317 4.071 1.00 0.00 O ATOM 379 CB VAL A 23 146.864 -6.752 2.547 1.00 0.00 C ATOM 380 CG1 VAL A 23 147.471 -5.898 3.653 1.00 0.00 C ATOM 381 CG2 VAL A 23 147.566 -6.496 1.220 1.00 0.00 C ATOM 0 H VAL A 23 146.289 -7.932 4.884 1.00 0.00 H new ATOM 0 HA VAL A 23 146.478 -8.818 2.080 1.00 0.00 H new ATOM 0 HB VAL A 23 145.817 -6.466 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 23 147.421 -4.847 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 23 146.915 -6.051 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 23 148.512 -6.184 3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 23 147.521 -5.433 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 23 148.608 -6.808 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 23 147.072 -7.064 0.432 1.00 0.00 H new ATOM 391 N LYS A 24 148.857 -9.514 2.168 1.00 0.00 N ATOM 392 CA LYS A 24 150.227 -10.015 2.228 1.00 0.00 C ATOM 393 C LYS A 24 151.190 -9.035 1.564 1.00 0.00 C ATOM 394 O LYS A 24 150.898 -8.496 0.494 1.00 0.00 O ATOM 395 CB LYS A 24 150.325 -11.382 1.543 1.00 0.00 C ATOM 396 CG LYS A 24 150.080 -12.560 2.475 1.00 0.00 C ATOM 397 CD LYS A 24 149.050 -13.519 1.898 1.00 0.00 C ATOM 398 CE LYS A 24 149.560 -14.952 1.892 1.00 0.00 C ATOM 399 NZ LYS A 24 148.645 -15.865 1.152 1.00 0.00 N ATOM 0 H LYS A 24 148.326 -9.840 1.361 1.00 0.00 H new ATOM 0 HA LYS A 24 150.503 -10.121 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 24 149.603 -11.421 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 24 151.315 -11.484 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 24 151.017 -13.090 2.648 1.00 0.00 H new ATOM 0 HG3 LYS A 24 149.737 -12.195 3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 24 148.131 -13.462 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 24 148.800 -13.217 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 24 150.550 -14.983 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 24 149.670 -15.302 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 149.029 -16.831 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 147.707 -15.856 1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 148.560 -15.546 0.166 1.00 0.00 H new ATOM 413 N TYR A 25 152.344 -8.817 2.199 1.00 0.00 N ATOM 414 CA TYR A 25 153.363 -7.910 1.667 1.00 0.00 C ATOM 415 C TYR A 25 153.762 -8.316 0.247 1.00 0.00 C ATOM 416 O TYR A 25 153.980 -7.460 -0.612 1.00 0.00 O ATOM 417 CB TYR A 25 154.600 -7.904 2.574 1.00 0.00 C ATOM 418 CG TYR A 25 155.679 -6.934 2.136 1.00 0.00 C ATOM 419 CD1 TYR A 25 155.680 -5.619 2.585 1.00 0.00 C ATOM 420 CD2 TYR A 25 156.694 -7.334 1.274 1.00 0.00 C ATOM 421 CE1 TYR A 25 156.660 -4.731 2.188 1.00 0.00 C ATOM 422 CE2 TYR A 25 157.679 -6.451 0.873 1.00 0.00 C ATOM 423 CZ TYR A 25 157.657 -5.151 1.332 1.00 0.00 C ATOM 424 OH TYR A 25 158.634 -4.268 0.934 1.00 0.00 O ATOM 0 H TYR A 25 152.596 -9.257 3.084 1.00 0.00 H new ATOM 0 HA TYR A 25 152.940 -6.906 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 25 154.292 -7.655 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 25 155.020 -8.909 2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 25 154.902 -5.286 3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 25 156.713 -8.351 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 25 156.646 -3.712 2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 25 158.461 -6.778 0.204 1.00 0.00 H new ATOM 0 HH TYR A 25 159.232 -4.080 1.687 1.00 0.00 H new ATOM 434 N GLU A 26 153.851 -9.628 0.010 1.00 0.00 N ATOM 435 CA GLU A 26 154.218 -10.155 -1.305 1.00 0.00 C ATOM 436 C GLU A 26 153.221 -9.713 -2.374 1.00 0.00 C ATOM 437 O GLU A 26 153.615 -9.326 -3.473 1.00 0.00 O ATOM 438 CB GLU A 26 154.286 -11.684 -1.270 1.00 0.00 C ATOM 439 CG GLU A 26 155.379 -12.265 -2.155 1.00 0.00 C ATOM 440 CD GLU A 26 155.073 -13.676 -2.623 1.00 0.00 C ATOM 441 OE1 GLU A 26 153.979 -13.896 -3.186 1.00 0.00 O ATOM 442 OE2 GLU A 26 155.931 -14.562 -2.428 1.00 0.00 O ATOM 0 H GLU A 26 153.673 -10.345 0.714 1.00 0.00 H new ATOM 0 HA GLU A 26 155.200 -9.756 -1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 26 154.451 -12.009 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 26 153.324 -12.090 -1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 26 155.516 -11.621 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 26 156.321 -12.266 -1.607 1.00 0.00 H new ATOM 449 N ASP A 27 151.928 -9.781 -2.047 1.00 0.00 N ATOM 450 CA ASP A 27 150.878 -9.390 -2.988 1.00 0.00 C ATOM 451 C ASP A 27 150.986 -7.912 -3.351 1.00 0.00 C ATOM 452 O ASP A 27 150.870 -7.543 -4.520 1.00 0.00 O ATOM 453 CB ASP A 27 149.490 -9.688 -2.409 1.00 0.00 C ATOM 454 CG ASP A 27 148.501 -10.143 -3.468 1.00 0.00 C ATOM 455 OD1 ASP A 27 148.846 -11.050 -4.256 1.00 0.00 O ATOM 456 OD2 ASP A 27 147.380 -9.593 -3.510 1.00 0.00 O ATOM 0 H ASP A 27 151.585 -10.102 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 27 151.014 -9.978 -3.896 1.00 0.00 H new ATOM 0 HB2 ASP A 27 149.578 -10.459 -1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 27 149.105 -8.794 -1.918 1.00 0.00 H new ATOM 461 N VAL A 28 151.219 -7.071 -2.344 1.00 0.00 N ATOM 462 CA VAL A 28 151.353 -5.634 -2.562 1.00 0.00 C ATOM 463 C VAL A 28 152.643 -5.327 -3.322 1.00 0.00 C ATOM 464 O VAL A 28 152.642 -4.544 -4.274 1.00 0.00 O ATOM 465 CB VAL A 28 151.343 -4.852 -1.229 1.00 0.00 C ATOM 466 CG1 VAL A 28 151.360 -3.350 -1.483 1.00 0.00 C ATOM 467 CG2 VAL A 28 150.133 -5.241 -0.390 1.00 0.00 C ATOM 0 H VAL A 28 151.319 -7.361 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 28 150.495 -5.315 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 28 152.244 -5.112 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 28 151.353 -2.820 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 28 152.259 -3.085 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 150.480 -3.069 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 28 150.143 -4.680 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 28 149.220 -5.013 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 28 150.169 -6.309 -0.173 1.00 0.00 H new ATOM 477 N GLU A 29 153.738 -5.961 -2.899 1.00 0.00 N ATOM 478 CA GLU A 29 155.041 -5.773 -3.535 1.00 0.00 C ATOM 479 C GLU A 29 155.016 -6.218 -4.999 1.00 0.00 C ATOM 480 O GLU A 29 155.629 -5.582 -5.858 1.00 0.00 O ATOM 481 CB GLU A 29 156.116 -6.553 -2.771 1.00 0.00 C ATOM 482 CG GLU A 29 157.489 -5.897 -2.801 1.00 0.00 C ATOM 483 CD GLU A 29 158.297 -6.256 -4.038 1.00 0.00 C ATOM 484 OE1 GLU A 29 158.127 -7.378 -4.564 1.00 0.00 O ATOM 485 OE2 GLU A 29 159.106 -5.413 -4.478 1.00 0.00 O ATOM 0 H GLU A 29 153.747 -6.612 -2.114 1.00 0.00 H new ATOM 0 HA GLU A 29 155.277 -4.709 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 29 155.801 -6.667 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 29 156.193 -7.555 -3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 29 157.369 -4.815 -2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 158.046 -6.194 -1.912 1.00 0.00 H new ATOM 492 N HIS A 30 154.303 -7.312 -5.277 1.00 0.00 N ATOM 493 CA HIS A 30 154.201 -7.842 -6.636 1.00 0.00 C ATOM 494 C HIS A 30 153.631 -6.791 -7.587 1.00 0.00 C ATOM 495 O HIS A 30 154.175 -6.566 -8.668 1.00 0.00 O ATOM 496 CB HIS A 30 153.316 -9.097 -6.655 1.00 0.00 C ATOM 497 CG HIS A 30 153.752 -10.149 -7.634 1.00 0.00 C ATOM 498 ND1 HIS A 30 154.678 -9.924 -8.635 1.00 0.00 N ATOM 499 CD2 HIS A 30 153.379 -11.446 -7.760 1.00 0.00 C ATOM 500 CE1 HIS A 30 154.852 -11.035 -9.330 1.00 0.00 C ATOM 501 NE2 HIS A 30 154.076 -11.973 -8.819 1.00 0.00 N ATOM 0 H HIS A 30 153.788 -7.847 -4.578 1.00 0.00 H new ATOM 0 HA HIS A 30 155.203 -8.108 -6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 30 153.302 -9.532 -5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 30 152.293 -8.802 -6.889 1.00 0.00 H new ATOM 0 HD2 HIS A 30 152.665 -11.969 -7.141 1.00 0.00 H new ATOM 0 HE1 HIS A 30 155.516 -11.155 -10.173 1.00 0.00 H new ATOM 0 HE2 HIS A 30 154.006 -12.933 -9.156 1.00 0.00 H new ATOM 510 N LYS A 31 152.541 -6.143 -7.174 1.00 0.00 N ATOM 511 CA LYS A 31 151.911 -5.110 -7.992 1.00 0.00 C ATOM 512 C LYS A 31 152.871 -3.950 -8.238 1.00 0.00 C ATOM 513 O LYS A 31 153.014 -3.486 -9.368 1.00 0.00 O ATOM 514 CB LYS A 31 150.632 -4.594 -7.328 1.00 0.00 C ATOM 515 CG LYS A 31 149.367 -5.239 -7.870 1.00 0.00 C ATOM 516 CD LYS A 31 148.186 -5.041 -6.930 1.00 0.00 C ATOM 517 CE LYS A 31 147.809 -3.571 -6.796 1.00 0.00 C ATOM 518 NZ LYS A 31 147.559 -2.932 -8.120 1.00 0.00 N ATOM 0 H LYS A 31 152.079 -6.315 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 31 151.652 -5.559 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 31 150.691 -4.774 -6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 31 150.569 -3.515 -7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 31 149.131 -4.814 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 31 149.538 -6.305 -8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 31 147.329 -5.604 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 31 148.432 -5.444 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 31 146.917 -3.481 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 31 148.609 -3.038 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 147.067 -2.026 -7.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 148.466 -2.764 -8.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 146.969 -3.560 -8.703 1.00 0.00 H new ATOM 532 N VAL A 32 153.530 -3.491 -7.175 1.00 0.00 N ATOM 533 CA VAL A 32 154.481 -2.386 -7.279 1.00 0.00 C ATOM 534 C VAL A 32 155.586 -2.710 -8.283 1.00 0.00 C ATOM 535 O VAL A 32 155.903 -1.897 -9.154 1.00 0.00 O ATOM 536 CB VAL A 32 155.119 -2.054 -5.912 1.00 0.00 C ATOM 537 CG1 VAL A 32 156.053 -0.857 -6.028 1.00 0.00 C ATOM 538 CG2 VAL A 32 154.044 -1.798 -4.865 1.00 0.00 C ATOM 0 H VAL A 32 153.423 -3.867 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 32 153.921 -1.517 -7.624 1.00 0.00 H new ATOM 0 HB VAL A 32 155.708 -2.914 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 32 156.491 -0.641 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 32 156.847 -1.082 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 32 155.491 0.011 -6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 32 154.515 -1.566 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 32 153.424 -0.958 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 32 153.422 -2.687 -4.757 1.00 0.00 H new ATOM 548 N THR A 33 156.164 -3.904 -8.155 1.00 0.00 N ATOM 549 CA THR A 33 157.234 -4.342 -9.048 1.00 0.00 C ATOM 550 C THR A 33 156.749 -4.433 -10.497 1.00 0.00 C ATOM 551 O THR A 33 157.481 -4.078 -11.418 1.00 0.00 O ATOM 552 CB THR A 33 157.792 -5.692 -8.589 1.00 0.00 C ATOM 553 OG1 THR A 33 158.243 -5.612 -7.249 1.00 0.00 O ATOM 554 CG2 THR A 33 158.952 -6.186 -9.430 1.00 0.00 C ATOM 0 H THR A 33 155.908 -4.585 -7.440 1.00 0.00 H new ATOM 0 HA THR A 33 158.029 -3.598 -9.007 1.00 0.00 H new ATOM 0 HB THR A 33 156.966 -6.395 -8.694 1.00 0.00 H new ATOM 0 HG1 THR A 33 157.472 -5.607 -6.644 1.00 0.00 H new ATOM 0 HG21 THR A 33 159.296 -7.147 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 158.628 -6.303 -10.464 1.00 0.00 H new ATOM 0 HG23 THR A 33 159.768 -5.464 -9.384 1.00 0.00 H new ATOM 562 N THR A 34 155.517 -4.914 -10.696 1.00 0.00 N ATOM 563 CA THR A 34 154.953 -5.043 -12.042 1.00 0.00 C ATOM 564 C THR A 34 154.610 -3.677 -12.643 1.00 0.00 C ATOM 565 O THR A 34 154.925 -3.410 -13.804 1.00 0.00 O ATOM 566 CB THR A 34 153.709 -5.939 -12.036 1.00 0.00 C ATOM 567 OG1 THR A 34 153.987 -7.183 -11.417 1.00 0.00 O ATOM 568 CG2 THR A 34 153.178 -6.231 -13.426 1.00 0.00 C ATOM 0 H THR A 34 154.896 -5.218 -9.947 1.00 0.00 H new ATOM 0 HA THR A 34 155.717 -5.508 -12.665 1.00 0.00 H new ATOM 0 HB THR A 34 152.955 -5.381 -11.481 1.00 0.00 H new ATOM 0 HG1 THR A 34 154.086 -7.053 -10.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 152.298 -6.870 -13.352 1.00 0.00 H new ATOM 0 HG22 THR A 34 152.908 -5.296 -13.916 1.00 0.00 H new ATOM 0 HG23 THR A 34 153.946 -6.738 -14.010 1.00 0.00 H new ATOM 576 N VAL A 35 153.952 -2.820 -11.858 1.00 0.00 N ATOM 577 CA VAL A 35 153.560 -1.490 -12.332 1.00 0.00 C ATOM 578 C VAL A 35 154.780 -0.649 -12.714 1.00 0.00 C ATOM 579 O VAL A 35 154.822 -0.064 -13.797 1.00 0.00 O ATOM 580 CB VAL A 35 152.732 -0.718 -11.276 1.00 0.00 C ATOM 581 CG1 VAL A 35 152.312 0.645 -11.813 1.00 0.00 C ATOM 582 CG2 VAL A 35 151.511 -1.522 -10.844 1.00 0.00 C ATOM 0 H VAL A 35 153.680 -3.022 -10.896 1.00 0.00 H new ATOM 0 HA VAL A 35 152.941 -1.654 -13.214 1.00 0.00 H new ATOM 0 HB VAL A 35 153.363 -0.565 -10.401 1.00 0.00 H new ATOM 0 HG11 VAL A 35 151.731 1.171 -11.056 1.00 0.00 H new ATOM 0 HG12 VAL A 35 153.199 1.228 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 35 151.705 0.512 -12.708 1.00 0.00 H new ATOM 0 HG21 VAL A 35 150.947 -0.957 -10.102 1.00 0.00 H new ATOM 0 HG22 VAL A 35 150.878 -1.716 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 35 151.833 -2.469 -10.411 1.00 0.00 H new ATOM 592 N PHE A 36 155.761 -0.583 -11.815 1.00 0.00 N ATOM 593 CA PHE A 36 156.976 0.199 -12.054 1.00 0.00 C ATOM 594 C PHE A 36 158.012 -0.572 -12.878 1.00 0.00 C ATOM 595 O PHE A 36 158.893 0.035 -13.489 1.00 0.00 O ATOM 596 CB PHE A 36 157.589 0.642 -10.723 1.00 0.00 C ATOM 597 CG PHE A 36 156.701 1.565 -9.935 1.00 0.00 C ATOM 598 CD1 PHE A 36 156.443 2.851 -10.385 1.00 0.00 C ATOM 599 CD2 PHE A 36 156.121 1.147 -8.748 1.00 0.00 C ATOM 600 CE1 PHE A 36 155.626 3.700 -9.665 1.00 0.00 C ATOM 601 CE2 PHE A 36 155.303 1.992 -8.025 1.00 0.00 C ATOM 602 CZ PHE A 36 155.055 3.270 -8.484 1.00 0.00 C ATOM 0 H PHE A 36 155.739 -1.061 -10.914 1.00 0.00 H new ATOM 0 HA PHE A 36 156.686 1.075 -12.634 1.00 0.00 H new ATOM 0 HB2 PHE A 36 157.809 -0.240 -10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 36 158.539 1.141 -10.917 1.00 0.00 H new ATOM 0 HD1 PHE A 36 156.886 3.192 -11.309 1.00 0.00 H new ATOM 0 HD2 PHE A 36 156.311 0.148 -8.384 1.00 0.00 H new ATOM 0 HE1 PHE A 36 155.434 4.700 -10.026 1.00 0.00 H new ATOM 0 HE2 PHE A 36 154.858 1.653 -7.101 1.00 0.00 H new ATOM 0 HZ PHE A 36 154.415 3.933 -7.920 1.00 0.00 H new ATOM 612 N GLY A 37 157.913 -1.903 -12.889 1.00 0.00 N ATOM 613 CA GLY A 37 158.858 -2.719 -13.639 1.00 0.00 C ATOM 614 C GLY A 37 160.236 -2.767 -12.996 1.00 0.00 C ATOM 615 O GLY A 37 161.244 -2.903 -13.691 1.00 0.00 O ATOM 0 H GLY A 37 157.195 -2.430 -12.392 1.00 0.00 H new ATOM 0 HA2 GLY A 37 158.467 -3.733 -13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 37 158.948 -2.325 -14.651 1.00 0.00 H new ATOM 619 N GLN A 38 160.279 -2.658 -11.666 1.00 0.00 N ATOM 620 CA GLN A 38 161.543 -2.689 -10.930 1.00 0.00 C ATOM 621 C GLN A 38 161.301 -2.838 -9.427 1.00 0.00 C ATOM 622 O GLN A 38 160.265 -2.411 -8.915 1.00 0.00 O ATOM 623 CB GLN A 38 162.351 -1.413 -11.198 1.00 0.00 C ATOM 624 CG GLN A 38 161.533 -0.131 -11.083 1.00 0.00 C ATOM 625 CD GLN A 38 161.647 0.762 -12.308 1.00 0.00 C ATOM 626 OE1 GLN A 38 162.036 0.314 -13.387 1.00 0.00 O ATOM 627 NE2 GLN A 38 161.302 2.036 -12.147 1.00 0.00 N ATOM 0 H GLN A 38 159.453 -2.548 -11.078 1.00 0.00 H new ATOM 0 HA GLN A 38 162.109 -3.553 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 38 163.183 -1.366 -10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 38 162.781 -1.470 -12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 38 160.486 -0.388 -10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 38 161.861 0.424 -10.204 1.00 0.00 H new ATOM 0 HE21 GLN A 38 160.985 2.367 -11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 38 161.355 2.682 -12.935 1.00 0.00 H new ATOM 636 N PRO A 39 162.260 -3.444 -8.699 1.00 0.00 N ATOM 637 CA PRO A 39 162.146 -3.640 -7.250 1.00 0.00 C ATOM 638 C PRO A 39 162.381 -2.346 -6.471 1.00 0.00 C ATOM 639 O PRO A 39 163.513 -1.864 -6.375 1.00 0.00 O ATOM 640 CB PRO A 39 163.242 -4.663 -6.949 1.00 0.00 C ATOM 641 CG PRO A 39 164.270 -4.440 -8.004 1.00 0.00 C ATOM 642 CD PRO A 39 163.528 -3.983 -9.232 1.00 0.00 C ATOM 0 HA PRO A 39 161.149 -3.967 -6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 39 163.659 -4.515 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 39 162.854 -5.681 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 39 164.995 -3.690 -7.687 1.00 0.00 H new ATOM 0 HG3 PRO A 39 164.826 -5.356 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 39 164.088 -3.223 -9.777 1.00 0.00 H new ATOM 0 HD3 PRO A 39 163.353 -4.807 -9.923 1.00 0.00 H new ATOM 650 N LEU A 40 161.305 -1.785 -5.919 1.00 0.00 N ATOM 651 CA LEU A 40 161.395 -0.545 -5.152 1.00 0.00 C ATOM 652 C LEU A 40 161.266 -0.809 -3.654 1.00 0.00 C ATOM 653 O LEU A 40 160.495 -1.671 -3.226 1.00 0.00 O ATOM 654 CB LEU A 40 160.316 0.446 -5.596 1.00 0.00 C ATOM 655 CG LEU A 40 160.391 0.877 -7.063 1.00 0.00 C ATOM 656 CD1 LEU A 40 159.343 0.147 -7.889 1.00 0.00 C ATOM 657 CD2 LEU A 40 160.214 2.383 -7.185 1.00 0.00 C ATOM 0 H LEU A 40 160.363 -2.170 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 40 162.377 -0.113 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 40 159.338 -0.001 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 40 160.382 1.335 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 40 161.376 0.614 -7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 40 159.412 0.467 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 40 159.515 -0.928 -7.827 1.00 0.00 H new ATOM 0 HD13 LEU A 40 158.350 0.378 -7.503 1.00 0.00 H new ATOM 0 HD21 LEU A 40 160.270 2.672 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 159.243 2.669 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 40 161.002 2.888 -6.627 1.00 0.00 H new ATOM 669 N ASP A 41 162.025 -0.051 -2.865 1.00 0.00 N ATOM 670 CA ASP A 41 162.008 -0.182 -1.411 1.00 0.00 C ATOM 671 C ASP A 41 160.933 0.713 -0.799 1.00 0.00 C ATOM 672 O ASP A 41 160.864 1.906 -1.100 1.00 0.00 O ATOM 673 CB ASP A 41 163.379 0.182 -0.836 1.00 0.00 C ATOM 674 CG ASP A 41 163.631 -0.449 0.520 1.00 0.00 C ATOM 675 OD1 ASP A 41 163.598 -1.695 0.613 1.00 0.00 O ATOM 676 OD2 ASP A 41 163.860 0.303 1.488 1.00 0.00 O ATOM 0 H ASP A 41 162.663 0.665 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 41 161.778 -1.218 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 41 164.156 -0.137 -1.531 1.00 0.00 H new ATOM 0 HB3 ASP A 41 163.455 1.266 -0.748 1.00 0.00 H new ATOM 681 N LEU A 42 160.099 0.131 0.062 1.00 0.00 N ATOM 682 CA LEU A 42 159.028 0.879 0.718 1.00 0.00 C ATOM 683 C LEU A 42 159.537 1.560 1.987 1.00 0.00 C ATOM 684 O LEU A 42 159.717 0.912 3.021 1.00 0.00 O ATOM 685 CB LEU A 42 157.855 -0.048 1.066 1.00 0.00 C ATOM 686 CG LEU A 42 157.277 -0.849 -0.104 1.00 0.00 C ATOM 687 CD1 LEU A 42 156.272 -1.875 0.398 1.00 0.00 C ATOM 688 CD2 LEU A 42 156.630 0.077 -1.120 1.00 0.00 C ATOM 0 H LEU A 42 160.144 -0.855 0.321 1.00 0.00 H new ATOM 0 HA LEU A 42 158.683 1.644 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 42 158.183 -0.747 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 42 157.057 0.553 1.501 1.00 0.00 H new ATOM 0 HG LEU A 42 158.095 -1.377 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 42 155.871 -2.435 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 42 156.765 -2.561 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 42 155.458 -1.365 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 42 156.226 -0.512 -1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 42 155.824 0.635 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 42 157.375 0.773 -1.504 1.00 0.00 H new ATOM 700 N HIS A 43 159.770 2.871 1.904 1.00 0.00 N ATOM 701 CA HIS A 43 160.257 3.636 3.049 1.00 0.00 C ATOM 702 C HIS A 43 159.099 4.251 3.832 1.00 0.00 C ATOM 703 O HIS A 43 158.315 5.033 3.288 1.00 0.00 O ATOM 704 CB HIS A 43 161.219 4.736 2.591 1.00 0.00 C ATOM 705 CG HIS A 43 162.666 4.375 2.753 1.00 0.00 C ATOM 706 ND1 HIS A 43 163.664 4.902 1.962 1.00 0.00 N ATOM 707 CD2 HIS A 43 163.281 3.535 3.620 1.00 0.00 C ATOM 708 CE1 HIS A 43 164.829 4.401 2.333 1.00 0.00 C ATOM 709 NE2 HIS A 43 164.624 3.569 3.337 1.00 0.00 N ATOM 0 H HIS A 43 159.629 3.422 1.057 1.00 0.00 H new ATOM 0 HA HIS A 43 160.791 2.949 3.705 1.00 0.00 H new ATOM 0 HB2 HIS A 43 161.025 4.963 1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 43 161.014 5.645 3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 43 162.804 2.948 4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 43 165.786 4.633 1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 43 165.346 3.038 3.824 1.00 0.00 H new ATOM 718 N TYR A 44 159.003 3.894 5.112 1.00 0.00 N ATOM 719 CA TYR A 44 157.946 4.408 5.978 1.00 0.00 C ATOM 720 C TYR A 44 158.440 5.596 6.797 1.00 0.00 C ATOM 721 O TYR A 44 159.447 5.499 7.501 1.00 0.00 O ATOM 722 CB TYR A 44 157.442 3.307 6.914 1.00 0.00 C ATOM 723 CG TYR A 44 155.938 3.291 7.072 1.00 0.00 C ATOM 724 CD1 TYR A 44 155.112 2.973 6.001 1.00 0.00 C ATOM 725 CD2 TYR A 44 155.345 3.593 8.291 1.00 0.00 C ATOM 726 CE1 TYR A 44 153.738 2.957 6.140 1.00 0.00 C ATOM 727 CE2 TYR A 44 153.972 3.578 8.439 1.00 0.00 C ATOM 728 CZ TYR A 44 153.173 3.259 7.361 1.00 0.00 C ATOM 729 OH TYR A 44 151.805 3.243 7.507 1.00 0.00 O ATOM 0 H TYR A 44 159.646 3.250 5.572 1.00 0.00 H new ATOM 0 HA TYR A 44 157.125 4.742 5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 44 157.770 2.340 6.534 1.00 0.00 H new ATOM 0 HB3 TYR A 44 157.901 3.436 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 44 155.552 2.734 5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 44 155.968 3.844 9.137 1.00 0.00 H new ATOM 0 HE1 TYR A 44 153.110 2.709 5.297 1.00 0.00 H new ATOM 0 HE2 TYR A 44 153.526 3.815 9.394 1.00 0.00 H new ATOM 0 HH TYR A 44 151.572 3.478 8.429 1.00 0.00 H new ATOM 739 N MET A 45 157.722 6.716 6.702 1.00 0.00 N ATOM 740 CA MET A 45 158.084 7.927 7.437 1.00 0.00 C ATOM 741 C MET A 45 156.903 8.445 8.256 1.00 0.00 C ATOM 742 O MET A 45 155.888 8.872 7.702 1.00 0.00 O ATOM 743 CB MET A 45 158.579 9.016 6.477 1.00 0.00 C ATOM 744 CG MET A 45 157.671 9.252 5.278 1.00 0.00 C ATOM 745 SD MET A 45 157.538 10.997 4.841 1.00 0.00 S ATOM 746 CE MET A 45 159.255 11.410 4.533 1.00 0.00 C ATOM 0 H MET A 45 156.887 6.809 6.124 1.00 0.00 H new ATOM 0 HA MET A 45 158.892 7.671 8.123 1.00 0.00 H new ATOM 0 HB2 MET A 45 158.684 9.950 7.029 1.00 0.00 H new ATOM 0 HB3 MET A 45 159.572 8.744 6.119 1.00 0.00 H new ATOM 0 HG2 MET A 45 158.053 8.695 4.422 1.00 0.00 H new ATOM 0 HG3 MET A 45 156.678 8.859 5.496 1.00 0.00 H new ATOM 0 HE1 MET A 45 159.655 11.961 5.384 1.00 0.00 H new ATOM 0 HE2 MET A 45 159.830 10.495 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 45 159.326 12.026 3.637 1.00 0.00 H new ATOM 756 N ASN A 46 157.046 8.406 9.581 1.00 0.00 N ATOM 757 CA ASN A 46 155.994 8.873 10.484 1.00 0.00 C ATOM 758 C ASN A 46 156.123 10.376 10.737 1.00 0.00 C ATOM 759 O ASN A 46 155.174 11.132 10.529 1.00 0.00 O ATOM 760 CB ASN A 46 156.054 8.106 11.810 1.00 0.00 C ATOM 761 CG ASN A 46 154.684 7.917 12.437 1.00 0.00 C ATOM 762 OD1 ASN A 46 153.694 7.698 11.739 1.00 0.00 O ATOM 763 ND2 ASN A 46 154.620 7.998 13.762 1.00 0.00 N ATOM 0 H ASN A 46 157.880 8.056 10.053 1.00 0.00 H new ATOM 0 HA ASN A 46 155.030 8.686 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 46 156.510 7.130 11.641 1.00 0.00 H new ATOM 0 HB3 ASN A 46 156.698 8.642 12.507 1.00 0.00 H new ATOM 0 HD21 ASN A 46 153.726 7.877 14.238 1.00 0.00 H new ATOM 0 HD22 ASN A 46 155.465 8.181 14.303 1.00 0.00 H new ATOM 770 N ASN A 47 157.309 10.798 11.180 1.00 0.00 N ATOM 771 CA ASN A 47 157.581 12.209 11.456 1.00 0.00 C ATOM 772 C ASN A 47 159.082 12.487 11.393 1.00 0.00 C ATOM 773 O ASN A 47 159.551 13.209 10.512 1.00 0.00 O ATOM 774 CB ASN A 47 157.026 12.611 12.827 1.00 0.00 C ATOM 775 CG ASN A 47 155.678 13.301 12.724 1.00 0.00 C ATOM 776 OD1 ASN A 47 155.566 14.387 12.157 1.00 0.00 O ATOM 777 ND2 ASN A 47 154.643 12.672 13.273 1.00 0.00 N ATOM 0 H ASN A 47 158.100 10.178 11.356 1.00 0.00 H new ATOM 0 HA ASN A 47 157.082 12.806 10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 47 156.930 11.723 13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 47 157.734 13.275 13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 47 153.713 13.089 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 47 154.779 11.772 13.734 1.00 0.00 H new ATOM 784 N GLU A 48 159.830 11.898 12.327 1.00 0.00 N ATOM 785 CA GLU A 48 161.281 12.069 12.376 1.00 0.00 C ATOM 786 C GLU A 48 162.008 10.716 12.389 1.00 0.00 C ATOM 787 O GLU A 48 163.208 10.654 12.667 1.00 0.00 O ATOM 788 CB GLU A 48 161.672 12.887 13.611 1.00 0.00 C ATOM 789 CG GLU A 48 161.261 14.349 13.529 1.00 0.00 C ATOM 790 CD GLU A 48 162.343 15.289 14.023 1.00 0.00 C ATOM 791 OE1 GLU A 48 163.355 15.457 13.309 1.00 0.00 O ATOM 792 OE2 GLU A 48 162.179 15.858 15.122 1.00 0.00 O ATOM 0 H GLU A 48 159.453 11.298 13.060 1.00 0.00 H new ATOM 0 HA GLU A 48 161.585 12.604 11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 48 161.215 12.439 14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 48 162.752 12.829 13.748 1.00 0.00 H new ATOM 0 HG2 GLU A 48 161.015 14.596 12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 48 160.356 14.502 14.118 1.00 0.00 H new ATOM 799 N LEU A 49 161.282 9.632 12.083 1.00 0.00 N ATOM 800 CA LEU A 49 161.869 8.292 12.059 1.00 0.00 C ATOM 801 C LEU A 49 161.494 7.554 10.775 1.00 0.00 C ATOM 802 O LEU A 49 160.327 7.539 10.377 1.00 0.00 O ATOM 803 CB LEU A 49 161.411 7.486 13.280 1.00 0.00 C ATOM 804 CG LEU A 49 162.285 6.276 13.624 1.00 0.00 C ATOM 805 CD1 LEU A 49 163.451 6.692 14.510 1.00 0.00 C ATOM 806 CD2 LEU A 49 161.452 5.196 14.301 1.00 0.00 C ATOM 0 H LEU A 49 160.289 9.660 11.850 1.00 0.00 H new ATOM 0 HA LEU A 49 162.953 8.399 12.091 1.00 0.00 H new ATOM 0 HB2 LEU A 49 161.380 8.150 14.144 1.00 0.00 H new ATOM 0 HB3 LEU A 49 160.392 7.141 13.107 1.00 0.00 H new ATOM 0 HG LEU A 49 162.691 5.868 12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 49 164.060 5.819 14.744 1.00 0.00 H new ATOM 0 HD12 LEU A 49 164.060 7.430 13.988 1.00 0.00 H new ATOM 0 HD13 LEU A 49 163.069 7.126 15.434 1.00 0.00 H new ATOM 0 HD21 LEU A 49 162.087 4.343 14.539 1.00 0.00 H new ATOM 0 HD22 LEU A 49 161.018 5.593 15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 49 160.654 4.878 13.630 1.00 0.00 H new ATOM 818 N SER A 50 162.491 6.939 10.133 1.00 0.00 N ATOM 819 CA SER A 50 162.268 6.194 8.895 1.00 0.00 C ATOM 820 C SER A 50 162.443 4.694 9.121 1.00 0.00 C ATOM 821 O SER A 50 163.477 4.251 9.622 1.00 0.00 O ATOM 822 CB SER A 50 163.229 6.670 7.801 1.00 0.00 C ATOM 823 OG SER A 50 162.640 7.691 7.015 1.00 0.00 O ATOM 0 H SER A 50 163.460 6.943 10.452 1.00 0.00 H new ATOM 0 HA SER A 50 161.243 6.380 8.573 1.00 0.00 H new ATOM 0 HB2 SER A 50 164.148 7.041 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 163.505 5.830 7.164 1.00 0.00 H new ATOM 0 HG SER A 50 163.273 7.979 6.325 1.00 0.00 H new ATOM 829 N ILE A 51 161.425 3.920 8.745 1.00 0.00 N ATOM 830 CA ILE A 51 161.459 2.468 8.904 1.00 0.00 C ATOM 831 C ILE A 51 161.453 1.770 7.543 1.00 0.00 C ATOM 832 O ILE A 51 160.674 2.125 6.656 1.00 0.00 O ATOM 833 CB ILE A 51 160.266 1.964 9.748 1.00 0.00 C ATOM 834 CG1 ILE A 51 160.126 2.798 11.028 1.00 0.00 C ATOM 835 CG2 ILE A 51 160.435 0.488 10.089 1.00 0.00 C ATOM 836 CD1 ILE A 51 158.810 2.594 11.750 1.00 0.00 C ATOM 0 H ILE A 51 160.565 4.276 8.327 1.00 0.00 H new ATOM 0 HA ILE A 51 162.383 2.223 9.428 1.00 0.00 H new ATOM 0 HB ILE A 51 159.356 2.077 9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 160.943 2.548 11.704 1.00 0.00 H new ATOM 0 HG13 ILE A 51 160.232 3.853 10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 51 159.585 0.152 10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 51 160.487 -0.094 9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 51 161.354 0.349 10.659 1.00 0.00 H new ATOM 0 HD11 ILE A 51 158.785 3.217 12.644 1.00 0.00 H new ATOM 0 HD12 ILE A 51 157.987 2.872 11.092 1.00 0.00 H new ATOM 0 HD13 ILE A 51 158.710 1.547 12.034 1.00 0.00 H new ATOM 848 N LEU A 52 162.332 0.779 7.387 1.00 0.00 N ATOM 849 CA LEU A 52 162.436 0.031 6.137 1.00 0.00 C ATOM 850 C LEU A 52 161.546 -1.208 6.171 1.00 0.00 C ATOM 851 O LEU A 52 161.683 -2.061 7.050 1.00 0.00 O ATOM 852 CB LEU A 52 163.893 -0.371 5.879 1.00 0.00 C ATOM 853 CG LEU A 52 164.244 -0.638 4.412 1.00 0.00 C ATOM 854 CD1 LEU A 52 165.674 -0.207 4.114 1.00 0.00 C ATOM 855 CD2 LEU A 52 164.048 -2.108 4.069 1.00 0.00 C ATOM 0 H LEU A 52 162.982 0.477 8.113 1.00 0.00 H new ATOM 0 HA LEU A 52 162.098 0.674 5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 52 164.543 0.419 6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 52 164.114 -1.267 6.458 1.00 0.00 H new ATOM 0 HG LEU A 52 163.570 -0.049 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 52 165.903 -0.405 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 52 165.782 0.859 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 52 166.362 -0.766 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 52 164.303 -2.275 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 52 164.693 -2.718 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 52 163.007 -2.385 4.237 1.00 0.00 H new ATOM 867 N LEU A 53 160.631 -1.297 5.207 1.00 0.00 N ATOM 868 CA LEU A 53 159.710 -2.427 5.119 1.00 0.00 C ATOM 869 C LEU A 53 160.383 -3.634 4.470 1.00 0.00 C ATOM 870 O LEU A 53 160.301 -3.828 3.256 1.00 0.00 O ATOM 871 CB LEU A 53 158.460 -2.026 4.330 1.00 0.00 C ATOM 872 CG LEU A 53 157.329 -1.431 5.171 1.00 0.00 C ATOM 873 CD1 LEU A 53 156.524 -0.427 4.359 1.00 0.00 C ATOM 874 CD2 LEU A 53 156.431 -2.535 5.704 1.00 0.00 C ATOM 0 H LEU A 53 160.508 -0.598 4.475 1.00 0.00 H new ATOM 0 HA LEU A 53 159.417 -2.709 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 53 158.746 -1.301 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 158.081 -2.904 3.808 1.00 0.00 H new ATOM 0 HG LEU A 53 157.769 -0.904 6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 53 155.725 -0.017 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 53 157.177 0.380 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 53 156.092 -0.924 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 155.631 -2.097 6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 53 156.000 -3.088 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 53 157.017 -3.213 6.325 1.00 0.00 H new ATOM 886 N LYS A 54 161.050 -4.444 5.293 1.00 0.00 N ATOM 887 CA LYS A 54 161.741 -5.639 4.804 1.00 0.00 C ATOM 888 C LYS A 54 160.844 -6.877 4.890 1.00 0.00 C ATOM 889 O LYS A 54 160.954 -7.786 4.065 1.00 0.00 O ATOM 890 CB LYS A 54 163.043 -5.873 5.583 1.00 0.00 C ATOM 891 CG LYS A 54 162.860 -5.997 7.090 1.00 0.00 C ATOM 892 CD LYS A 54 163.589 -4.889 7.835 1.00 0.00 C ATOM 893 CE LYS A 54 164.109 -5.365 9.183 1.00 0.00 C ATOM 894 NZ LYS A 54 163.006 -5.587 10.162 1.00 0.00 N ATOM 0 H LYS A 54 161.127 -4.295 6.299 1.00 0.00 H new ATOM 0 HA LYS A 54 161.986 -5.470 3.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 163.517 -6.781 5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 54 163.727 -5.050 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 54 161.798 -5.962 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 54 163.231 -6.966 7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 54 164.422 -4.530 7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 54 162.915 -4.045 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 54 164.667 -6.292 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 54 164.806 -4.628 9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 163.171 -5.006 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 162.099 -5.319 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 162.978 -6.591 10.431 1.00 0.00 H new ATOM 908 N ASN A 55 159.959 -6.907 5.890 1.00 0.00 N ATOM 909 CA ASN A 55 159.047 -8.032 6.078 1.00 0.00 C ATOM 910 C ASN A 55 157.676 -7.549 6.557 1.00 0.00 C ATOM 911 O ASN A 55 157.459 -6.348 6.729 1.00 0.00 O ATOM 912 CB ASN A 55 159.638 -9.030 7.084 1.00 0.00 C ATOM 913 CG ASN A 55 159.590 -10.463 6.578 1.00 0.00 C ATOM 914 OD1 ASN A 55 158.704 -10.832 5.807 1.00 0.00 O ATOM 915 ND2 ASN A 55 160.543 -11.281 7.014 1.00 0.00 N ATOM 0 H ASN A 55 159.857 -6.163 6.581 1.00 0.00 H new ATOM 0 HA ASN A 55 158.917 -8.531 5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 55 160.672 -8.758 7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 55 159.090 -8.961 8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 55 160.558 -12.254 6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 55 161.259 -10.935 7.653 1.00 0.00 H new ATOM 922 N GLN A 56 156.756 -8.494 6.772 1.00 0.00 N ATOM 923 CA GLN A 56 155.406 -8.163 7.235 1.00 0.00 C ATOM 924 C GLN A 56 155.442 -7.506 8.616 1.00 0.00 C ATOM 925 O GLN A 56 154.593 -6.673 8.928 1.00 0.00 O ATOM 926 CB GLN A 56 154.522 -9.413 7.283 1.00 0.00 C ATOM 927 CG GLN A 56 153.788 -9.697 5.980 1.00 0.00 C ATOM 928 CD GLN A 56 152.642 -8.733 5.730 1.00 0.00 C ATOM 929 OE1 GLN A 56 152.856 -7.587 5.334 1.00 0.00 O ATOM 930 NE2 GLN A 56 151.415 -9.191 5.957 1.00 0.00 N ATOM 0 H GLN A 56 156.921 -9.491 6.633 1.00 0.00 H new ATOM 0 HA GLN A 56 154.982 -7.456 6.522 1.00 0.00 H new ATOM 0 HB2 GLN A 56 155.140 -10.274 7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 56 153.791 -9.299 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 56 154.493 -9.639 5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 56 153.402 -10.716 6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 56 151.280 -10.147 6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 56 150.608 -8.586 5.803 1.00 0.00 H new ATOM 939 N ASP A 57 156.429 -7.886 9.436 1.00 0.00 N ATOM 940 CA ASP A 57 156.572 -7.327 10.782 1.00 0.00 C ATOM 941 C ASP A 57 156.602 -5.799 10.743 1.00 0.00 C ATOM 942 O ASP A 57 155.959 -5.139 11.558 1.00 0.00 O ATOM 943 CB ASP A 57 157.848 -7.850 11.451 1.00 0.00 C ATOM 944 CG ASP A 57 157.590 -9.053 12.338 1.00 0.00 C ATOM 945 OD1 ASP A 57 157.410 -10.163 11.796 1.00 0.00 O ATOM 946 OD2 ASP A 57 157.575 -8.884 13.577 1.00 0.00 O ATOM 0 H ASP A 57 157.138 -8.577 9.190 1.00 0.00 H new ATOM 0 HA ASP A 57 155.707 -7.644 11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 57 158.573 -8.119 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 57 158.295 -7.053 12.046 1.00 0.00 H new ATOM 951 N ASP A 58 157.353 -5.246 9.790 1.00 0.00 N ATOM 952 CA ASP A 58 157.466 -3.795 9.643 1.00 0.00 C ATOM 953 C ASP A 58 156.131 -3.176 9.226 1.00 0.00 C ATOM 954 O ASP A 58 155.754 -2.109 9.715 1.00 0.00 O ATOM 955 CB ASP A 58 158.549 -3.449 8.618 1.00 0.00 C ATOM 956 CG ASP A 58 159.947 -3.716 9.140 1.00 0.00 C ATOM 957 OD1 ASP A 58 160.512 -2.830 9.815 1.00 0.00 O ATOM 958 OD2 ASP A 58 160.478 -4.815 8.874 1.00 0.00 O ATOM 0 H ASP A 58 157.892 -5.781 9.109 1.00 0.00 H new ATOM 0 HA ASP A 58 157.745 -3.380 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 58 158.386 -4.031 7.711 1.00 0.00 H new ATOM 0 HB3 ASP A 58 158.462 -2.398 8.342 1.00 0.00 H new ATOM 963 N LEU A 59 155.416 -3.853 8.327 1.00 0.00 N ATOM 964 CA LEU A 59 154.120 -3.369 7.855 1.00 0.00 C ATOM 965 C LEU A 59 153.074 -3.452 8.965 1.00 0.00 C ATOM 966 O LEU A 59 152.264 -2.541 9.135 1.00 0.00 O ATOM 967 CB LEU A 59 153.658 -4.178 6.639 1.00 0.00 C ATOM 968 CG LEU A 59 152.428 -3.619 5.917 1.00 0.00 C ATOM 969 CD1 LEU A 59 152.841 -2.610 4.856 1.00 0.00 C ATOM 970 CD2 LEU A 59 151.613 -4.746 5.298 1.00 0.00 C ATOM 0 H LEU A 59 155.712 -4.736 7.912 1.00 0.00 H new ATOM 0 HA LEU A 59 154.234 -2.325 7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 154.482 -4.238 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 59 153.440 -5.196 6.961 1.00 0.00 H new ATOM 0 HG LEU A 59 151.804 -3.107 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 59 151.953 -2.225 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 59 153.378 -1.786 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 59 153.488 -3.095 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 150.743 -4.329 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 59 152.228 -5.288 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 59 151.283 -5.429 6.081 1.00 0.00 H new ATOM 982 N ASP A 60 153.103 -4.554 9.716 1.00 0.00 N ATOM 983 CA ASP A 60 152.161 -4.771 10.814 1.00 0.00 C ATOM 984 C ASP A 60 152.376 -3.760 11.939 1.00 0.00 C ATOM 985 O ASP A 60 151.414 -3.255 12.517 1.00 0.00 O ATOM 986 CB ASP A 60 152.298 -6.191 11.367 1.00 0.00 C ATOM 987 CG ASP A 60 151.119 -6.592 12.235 1.00 0.00 C ATOM 988 OD1 ASP A 60 149.963 -6.432 11.785 1.00 0.00 O ATOM 989 OD2 ASP A 60 151.351 -7.067 13.366 1.00 0.00 O ATOM 0 H ASP A 60 153.772 -5.313 9.583 1.00 0.00 H new ATOM 0 HA ASP A 60 151.156 -4.635 10.415 1.00 0.00 H new ATOM 0 HB2 ASP A 60 152.391 -6.893 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 60 153.216 -6.264 11.950 1.00 0.00 H new ATOM 994 N LYS A 61 153.642 -3.466 12.239 1.00 0.00 N ATOM 995 CA LYS A 61 153.981 -2.509 13.291 1.00 0.00 C ATOM 996 C LYS A 61 153.448 -1.121 12.940 1.00 0.00 C ATOM 997 O LYS A 61 152.994 -0.381 13.814 1.00 0.00 O ATOM 998 CB LYS A 61 155.501 -2.449 13.490 1.00 0.00 C ATOM 999 CG LYS A 61 155.951 -2.742 14.914 1.00 0.00 C ATOM 1000 CD LYS A 61 156.403 -4.186 15.072 1.00 0.00 C ATOM 1001 CE LYS A 61 157.528 -4.312 16.089 1.00 0.00 C ATOM 1002 NZ LYS A 61 157.757 -5.727 16.499 1.00 0.00 N ATOM 0 H LYS A 61 154.448 -3.877 11.768 1.00 0.00 H new ATOM 0 HA LYS A 61 153.517 -2.841 14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 61 155.974 -3.164 12.816 1.00 0.00 H new ATOM 0 HB3 LYS A 61 155.856 -1.459 13.204 1.00 0.00 H new ATOM 0 HG2 LYS A 61 156.768 -2.073 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 61 155.132 -2.539 15.604 1.00 0.00 H new ATOM 0 HD2 LYS A 61 155.559 -4.800 15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 61 156.738 -4.571 14.109 1.00 0.00 H new ATOM 0 HE2 LYS A 61 158.446 -3.904 15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 61 157.290 -3.714 16.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 158.531 -5.767 17.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 156.890 -6.109 16.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 158.010 -6.294 15.664 1.00 0.00 H new ATOM 1016 N ALA A 62 153.500 -0.781 11.650 1.00 0.00 N ATOM 1017 CA ALA A 62 153.017 0.513 11.173 1.00 0.00 C ATOM 1018 C ALA A 62 151.517 0.671 11.417 1.00 0.00 C ATOM 1019 O ALA A 62 151.050 1.757 11.763 1.00 0.00 O ATOM 1020 CB ALA A 62 153.330 0.683 9.693 1.00 0.00 C ATOM 0 H ALA A 62 153.872 -1.386 10.918 1.00 0.00 H new ATOM 0 HA ALA A 62 153.533 1.290 11.736 1.00 0.00 H new ATOM 0 HB1 ALA A 62 152.964 1.652 9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 154.408 0.628 9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 62 152.843 -0.109 9.125 1.00 0.00 H new ATOM 1026 N ILE A 63 150.765 -0.418 11.235 1.00 0.00 N ATOM 1027 CA ILE A 63 149.316 -0.392 11.438 1.00 0.00 C ATOM 1028 C ILE A 63 148.972 -0.067 12.892 1.00 0.00 C ATOM 1029 O ILE A 63 148.060 0.717 13.158 1.00 0.00 O ATOM 1030 CB ILE A 63 148.651 -1.734 11.047 1.00 0.00 C ATOM 1031 CG1 ILE A 63 149.026 -2.123 9.612 1.00 0.00 C ATOM 1032 CG2 ILE A 63 147.137 -1.638 11.192 1.00 0.00 C ATOM 1033 CD1 ILE A 63 148.690 -3.557 9.262 1.00 0.00 C ATOM 0 H ILE A 63 151.135 -1.325 10.949 1.00 0.00 H new ATOM 0 HA ILE A 63 148.926 0.390 10.787 1.00 0.00 H new ATOM 0 HB ILE A 63 149.017 -2.509 11.721 1.00 0.00 H new ATOM 0 HG12 ILE A 63 148.510 -1.459 8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 63 150.095 -1.965 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 63 146.684 -2.589 10.913 1.00 0.00 H new ATOM 0 HG22 ILE A 63 146.885 -1.405 12.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 146.758 -0.851 10.540 1.00 0.00 H new ATOM 0 HD11 ILE A 63 148.984 -3.759 8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 63 149.227 -4.230 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 63 147.617 -3.716 9.371 1.00 0.00 H new ATOM 1045 N ASP A 64 149.707 -0.673 13.826 1.00 0.00 N ATOM 1046 CA ASP A 64 149.482 -0.448 15.255 1.00 0.00 C ATOM 1047 C ASP A 64 149.528 1.043 15.592 1.00 0.00 C ATOM 1048 O ASP A 64 148.668 1.551 16.313 1.00 0.00 O ATOM 1049 CB ASP A 64 150.532 -1.198 16.085 1.00 0.00 C ATOM 1050 CG ASP A 64 150.232 -2.682 16.221 1.00 0.00 C ATOM 1051 OD1 ASP A 64 149.869 -3.315 15.206 1.00 0.00 O ATOM 1052 OD2 ASP A 64 150.368 -3.212 17.344 1.00 0.00 O ATOM 0 H ASP A 64 150.464 -1.324 13.618 1.00 0.00 H new ATOM 0 HA ASP A 64 148.490 -0.828 15.500 1.00 0.00 H new ATOM 0 HB2 ASP A 64 151.511 -1.072 15.622 1.00 0.00 H new ATOM 0 HB3 ASP A 64 150.589 -0.752 17.078 1.00 0.00 H new ATOM 1057 N ILE A 65 150.532 1.738 15.059 1.00 0.00 N ATOM 1058 CA ILE A 65 150.684 3.170 15.300 1.00 0.00 C ATOM 1059 C ILE A 65 149.577 3.961 14.603 1.00 0.00 C ATOM 1060 O ILE A 65 149.024 4.902 15.175 1.00 0.00 O ATOM 1061 CB ILE A 65 152.059 3.688 14.822 1.00 0.00 C ATOM 1062 CG1 ILE A 65 153.188 2.822 15.394 1.00 0.00 C ATOM 1063 CG2 ILE A 65 152.244 5.146 15.226 1.00 0.00 C ATOM 1064 CD1 ILE A 65 154.303 2.551 14.407 1.00 0.00 C ATOM 0 H ILE A 65 151.250 1.333 14.459 1.00 0.00 H new ATOM 0 HA ILE A 65 150.613 3.318 16.377 1.00 0.00 H new ATOM 0 HB ILE A 65 152.096 3.623 13.735 1.00 0.00 H new ATOM 0 HG12 ILE A 65 153.604 3.315 16.273 1.00 0.00 H new ATOM 0 HG13 ILE A 65 152.772 1.872 15.729 1.00 0.00 H new ATOM 0 HG21 ILE A 65 153.217 5.498 14.883 1.00 0.00 H new ATOM 0 HG22 ILE A 65 151.459 5.751 14.773 1.00 0.00 H new ATOM 0 HG23 ILE A 65 152.189 5.233 16.311 1.00 0.00 H new ATOM 0 HD11 ILE A 65 155.066 1.933 14.881 1.00 0.00 H new ATOM 0 HD12 ILE A 65 153.901 2.029 13.538 1.00 0.00 H new ATOM 0 HD13 ILE A 65 154.746 3.495 14.090 1.00 0.00 H new ATOM 1076 N LEU A 66 149.258 3.571 13.367 1.00 0.00 N ATOM 1077 CA LEU A 66 148.214 4.242 12.595 1.00 0.00 C ATOM 1078 C LEU A 66 146.857 4.134 13.296 1.00 0.00 C ATOM 1079 O LEU A 66 146.123 5.119 13.387 1.00 0.00 O ATOM 1080 CB LEU A 66 148.128 3.647 11.186 1.00 0.00 C ATOM 1081 CG LEU A 66 147.452 4.540 10.141 1.00 0.00 C ATOM 1082 CD1 LEU A 66 148.305 5.767 9.847 1.00 0.00 C ATOM 1083 CD2 LEU A 66 147.184 3.753 8.866 1.00 0.00 C ATOM 0 H LEU A 66 149.708 2.795 12.881 1.00 0.00 H new ATOM 0 HA LEU A 66 148.476 5.297 12.519 1.00 0.00 H new ATOM 0 HB2 LEU A 66 149.137 3.415 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 66 147.585 2.703 11.240 1.00 0.00 H new ATOM 0 HG LEU A 66 146.498 4.880 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 66 147.806 6.387 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 66 148.444 6.341 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 66 149.276 5.452 9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 66 146.703 4.401 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 66 148.126 3.384 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 146.530 2.910 9.089 1.00 0.00 H new ATOM 1095 N ASP A 67 146.533 2.935 13.792 1.00 0.00 N ATOM 1096 CA ASP A 67 145.265 2.704 14.489 1.00 0.00 C ATOM 1097 C ASP A 67 145.161 3.574 15.743 1.00 0.00 C ATOM 1098 O ASP A 67 144.094 4.104 16.052 1.00 0.00 O ATOM 1099 CB ASP A 67 145.114 1.224 14.865 1.00 0.00 C ATOM 1100 CG ASP A 67 144.492 0.390 13.757 1.00 0.00 C ATOM 1101 OD1 ASP A 67 143.487 0.837 13.162 1.00 0.00 O ATOM 1102 OD2 ASP A 67 145.008 -0.716 13.489 1.00 0.00 O ATOM 0 H ASP A 67 147.131 2.111 13.723 1.00 0.00 H new ATOM 0 HA ASP A 67 144.458 2.979 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 67 146.094 0.816 15.113 1.00 0.00 H new ATOM 0 HB3 ASP A 67 144.499 1.144 15.762 1.00 0.00 H new ATOM 1107 N ARG A 68 146.279 3.722 16.458 1.00 0.00 N ATOM 1108 CA ARG A 68 146.316 4.534 17.675 1.00 0.00 C ATOM 1109 C ARG A 68 146.000 6.000 17.373 1.00 0.00 C ATOM 1110 O ARG A 68 145.384 6.688 18.187 1.00 0.00 O ATOM 1111 CB ARG A 68 147.687 4.429 18.349 1.00 0.00 C ATOM 1112 CG ARG A 68 147.767 3.327 19.394 1.00 0.00 C ATOM 1113 CD ARG A 68 148.442 3.809 20.671 1.00 0.00 C ATOM 1114 NE ARG A 68 149.784 4.342 20.424 1.00 0.00 N ATOM 1115 CZ ARG A 68 150.866 3.586 20.210 1.00 0.00 C ATOM 1116 NH1 ARG A 68 150.774 2.257 20.203 1.00 0.00 N ATOM 1117 NH2 ARG A 68 152.046 4.162 20.002 1.00 0.00 N ATOM 0 H ARG A 68 147.170 3.290 16.214 1.00 0.00 H new ATOM 0 HA ARG A 68 145.553 4.149 18.352 1.00 0.00 H new ATOM 0 HB2 ARG A 68 148.445 4.251 17.586 1.00 0.00 H new ATOM 0 HB3 ARG A 68 147.926 5.383 18.819 1.00 0.00 H new ATOM 0 HG2 ARG A 68 146.763 2.971 19.625 1.00 0.00 H new ATOM 0 HG3 ARG A 68 148.320 2.480 18.988 1.00 0.00 H new ATOM 0 HD2 ARG A 68 147.827 4.580 21.135 1.00 0.00 H new ATOM 0 HD3 ARG A 68 148.506 2.983 21.379 1.00 0.00 H new ATOM 0 HE ARG A 68 149.901 5.355 20.415 1.00 0.00 H new ATOM 0 HH11 ARG A 68 149.872 1.807 20.362 1.00 0.00 H new ATOM 0 HH12 ARG A 68 151.605 1.689 20.039 1.00 0.00 H new ATOM 0 HH21 ARG A 68 152.125 5.179 20.006 1.00 0.00 H new ATOM 0 HH22 ARG A 68 152.872 3.587 19.839 1.00 0.00 H new ATOM 1131 N SER A 69 146.425 6.472 16.200 1.00 0.00 N ATOM 1132 CA SER A 69 146.183 7.856 15.799 1.00 0.00 C ATOM 1133 C SER A 69 144.826 8.003 15.109 1.00 0.00 C ATOM 1134 O SER A 69 144.576 7.388 14.070 1.00 0.00 O ATOM 1135 CB SER A 69 147.296 8.343 14.869 1.00 0.00 C ATOM 1136 OG SER A 69 147.154 9.726 14.583 1.00 0.00 O ATOM 0 H SER A 69 146.937 5.917 15.514 1.00 0.00 H new ATOM 0 HA SER A 69 146.176 8.468 16.701 1.00 0.00 H new ATOM 0 HB2 SER A 69 148.266 8.162 15.332 1.00 0.00 H new ATOM 0 HB3 SER A 69 147.274 7.772 13.941 1.00 0.00 H new ATOM 0 HG SER A 69 147.982 10.064 14.182 1.00 0.00 H new ATOM 1142 N SER A 70 143.958 8.833 15.690 1.00 0.00 N ATOM 1143 CA SER A 70 142.627 9.076 15.132 1.00 0.00 C ATOM 1144 C SER A 70 142.690 10.044 13.948 1.00 0.00 C ATOM 1145 O SER A 70 141.893 9.939 13.014 1.00 0.00 O ATOM 1146 CB SER A 70 141.689 9.634 16.207 1.00 0.00 C ATOM 1147 OG SER A 70 141.476 8.687 17.241 1.00 0.00 O ATOM 0 H SER A 70 144.153 9.349 16.548 1.00 0.00 H new ATOM 0 HA SER A 70 142.238 8.122 14.776 1.00 0.00 H new ATOM 0 HB2 SER A 70 142.114 10.546 16.627 1.00 0.00 H new ATOM 0 HB3 SER A 70 140.735 9.905 15.756 1.00 0.00 H new ATOM 0 HG SER A 70 140.875 9.068 17.915 1.00 0.00 H new ATOM 1153 N SER A 71 143.637 10.988 13.992 1.00 0.00 N ATOM 1154 CA SER A 71 143.797 11.976 12.922 1.00 0.00 C ATOM 1155 C SER A 71 144.827 11.519 11.880 1.00 0.00 C ATOM 1156 O SER A 71 145.568 12.336 11.326 1.00 0.00 O ATOM 1157 CB SER A 71 144.215 13.327 13.513 1.00 0.00 C ATOM 1158 OG SER A 71 145.320 13.187 14.393 1.00 0.00 O ATOM 0 H SER A 71 144.304 11.088 14.758 1.00 0.00 H new ATOM 0 HA SER A 71 142.836 12.080 12.419 1.00 0.00 H new ATOM 0 HB2 SER A 71 144.474 14.014 12.707 1.00 0.00 H new ATOM 0 HB3 SER A 71 143.374 13.767 14.049 1.00 0.00 H new ATOM 0 HG SER A 71 145.565 14.065 14.753 1.00 0.00 H new ATOM 1164 N MET A 72 144.866 10.214 11.612 1.00 0.00 N ATOM 1165 CA MET A 72 145.799 9.658 10.638 1.00 0.00 C ATOM 1166 C MET A 72 145.189 8.447 9.931 1.00 0.00 C ATOM 1167 O MET A 72 145.470 7.301 10.286 1.00 0.00 O ATOM 1168 CB MET A 72 147.111 9.269 11.327 1.00 0.00 C ATOM 1169 CG MET A 72 148.341 9.484 10.462 1.00 0.00 C ATOM 1170 SD MET A 72 149.860 9.581 11.429 1.00 0.00 S ATOM 1171 CE MET A 72 150.387 7.870 11.404 1.00 0.00 C ATOM 0 H MET A 72 144.261 9.524 12.057 1.00 0.00 H new ATOM 0 HA MET A 72 146.008 10.420 9.887 1.00 0.00 H new ATOM 0 HB2 MET A 72 147.216 9.850 12.243 1.00 0.00 H new ATOM 0 HB3 MET A 72 147.061 8.220 11.618 1.00 0.00 H new ATOM 0 HG2 MET A 72 148.423 8.668 9.744 1.00 0.00 H new ATOM 0 HG3 MET A 72 148.221 10.403 9.888 1.00 0.00 H new ATOM 0 HE1 MET A 72 151.353 7.779 11.901 1.00 0.00 H new ATOM 0 HE2 MET A 72 149.652 7.255 11.924 1.00 0.00 H new ATOM 0 HE3 MET A 72 150.478 7.532 10.372 1.00 0.00 H new ATOM 1181 N LYS A 73 144.350 8.710 8.926 1.00 0.00 N ATOM 1182 CA LYS A 73 143.699 7.640 8.166 1.00 0.00 C ATOM 1183 C LYS A 73 144.366 7.441 6.799 1.00 0.00 C ATOM 1184 O LYS A 73 143.710 7.056 5.828 1.00 0.00 O ATOM 1185 CB LYS A 73 142.206 7.949 7.983 1.00 0.00 C ATOM 1186 CG LYS A 73 141.392 7.818 9.262 1.00 0.00 C ATOM 1187 CD LYS A 73 141.064 6.363 9.570 1.00 0.00 C ATOM 1188 CE LYS A 73 141.531 5.964 10.963 1.00 0.00 C ATOM 1189 NZ LYS A 73 140.454 6.116 11.984 1.00 0.00 N ATOM 0 H LYS A 73 144.106 9.652 8.620 1.00 0.00 H new ATOM 0 HA LYS A 73 143.806 6.715 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 73 142.099 8.963 7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 73 141.795 7.276 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 73 141.948 8.250 10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 73 140.468 8.388 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 73 139.988 6.207 9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 73 141.537 5.718 8.829 1.00 0.00 H new ATOM 0 HE2 LYS A 73 141.871 4.928 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 73 142.387 6.576 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 140.817 5.833 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 140.146 7.109 12.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 139.646 5.512 11.729 1.00 0.00 H new ATOM 1203 N SER A 74 145.676 7.696 6.733 1.00 0.00 N ATOM 1204 CA SER A 74 146.435 7.540 5.493 1.00 0.00 C ATOM 1205 C SER A 74 147.916 7.324 5.792 1.00 0.00 C ATOM 1206 O SER A 74 148.462 7.925 6.719 1.00 0.00 O ATOM 1207 CB SER A 74 146.259 8.771 4.596 1.00 0.00 C ATOM 1208 OG SER A 74 145.080 8.673 3.815 1.00 0.00 O ATOM 0 H SER A 74 146.232 8.012 7.527 1.00 0.00 H new ATOM 0 HA SER A 74 146.051 6.664 4.970 1.00 0.00 H new ATOM 0 HB2 SER A 74 146.217 9.670 5.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 147.124 8.874 3.941 1.00 0.00 H new ATOM 0 HG SER A 74 144.436 8.088 4.266 1.00 0.00 H new ATOM 1214 N LEU A 75 148.564 6.464 5.003 1.00 0.00 N ATOM 1215 CA LEU A 75 149.986 6.177 5.192 1.00 0.00 C ATOM 1216 C LEU A 75 150.804 6.618 3.980 1.00 0.00 C ATOM 1217 O LEU A 75 150.452 6.320 2.837 1.00 0.00 O ATOM 1218 CB LEU A 75 150.219 4.685 5.474 1.00 0.00 C ATOM 1219 CG LEU A 75 149.226 3.717 4.825 1.00 0.00 C ATOM 1220 CD1 LEU A 75 149.923 2.425 4.430 1.00 0.00 C ATOM 1221 CD2 LEU A 75 148.069 3.427 5.769 1.00 0.00 C ATOM 0 H LEU A 75 148.129 5.957 4.232 1.00 0.00 H new ATOM 0 HA LEU A 75 150.320 6.747 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 75 151.223 4.424 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 75 150.194 4.531 6.553 1.00 0.00 H new ATOM 0 HG LEU A 75 148.828 4.185 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 75 149.202 1.749 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 75 150.720 2.644 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 75 150.347 1.955 5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 75 147.373 2.737 5.291 1.00 0.00 H new ATOM 0 HD22 LEU A 75 148.451 2.979 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 75 147.552 4.357 6.007 1.00 0.00 H new ATOM 1233 N ARG A 76 151.900 7.333 4.244 1.00 0.00 N ATOM 1234 CA ARG A 76 152.776 7.825 3.184 1.00 0.00 C ATOM 1235 C ARG A 76 154.002 6.928 3.025 1.00 0.00 C ATOM 1236 O ARG A 76 154.806 6.789 3.950 1.00 0.00 O ATOM 1237 CB ARG A 76 153.223 9.260 3.483 1.00 0.00 C ATOM 1238 CG ARG A 76 152.192 10.317 3.115 1.00 0.00 C ATOM 1239 CD ARG A 76 152.180 11.463 4.117 1.00 0.00 C ATOM 1240 NE ARG A 76 153.491 12.104 4.252 1.00 0.00 N ATOM 1241 CZ ARG A 76 153.683 13.306 4.803 1.00 0.00 C ATOM 1242 NH1 ARG A 76 152.652 14.010 5.265 1.00 0.00 N ATOM 1243 NH2 ARG A 76 154.910 13.809 4.894 1.00 0.00 N ATOM 0 H ARG A 76 152.201 7.583 5.186 1.00 0.00 H new ATOM 0 HA ARG A 76 152.211 7.811 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 76 153.452 9.345 4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 76 154.146 9.463 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 76 152.408 10.706 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 76 151.203 9.861 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 76 151.446 12.206 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 76 151.861 11.088 5.089 1.00 0.00 H new ATOM 0 HE ARG A 76 154.307 11.601 3.904 1.00 0.00 H new ATOM 0 HH11 ARG A 76 151.707 13.633 5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 76 152.807 14.927 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 76 155.706 13.277 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 76 155.055 14.727 5.315 1.00 0.00 H new ATOM 1257 N ILE A 77 154.140 6.327 1.844 1.00 0.00 N ATOM 1258 CA ILE A 77 155.268 5.446 1.553 1.00 0.00 C ATOM 1259 C ILE A 77 156.002 5.904 0.294 1.00 0.00 C ATOM 1260 O ILE A 77 155.377 6.186 -0.731 1.00 0.00 O ATOM 1261 CB ILE A 77 154.815 3.980 1.371 1.00 0.00 C ATOM 1262 CG1 ILE A 77 153.914 3.544 2.531 1.00 0.00 C ATOM 1263 CG2 ILE A 77 156.022 3.058 1.260 1.00 0.00 C ATOM 1264 CD1 ILE A 77 152.469 3.345 2.130 1.00 0.00 C ATOM 0 H ILE A 77 153.482 6.435 1.072 1.00 0.00 H new ATOM 0 HA ILE A 77 155.942 5.499 2.408 1.00 0.00 H new ATOM 0 HB ILE A 77 154.241 3.912 0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 77 154.298 2.614 2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 77 153.964 4.293 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 77 155.684 2.030 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 156.626 3.351 0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 77 156.622 3.133 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 77 151.889 3.037 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 77 152.068 4.280 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 77 152.407 2.574 1.362 1.00 0.00 H new ATOM 1276 N LEU A 78 157.330 5.980 0.380 1.00 0.00 N ATOM 1277 CA LEU A 78 158.153 6.407 -0.749 1.00 0.00 C ATOM 1278 C LEU A 78 158.804 5.203 -1.428 1.00 0.00 C ATOM 1279 O LEU A 78 159.569 4.466 -0.802 1.00 0.00 O ATOM 1280 CB LEU A 78 159.231 7.392 -0.280 1.00 0.00 C ATOM 1281 CG LEU A 78 158.723 8.568 0.564 1.00 0.00 C ATOM 1282 CD1 LEU A 78 159.738 8.937 1.637 1.00 0.00 C ATOM 1283 CD2 LEU A 78 158.418 9.768 -0.321 1.00 0.00 C ATOM 0 H LEU A 78 157.859 5.751 1.222 1.00 0.00 H new ATOM 0 HA LEU A 78 157.508 6.906 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 78 159.973 6.844 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 78 159.742 7.790 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 78 157.801 8.262 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 78 159.359 9.773 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 78 159.905 8.080 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 78 160.679 9.222 1.166 1.00 0.00 H new ATOM 0 HD21 LEU A 78 158.059 10.592 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 78 159.324 10.074 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 78 157.652 9.498 -1.048 1.00 0.00 H new ATOM 1295 N LEU A 79 158.492 5.008 -2.711 1.00 0.00 N ATOM 1296 CA LEU A 79 159.041 3.891 -3.480 1.00 0.00 C ATOM 1297 C LEU A 79 160.306 4.310 -4.227 1.00 0.00 C ATOM 1298 O LEU A 79 160.270 5.213 -5.065 1.00 0.00 O ATOM 1299 CB LEU A 79 158.002 3.372 -4.486 1.00 0.00 C ATOM 1300 CG LEU A 79 156.583 3.190 -3.936 1.00 0.00 C ATOM 1301 CD1 LEU A 79 155.553 3.767 -4.897 1.00 0.00 C ATOM 1302 CD2 LEU A 79 156.299 1.720 -3.674 1.00 0.00 C ATOM 0 H LEU A 79 157.861 5.611 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 79 159.295 3.096 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 79 157.961 4.063 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 79 158.347 2.415 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 79 156.511 3.731 -2.993 1.00 0.00 H new ATOM 0 HD11 LEU A 79 154.553 3.627 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 79 155.742 4.831 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 79 155.625 3.257 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 79 155.287 1.609 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 79 156.393 1.160 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 79 157.013 1.336 -2.946 1.00 0.00 H new ATOM 1314 N LEU A 80 161.422 3.643 -3.926 1.00 0.00 N ATOM 1315 CA LEU A 80 162.697 3.942 -4.578 1.00 0.00 C ATOM 1316 C LEU A 80 163.364 2.666 -5.085 1.00 0.00 C ATOM 1317 O LEU A 80 163.399 1.655 -4.384 1.00 0.00 O ATOM 1318 CB LEU A 80 163.639 4.679 -3.617 1.00 0.00 C ATOM 1319 CG LEU A 80 164.107 3.871 -2.400 1.00 0.00 C ATOM 1320 CD1 LEU A 80 165.425 3.167 -2.691 1.00 0.00 C ATOM 1321 CD2 LEU A 80 164.245 4.775 -1.185 1.00 0.00 C ATOM 0 H LEU A 80 161.468 2.893 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 80 162.490 4.588 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 80 164.517 5.004 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 80 163.136 5.579 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 80 163.355 3.111 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 80 165.737 2.601 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 80 165.297 2.488 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 166.187 3.907 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 80 164.578 4.187 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 80 164.975 5.557 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 80 163.281 5.230 -0.959 1.00 0.00 H new ATOM 1333 N SER A 81 163.898 2.723 -6.303 1.00 0.00 N ATOM 1334 CA SER A 81 164.570 1.570 -6.898 1.00 0.00 C ATOM 1335 C SER A 81 165.935 1.344 -6.250 1.00 0.00 C ATOM 1336 O SER A 81 166.614 2.298 -5.865 1.00 0.00 O ATOM 1337 CB SER A 81 164.733 1.766 -8.409 1.00 0.00 C ATOM 1338 OG SER A 81 165.408 2.979 -8.700 1.00 0.00 O ATOM 0 H SER A 81 163.879 3.553 -6.896 1.00 0.00 H new ATOM 0 HA SER A 81 163.952 0.690 -6.721 1.00 0.00 H new ATOM 0 HB2 SER A 81 165.289 0.928 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 81 163.753 1.769 -8.886 1.00 0.00 H new ATOM 0 HG SER A 81 165.500 3.078 -9.671 1.00 0.00 H new ATOM 1344 N GLN A 82 166.333 0.078 -6.134 1.00 0.00 N ATOM 1345 CA GLN A 82 167.619 -0.269 -5.532 1.00 0.00 C ATOM 1346 C GLN A 82 168.701 -0.469 -6.600 1.00 0.00 C ATOM 1347 O GLN A 82 169.576 -1.327 -6.459 1.00 0.00 O ATOM 1348 CB GLN A 82 167.479 -1.532 -4.678 1.00 0.00 C ATOM 1349 CG GLN A 82 168.447 -1.583 -3.506 1.00 0.00 C ATOM 1350 CD GLN A 82 167.929 -0.839 -2.290 1.00 0.00 C ATOM 1351 OE1 GLN A 82 167.283 -1.423 -1.421 1.00 0.00 O ATOM 1352 NE2 GLN A 82 168.211 0.458 -2.222 1.00 0.00 N ATOM 0 H GLN A 82 165.785 -0.723 -6.448 1.00 0.00 H new ATOM 0 HA GLN A 82 167.926 0.561 -4.896 1.00 0.00 H new ATOM 0 HB2 GLN A 82 166.459 -1.593 -4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 82 167.638 -2.407 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 82 168.634 -2.623 -3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 82 169.402 -1.155 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 82 168.750 0.902 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 82 167.889 1.009 -1.426 1.00 0.00 H new ATOM 1361 N ASP A 83 168.639 0.335 -7.663 1.00 0.00 N ATOM 1362 CA ASP A 83 169.612 0.254 -8.749 1.00 0.00 C ATOM 1363 C ASP A 83 170.096 1.649 -9.142 1.00 0.00 C ATOM 1364 O ASP A 83 169.670 2.204 -10.158 1.00 0.00 O ATOM 1365 CB ASP A 83 168.998 -0.452 -9.963 1.00 0.00 C ATOM 1366 CG ASP A 83 168.570 -1.875 -9.656 1.00 0.00 C ATOM 1367 OD1 ASP A 83 169.456 -2.729 -9.438 1.00 0.00 O ATOM 1368 OD2 ASP A 83 167.348 -2.135 -9.631 1.00 0.00 O ATOM 0 H ASP A 83 167.923 1.050 -7.793 1.00 0.00 H new ATOM 0 HA ASP A 83 170.467 -0.325 -8.401 1.00 0.00 H new ATOM 0 HB2 ASP A 83 168.135 0.116 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 83 169.722 -0.462 -10.777 1.00 0.00 H new ATOM 1373 N ARG A 84 170.987 2.213 -8.326 1.00 0.00 N ATOM 1374 CA ARG A 84 171.530 3.544 -8.583 1.00 0.00 C ATOM 1375 C ARG A 84 173.030 3.475 -8.871 1.00 0.00 C ATOM 1376 O ARG A 84 173.853 3.471 -7.952 1.00 0.00 O ATOM 1377 CB ARG A 84 171.245 4.482 -7.400 1.00 0.00 C ATOM 1378 CG ARG A 84 171.634 3.913 -6.043 1.00 0.00 C ATOM 1379 CD ARG A 84 172.533 4.869 -5.275 1.00 0.00 C ATOM 1380 NE ARG A 84 173.342 4.178 -4.273 1.00 0.00 N ATOM 1381 CZ ARG A 84 174.432 4.697 -3.704 1.00 0.00 C ATOM 1382 NH1 ARG A 84 174.845 5.924 -4.021 1.00 0.00 N ATOM 1383 NH2 ARG A 84 175.111 3.988 -2.811 1.00 0.00 N ATOM 0 H ARG A 84 171.347 1.768 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 84 171.036 3.948 -9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 84 171.781 5.418 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 84 170.182 4.722 -7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 84 170.735 3.710 -5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 84 172.146 2.961 -6.180 1.00 0.00 H new ATOM 0 HD2 ARG A 84 173.188 5.389 -5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 84 171.921 5.627 -4.786 1.00 0.00 H new ATOM 0 HE ARG A 84 173.056 3.241 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 84 174.327 6.476 -4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 84 175.679 6.311 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 84 174.799 3.049 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 84 175.944 4.382 -2.374 1.00 0.00 H new ATOM 1397 N ASN A 85 173.371 3.418 -10.162 1.00 0.00 N ATOM 1398 CA ASN A 85 174.764 3.345 -10.607 1.00 0.00 C ATOM 1399 C ASN A 85 175.462 2.098 -10.059 1.00 0.00 C ATOM 1400 O ASN A 85 176.395 2.195 -9.259 1.00 0.00 O ATOM 1401 CB ASN A 85 175.529 4.610 -10.195 1.00 0.00 C ATOM 1402 CG ASN A 85 175.710 5.577 -11.350 1.00 0.00 C ATOM 1403 OD1 ASN A 85 174.897 6.478 -11.549 1.00 0.00 O ATOM 1404 ND2 ASN A 85 176.779 5.395 -12.120 1.00 0.00 N ATOM 0 H ASN A 85 172.692 3.421 -10.924 1.00 0.00 H new ATOM 0 HA ASN A 85 174.760 3.276 -11.695 1.00 0.00 H new ATOM 0 HB2 ASN A 85 174.993 5.109 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 85 176.507 4.329 -9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 85 176.949 6.016 -12.911 1.00 0.00 H new ATOM 0 HD22 ASN A 85 177.429 4.635 -11.919 1.00 0.00 H new ATOM 1411 N LEU A 86 175.007 0.923 -10.500 1.00 0.00 N ATOM 1412 CA LEU A 86 175.592 -0.343 -10.059 1.00 0.00 C ATOM 1413 C LEU A 86 175.073 -1.515 -10.898 1.00 0.00 C ATOM 1414 O LEU A 86 174.075 -2.149 -10.547 1.00 0.00 O ATOM 1415 CB LEU A 86 175.298 -0.582 -8.572 1.00 0.00 C ATOM 1416 CG LEU A 86 176.436 -1.240 -7.783 1.00 0.00 C ATOM 1417 CD1 LEU A 86 176.759 -0.428 -6.538 1.00 0.00 C ATOM 1418 CD2 LEU A 86 176.070 -2.669 -7.412 1.00 0.00 C ATOM 0 H LEU A 86 174.237 0.823 -11.161 1.00 0.00 H new ATOM 0 HA LEU A 86 176.671 -0.279 -10.198 1.00 0.00 H new ATOM 0 HB2 LEU A 86 175.059 0.374 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 86 174.410 -1.208 -8.489 1.00 0.00 H new ATOM 0 HG LEU A 86 177.324 -1.267 -8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 86 177.569 -0.909 -5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 86 177.064 0.577 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 86 175.875 -0.369 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 86 176.889 -3.121 -6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 86 175.169 -2.666 -6.798 1.00 0.00 H new ATOM 0 HD23 LEU A 86 175.889 -3.245 -8.319 1.00 0.00 H new ATOM 1430 N GLU A 87 175.760 -1.797 -12.007 1.00 0.00 N ATOM 1431 CA GLU A 87 175.372 -2.895 -12.898 1.00 0.00 C ATOM 1432 C GLU A 87 176.409 -4.023 -12.882 1.00 0.00 C ATOM 1433 O GLU A 87 176.054 -5.197 -12.984 1.00 0.00 O ATOM 1434 CB GLU A 87 175.182 -2.384 -14.330 1.00 0.00 C ATOM 1435 CG GLU A 87 173.998 -1.442 -14.494 1.00 0.00 C ATOM 1436 CD GLU A 87 173.339 -1.559 -15.856 1.00 0.00 C ATOM 1437 OE1 GLU A 87 172.821 -2.650 -16.176 1.00 0.00 O ATOM 1438 OE2 GLU A 87 173.341 -0.558 -16.603 1.00 0.00 O ATOM 0 H GLU A 87 176.587 -1.282 -12.310 1.00 0.00 H new ATOM 0 HA GLU A 87 174.427 -3.295 -12.532 1.00 0.00 H new ATOM 0 HB2 GLU A 87 176.090 -1.870 -14.646 1.00 0.00 H new ATOM 0 HB3 GLU A 87 175.051 -3.237 -14.996 1.00 0.00 H new ATOM 0 HG2 GLU A 87 173.261 -1.654 -13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 87 174.332 -0.415 -14.344 1.00 0.00 H new ATOM 1445 N HIS A 88 177.691 -3.658 -12.759 1.00 0.00 N ATOM 1446 CA HIS A 88 178.786 -4.635 -12.731 1.00 0.00 C ATOM 1447 C HIS A 88 178.931 -5.369 -14.074 1.00 0.00 C ATOM 1448 O HIS A 88 179.424 -6.500 -14.117 1.00 0.00 O ATOM 1449 CB HIS A 88 178.574 -5.650 -11.598 1.00 0.00 C ATOM 1450 CG HIS A 88 179.517 -5.482 -10.444 1.00 0.00 C ATOM 1451 ND1 HIS A 88 180.829 -5.078 -10.588 1.00 0.00 N ATOM 1452 CD2 HIS A 88 179.330 -5.672 -9.115 1.00 0.00 C ATOM 1453 CE1 HIS A 88 181.406 -5.028 -9.399 1.00 0.00 C ATOM 1454 NE2 HIS A 88 180.518 -5.384 -8.490 1.00 0.00 N ATOM 0 H HIS A 88 177.996 -2.688 -12.677 1.00 0.00 H new ATOM 0 HA HIS A 88 179.708 -4.083 -12.550 1.00 0.00 H new ATOM 0 HB2 HIS A 88 177.551 -5.563 -11.233 1.00 0.00 H new ATOM 0 HB3 HIS A 88 178.685 -6.657 -12.001 1.00 0.00 H new ATOM 0 HD2 HIS A 88 178.416 -5.991 -8.636 1.00 0.00 H new ATOM 0 HE1 HIS A 88 182.430 -4.744 -9.205 1.00 0.00 H new ATOM 0 HE2 HIS A 88 180.687 -5.437 -7.485 1.00 0.00 H new ATOM 1463 N HIS A 89 178.512 -4.717 -15.165 1.00 0.00 N ATOM 1464 CA HIS A 89 178.597 -5.295 -16.512 1.00 0.00 C ATOM 1465 C HIS A 89 177.621 -6.464 -16.684 1.00 0.00 C ATOM 1466 O HIS A 89 176.637 -6.351 -17.416 1.00 0.00 O ATOM 1467 CB HIS A 89 180.029 -5.742 -16.829 1.00 0.00 C ATOM 1468 CG HIS A 89 180.537 -5.236 -18.146 1.00 0.00 C ATOM 1469 ND1 HIS A 89 180.712 -6.046 -19.249 1.00 0.00 N ATOM 1470 CD2 HIS A 89 180.906 -3.991 -18.535 1.00 0.00 C ATOM 1471 CE1 HIS A 89 181.169 -5.323 -20.256 1.00 0.00 C ATOM 1472 NE2 HIS A 89 181.295 -4.074 -19.850 1.00 0.00 N ATOM 0 H HIS A 89 178.107 -3.781 -15.140 1.00 0.00 H new ATOM 0 HA HIS A 89 178.314 -4.515 -17.219 1.00 0.00 H new ATOM 0 HB2 HIS A 89 180.693 -5.397 -16.036 1.00 0.00 H new ATOM 0 HB3 HIS A 89 180.070 -6.831 -16.827 1.00 0.00 H new ATOM 0 HD2 HIS A 89 180.896 -3.100 -17.925 1.00 0.00 H new ATOM 0 HE1 HIS A 89 181.400 -5.692 -21.244 1.00 0.00 H new ATOM 0 HE2 HIS A 89 181.627 -3.296 -20.420 1.00 0.00 H new ATOM 1481 N HIS A 90 177.892 -7.580 -16.004 1.00 0.00 N ATOM 1482 CA HIS A 90 177.028 -8.756 -16.080 1.00 0.00 C ATOM 1483 C HIS A 90 176.081 -8.795 -14.874 1.00 0.00 C ATOM 1484 O HIS A 90 175.912 -7.788 -14.184 1.00 0.00 O ATOM 1485 CB HIS A 90 177.870 -10.041 -16.144 1.00 0.00 C ATOM 1486 CG HIS A 90 178.873 -10.069 -17.262 1.00 0.00 C ATOM 1487 ND1 HIS A 90 178.769 -9.291 -18.399 1.00 0.00 N ATOM 1488 CD2 HIS A 90 180.004 -10.801 -17.414 1.00 0.00 C ATOM 1489 CE1 HIS A 90 179.790 -9.545 -19.199 1.00 0.00 C ATOM 1490 NE2 HIS A 90 180.553 -10.456 -18.624 1.00 0.00 N ATOM 0 H HIS A 90 178.703 -7.692 -15.395 1.00 0.00 H new ATOM 0 HA HIS A 90 176.432 -8.692 -16.990 1.00 0.00 H new ATOM 0 HB2 HIS A 90 178.396 -10.164 -15.197 1.00 0.00 H new ATOM 0 HB3 HIS A 90 177.201 -10.895 -16.251 1.00 0.00 H new ATOM 0 HD2 HIS A 90 180.399 -11.522 -16.713 1.00 0.00 H new ATOM 0 HE1 HIS A 90 179.970 -9.085 -20.160 1.00 0.00 H new ATOM 0 HE2 HIS A 90 181.412 -10.842 -19.016 1.00 0.00 H new ATOM 1499 N HIS A 91 175.466 -9.957 -14.623 1.00 0.00 N ATOM 1500 CA HIS A 91 174.540 -10.124 -13.498 1.00 0.00 C ATOM 1501 C HIS A 91 173.259 -9.318 -13.712 1.00 0.00 C ATOM 1502 O HIS A 91 173.155 -8.166 -13.285 1.00 0.00 O ATOM 1503 CB HIS A 91 175.206 -9.712 -12.177 1.00 0.00 C ATOM 1504 CG HIS A 91 175.621 -10.868 -11.319 1.00 0.00 C ATOM 1505 ND1 HIS A 91 176.408 -10.724 -10.196 1.00 0.00 N ATOM 1506 CD2 HIS A 91 175.354 -12.192 -11.422 1.00 0.00 C ATOM 1507 CE1 HIS A 91 176.609 -11.909 -9.647 1.00 0.00 C ATOM 1508 NE2 HIS A 91 175.979 -12.816 -10.371 1.00 0.00 N ATOM 0 H HIS A 91 175.594 -10.798 -15.186 1.00 0.00 H new ATOM 0 HA HIS A 91 174.276 -11.180 -13.444 1.00 0.00 H new ATOM 0 HB2 HIS A 91 176.083 -9.103 -12.398 1.00 0.00 H new ATOM 0 HB3 HIS A 91 174.516 -9.084 -11.614 1.00 0.00 H new ATOM 0 HD2 HIS A 91 174.760 -12.668 -12.188 1.00 0.00 H new ATOM 0 HE1 HIS A 91 177.190 -12.103 -8.757 1.00 0.00 H new ATOM 0 HE2 HIS A 91 175.960 -13.818 -10.180 1.00 0.00 H new ATOM 1517 N HIS A 92 172.285 -9.939 -14.378 1.00 0.00 N ATOM 1518 CA HIS A 92 170.999 -9.294 -14.656 1.00 0.00 C ATOM 1519 C HIS A 92 170.318 -8.823 -13.370 1.00 0.00 C ATOM 1520 O HIS A 92 169.700 -7.758 -13.345 1.00 0.00 O ATOM 1521 CB HIS A 92 170.066 -10.248 -15.414 1.00 0.00 C ATOM 1522 CG HIS A 92 169.893 -11.583 -14.751 1.00 0.00 C ATOM 1523 ND1 HIS A 92 168.881 -11.855 -13.853 1.00 0.00 N ATOM 1524 CD2 HIS A 92 170.617 -12.723 -14.853 1.00 0.00 C ATOM 1525 CE1 HIS A 92 168.992 -13.102 -13.432 1.00 0.00 C ATOM 1526 NE2 HIS A 92 170.038 -13.651 -14.023 1.00 0.00 N ATOM 0 H HIS A 92 172.362 -10.891 -14.736 1.00 0.00 H new ATOM 0 HA HIS A 92 171.202 -8.422 -15.277 1.00 0.00 H new ATOM 0 HB2 HIS A 92 169.089 -9.777 -15.520 1.00 0.00 H new ATOM 0 HB3 HIS A 92 170.458 -10.401 -16.420 1.00 0.00 H new ATOM 0 HD2 HIS A 92 171.489 -12.874 -15.473 1.00 0.00 H new ATOM 0 HE1 HIS A 92 168.338 -13.590 -12.724 1.00 0.00 H new ATOM 0 HE2 HIS A 92 170.363 -14.608 -13.885 1.00 0.00 H new ATOM 1535 N HIS A 93 170.432 -9.623 -12.307 1.00 0.00 N ATOM 1536 CA HIS A 93 169.827 -9.286 -11.021 1.00 0.00 C ATOM 1537 C HIS A 93 170.820 -8.541 -10.130 1.00 0.00 C ATOM 1538 O HIS A 93 171.975 -9.005 -10.008 1.00 0.00 O ATOM 1539 CB HIS A 93 169.341 -10.554 -10.312 1.00 0.00 C ATOM 1540 CG HIS A 93 167.995 -10.407 -9.663 1.00 0.00 C ATOM 1541 ND1 HIS A 93 166.863 -10.022 -10.352 1.00 0.00 N ATOM 1542 CD2 HIS A 93 167.601 -10.605 -8.381 1.00 0.00 C ATOM 1543 CE1 HIS A 93 165.834 -9.989 -9.523 1.00 0.00 C ATOM 1544 NE2 HIS A 93 166.255 -10.338 -8.321 1.00 0.00 N ATOM 1545 OXT HIS A 93 170.434 -7.497 -9.564 1.00 0.00 O ATOM 0 H HIS A 93 170.938 -10.508 -12.314 1.00 0.00 H new ATOM 0 HA HIS A 93 168.974 -8.634 -11.210 1.00 0.00 H new ATOM 0 HB2 HIS A 93 169.299 -11.369 -11.034 1.00 0.00 H new ATOM 0 HB3 HIS A 93 170.071 -10.837 -9.554 1.00 0.00 H new ATOM 0 HD2 HIS A 93 168.229 -10.915 -7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 93 164.821 -9.722 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 93 165.675 -10.399 -7.484 1.00 0.00 H new TER 1554 HIS A 93