USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0287 (180deg=-0.225) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.014) USER MOD Single : A 9 GLN : amide:sc= 1 K(o=1,f=-7.9!) USER MOD Single : A 11 ASN : amide:sc= -0.0693 X(o=-0.069,f=-0.44!) USER MOD Single : A 17 THR OG1 : rot -139:sc= -1.44! USER MOD Single : A 18 ASN : amide:sc= -1.03 K(o=-1,f=-0.065) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 THR OG1 : rot 113:sc= 1.34 USER MOD Single : A 26 THR OG1 : rot -92:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 2.03 (180deg=1.34) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= 0.744 (180deg=-0.0775) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.21) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.0157 K(o=0.016,f=-0.78) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0316 (180deg=-0.247) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0504 USER MOD Single : A 58 GLN : amide:sc= 0.361 K(o=0.36,f=-3.3!) USER MOD Single : A 60 GLN : amide:sc= 0.226 K(o=0.23,f=-0.28) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 56:sc= 1.15 USER MOD Single : A 67 CYS SG : rot 180:sc= -0.251 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.1) USER MOD Single : A 76 TYR OH : rot -117:sc= 0.0309 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0204 (180deg=-0.252) USER MOD Single : A 89 HIS : no HE2:sc= 0.11 K(o=0.11,f=-1) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.087) USER MOD Single : A 92 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.048) USER MOD Single : A 93 HIS : no HD1:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.448 X(o=-0.45,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.242 30.613 -2.297 1.00 0.00 N ATOM 2 CA MET A 1 2.926 30.202 -2.838 1.00 0.00 C ATOM 3 C MET A 1 3.106 29.176 -3.950 1.00 0.00 C ATOM 4 O MET A 1 3.358 29.538 -5.098 1.00 0.00 O ATOM 5 CB MET A 1 2.165 31.416 -3.385 1.00 0.00 C ATOM 6 CG MET A 1 1.882 32.487 -2.347 1.00 0.00 C ATOM 7 SD MET A 1 1.032 33.922 -3.039 1.00 0.00 S ATOM 8 CE MET A 1 0.957 34.994 -1.607 1.00 0.00 C ATOM 0 H1 MET A 1 4.104 31.134 -1.408 1.00 0.00 H new ATOM 0 H2 MET A 1 4.822 29.769 -2.117 1.00 0.00 H new ATOM 0 H3 MET A 1 4.725 31.225 -2.986 1.00 0.00 H new ATOM 0 HA MET A 1 2.351 29.756 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.741 31.857 -4.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.220 31.078 -3.810 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.275 32.061 -1.548 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.821 32.808 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.457 35.925 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.400 34.500 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.968 35.211 -1.262 1.00 0.00 H new ATOM 20 N PRO A 2 3.016 27.881 -3.619 1.00 0.00 N ATOM 21 CA PRO A 2 3.131 26.800 -4.593 1.00 0.00 C ATOM 22 C PRO A 2 1.801 26.517 -5.284 1.00 0.00 C ATOM 23 O PRO A 2 0.810 26.186 -4.631 1.00 0.00 O ATOM 24 CB PRO A 2 3.564 25.591 -3.745 1.00 0.00 C ATOM 25 CG PRO A 2 3.576 26.058 -2.317 1.00 0.00 C ATOM 26 CD PRO A 2 2.809 27.352 -2.273 1.00 0.00 C ATOM 0 HA PRO A 2 3.831 27.041 -5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.874 24.758 -3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.550 25.238 -4.047 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.118 25.315 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.598 26.203 -1.967 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.753 27.192 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.192 28.026 -1.507 1.00 0.00 H new ATOM 34 N ASP A 3 1.781 26.656 -6.600 1.00 0.00 N ATOM 35 CA ASP A 3 0.563 26.429 -7.372 1.00 0.00 C ATOM 36 C ASP A 3 0.581 25.035 -7.992 1.00 0.00 C ATOM 37 O ASP A 3 1.345 24.771 -8.918 1.00 0.00 O ATOM 38 CB ASP A 3 0.421 27.496 -8.463 1.00 0.00 C ATOM 39 CG ASP A 3 -0.867 27.365 -9.254 1.00 0.00 C ATOM 40 OD1 ASP A 3 -1.955 27.470 -8.648 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.798 27.168 -10.485 1.00 0.00 O ATOM 0 H ASP A 3 2.591 26.924 -7.158 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.294 26.499 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.461 28.484 -8.005 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.269 27.426 -9.145 1.00 0.00 H new ATOM 46 N PRO A 4 -0.248 24.113 -7.478 1.00 0.00 N ATOM 47 CA PRO A 4 -0.267 22.731 -7.942 1.00 0.00 C ATOM 48 C PRO A 4 -1.145 22.534 -9.173 1.00 0.00 C ATOM 49 O PRO A 4 -2.057 23.320 -9.440 1.00 0.00 O ATOM 50 CB PRO A 4 -0.849 21.993 -6.745 1.00 0.00 C ATOM 51 CG PRO A 4 -1.810 22.962 -6.154 1.00 0.00 C ATOM 52 CD PRO A 4 -1.236 24.338 -6.405 1.00 0.00 C ATOM 0 HA PRO A 4 0.718 22.383 -8.252 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.347 21.072 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -0.073 21.716 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.794 22.862 -6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.936 22.782 -5.086 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.007 25.044 -6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -0.769 24.747 -5.509 1.00 0.00 H new ATOM 60 N LEU A 5 -0.874 21.465 -9.905 1.00 0.00 N ATOM 61 CA LEU A 5 -1.608 21.167 -11.126 1.00 0.00 C ATOM 62 C LEU A 5 -2.802 20.257 -10.849 1.00 0.00 C ATOM 63 O LEU A 5 -3.735 20.197 -11.647 1.00 0.00 O ATOM 64 CB LEU A 5 -0.696 20.548 -12.212 1.00 0.00 C ATOM 65 CG LEU A 5 0.468 19.634 -11.757 1.00 0.00 C ATOM 66 CD1 LEU A 5 1.660 20.456 -11.288 1.00 0.00 C ATOM 67 CD2 LEU A 5 0.040 18.667 -10.667 1.00 0.00 C ATOM 0 H LEU A 5 -0.148 20.786 -9.674 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.982 22.117 -11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.327 19.971 -12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.270 21.365 -12.794 1.00 0.00 H new ATOM 0 HG LEU A 5 0.765 19.048 -12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.462 19.788 -10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.011 21.086 -12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.361 21.083 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.888 18.046 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.311 19.228 -9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.765 18.033 -11.039 1.00 0.00 H new ATOM 79 N MET A 6 -2.752 19.549 -9.717 1.00 0.00 N ATOM 80 CA MET A 6 -3.813 18.624 -9.286 1.00 0.00 C ATOM 81 C MET A 6 -3.873 17.364 -10.154 1.00 0.00 C ATOM 82 O MET A 6 -3.821 16.247 -9.639 1.00 0.00 O ATOM 83 CB MET A 6 -5.181 19.315 -9.275 1.00 0.00 C ATOM 84 CG MET A 6 -5.292 20.452 -8.275 1.00 0.00 C ATOM 85 SD MET A 6 -6.906 21.251 -8.321 1.00 0.00 S ATOM 86 CE MET A 6 -6.691 22.515 -7.072 1.00 0.00 C ATOM 0 H MET A 6 -1.969 19.600 -9.066 1.00 0.00 H new ATOM 0 HA MET A 6 -3.562 18.319 -8.270 1.00 0.00 H new ATOM 0 HB2 MET A 6 -5.389 19.701 -10.273 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.949 18.574 -9.053 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.108 20.069 -7.271 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.518 21.191 -8.481 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.608 23.097 -6.982 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.464 22.046 -6.115 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.870 23.173 -7.358 1.00 0.00 H new ATOM 96 N TYR A 7 -3.972 17.553 -11.464 1.00 0.00 N ATOM 97 CA TYR A 7 -4.182 16.452 -12.404 1.00 0.00 C ATOM 98 C TYR A 7 -2.990 15.503 -12.424 1.00 0.00 C ATOM 99 O TYR A 7 -3.149 14.286 -12.334 1.00 0.00 O ATOM 100 CB TYR A 7 -4.402 17.001 -13.816 1.00 0.00 C ATOM 101 CG TYR A 7 -5.217 18.274 -13.868 1.00 0.00 C ATOM 102 CD1 TYR A 7 -6.475 18.353 -13.280 1.00 0.00 C ATOM 103 CD2 TYR A 7 -4.724 19.404 -14.510 1.00 0.00 C ATOM 104 CE1 TYR A 7 -7.211 19.520 -13.330 1.00 0.00 C ATOM 105 CE2 TYR A 7 -5.456 20.573 -14.564 1.00 0.00 C ATOM 106 CZ TYR A 7 -6.699 20.625 -13.972 1.00 0.00 C ATOM 107 OH TYR A 7 -7.430 21.789 -14.019 1.00 0.00 O ATOM 0 H TYR A 7 -3.910 18.470 -11.907 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.063 15.902 -12.074 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.432 17.185 -14.277 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.900 16.239 -14.416 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.882 17.488 -12.777 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.750 19.367 -14.975 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.186 19.566 -12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.057 21.441 -15.067 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.926 22.473 -14.508 1.00 0.00 H new ATOM 117 N GLN A 8 -1.800 16.070 -12.553 1.00 0.00 N ATOM 118 CA GLN A 8 -0.582 15.282 -12.644 1.00 0.00 C ATOM 119 C GLN A 8 -0.223 14.703 -11.283 1.00 0.00 C ATOM 120 O GLN A 8 0.148 15.432 -10.363 1.00 0.00 O ATOM 121 CB GLN A 8 0.567 16.149 -13.155 1.00 0.00 C ATOM 122 CG GLN A 8 1.801 15.367 -13.574 1.00 0.00 C ATOM 123 CD GLN A 8 1.612 14.626 -14.884 1.00 0.00 C ATOM 124 OE1 GLN A 8 1.864 15.169 -15.959 1.00 0.00 O ATOM 125 NE2 GLN A 8 1.176 13.380 -14.806 1.00 0.00 N ATOM 0 H GLN A 8 -1.653 17.078 -12.597 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.751 14.463 -13.343 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.215 16.734 -14.005 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.847 16.857 -12.375 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.644 16.051 -13.668 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.056 14.652 -12.791 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.978 12.965 -13.896 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.038 12.834 -15.656 1.00 0.00 H new ATOM 134 N GLN A 9 -0.357 13.398 -11.153 1.00 0.00 N ATOM 135 CA GLN A 9 -0.006 12.720 -9.920 1.00 0.00 C ATOM 136 C GLN A 9 1.468 12.323 -9.944 1.00 0.00 C ATOM 137 O GLN A 9 2.126 12.418 -10.986 1.00 0.00 O ATOM 138 CB GLN A 9 -0.899 11.488 -9.683 1.00 0.00 C ATOM 139 CG GLN A 9 -0.652 10.309 -10.626 1.00 0.00 C ATOM 140 CD GLN A 9 -1.385 10.412 -11.956 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.619 11.498 -12.483 1.00 0.00 O ATOM 142 NE2 GLN A 9 -1.752 9.266 -12.513 1.00 0.00 N ATOM 0 H GLN A 9 -0.707 12.784 -11.888 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.173 13.409 -9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.755 11.148 -8.658 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.942 11.793 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.418 10.230 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.955 9.389 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.542 8.383 -12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.245 9.268 -13.406 1.00 0.00 H new ATOM 151 N ASP A 10 1.982 11.891 -8.805 1.00 0.00 N ATOM 152 CA ASP A 10 3.387 11.517 -8.691 1.00 0.00 C ATOM 153 C ASP A 10 3.591 10.047 -9.031 1.00 0.00 C ATOM 154 O ASP A 10 2.645 9.345 -9.382 1.00 0.00 O ATOM 155 CB ASP A 10 3.926 11.820 -7.287 1.00 0.00 C ATOM 156 CG ASP A 10 2.976 11.408 -6.179 1.00 0.00 C ATOM 157 OD1 ASP A 10 2.692 10.205 -6.044 1.00 0.00 O ATOM 158 OD2 ASP A 10 2.494 12.301 -5.447 1.00 0.00 O ATOM 0 H ASP A 10 1.448 11.789 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 10 3.947 12.116 -9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.877 11.305 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.128 12.888 -7.205 1.00 0.00 H new ATOM 163 N ASN A 11 4.831 9.590 -8.944 1.00 0.00 N ATOM 164 CA ASN A 11 5.158 8.213 -9.277 1.00 0.00 C ATOM 165 C ASN A 11 6.214 7.658 -8.329 1.00 0.00 C ATOM 166 O ASN A 11 7.024 8.403 -7.771 1.00 0.00 O ATOM 167 CB ASN A 11 5.614 8.095 -10.742 1.00 0.00 C ATOM 168 CG ASN A 11 6.701 9.089 -11.131 1.00 0.00 C ATOM 169 OD1 ASN A 11 7.565 9.448 -10.332 1.00 0.00 O ATOM 170 ND2 ASN A 11 6.658 9.552 -12.371 1.00 0.00 N ATOM 0 H ASN A 11 5.627 10.153 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 11 4.255 7.615 -9.158 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.980 7.084 -10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 11 4.752 8.240 -11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.354 10.226 -12.688 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.928 9.234 -13.009 1.00 0.00 H new ATOM 177 N PHE A 12 6.187 6.348 -8.140 1.00 0.00 N ATOM 178 CA PHE A 12 7.088 5.687 -7.210 1.00 0.00 C ATOM 179 C PHE A 12 7.763 4.504 -7.879 1.00 0.00 C ATOM 180 O PHE A 12 7.225 3.926 -8.826 1.00 0.00 O ATOM 181 CB PHE A 12 6.320 5.194 -5.979 1.00 0.00 C ATOM 182 CG PHE A 12 5.488 6.253 -5.322 1.00 0.00 C ATOM 183 CD1 PHE A 12 6.035 7.087 -4.362 1.00 0.00 C ATOM 184 CD2 PHE A 12 4.156 6.415 -5.665 1.00 0.00 C ATOM 185 CE1 PHE A 12 5.271 8.063 -3.757 1.00 0.00 C ATOM 186 CE2 PHE A 12 3.388 7.388 -5.064 1.00 0.00 C ATOM 187 CZ PHE A 12 3.945 8.214 -4.108 1.00 0.00 C ATOM 0 H PHE A 12 5.546 5.718 -8.622 1.00 0.00 H new ATOM 0 HA PHE A 12 7.843 6.409 -6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.673 4.367 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.031 4.800 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 12 7.072 6.972 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.715 5.772 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.710 8.708 -3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.351 7.505 -5.341 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.344 8.977 -3.636 1.00 0.00 H new ATOM 197 N VAL A 13 8.941 4.151 -7.391 1.00 0.00 N ATOM 198 CA VAL A 13 9.617 2.951 -7.851 1.00 0.00 C ATOM 199 C VAL A 13 9.191 1.761 -6.997 1.00 0.00 C ATOM 200 O VAL A 13 9.405 1.734 -5.783 1.00 0.00 O ATOM 201 CB VAL A 13 11.155 3.103 -7.838 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.602 4.058 -8.934 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.648 3.595 -6.486 1.00 0.00 C ATOM 0 H VAL A 13 9.447 4.677 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 13 9.324 2.782 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 13 11.589 2.120 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.687 4.155 -8.912 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.292 3.669 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.147 5.035 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.733 3.692 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.201 4.565 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.363 2.881 -5.713 1.00 0.00 H new ATOM 213 N VAL A 14 8.558 0.794 -7.635 1.00 0.00 N ATOM 214 CA VAL A 14 7.993 -0.340 -6.930 1.00 0.00 C ATOM 215 C VAL A 14 8.912 -1.544 -7.023 1.00 0.00 C ATOM 216 O VAL A 14 9.233 -2.018 -8.116 1.00 0.00 O ATOM 217 CB VAL A 14 6.600 -0.702 -7.481 1.00 0.00 C ATOM 218 CG1 VAL A 14 6.014 -1.897 -6.743 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.667 0.493 -7.385 1.00 0.00 C ATOM 0 H VAL A 14 8.422 0.772 -8.646 1.00 0.00 H new ATOM 0 HA VAL A 14 7.887 -0.055 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 14 6.710 -0.976 -8.530 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.031 -2.131 -7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.672 -2.758 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.919 -1.659 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.687 0.222 -7.778 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.569 0.795 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.075 1.320 -7.966 1.00 0.00 H new ATOM 229 N LEU A 15 9.343 -2.020 -5.869 1.00 0.00 N ATOM 230 CA LEU A 15 10.206 -3.182 -5.787 1.00 0.00 C ATOM 231 C LEU A 15 9.408 -4.366 -5.262 1.00 0.00 C ATOM 232 O LEU A 15 8.914 -4.335 -4.131 1.00 0.00 O ATOM 233 CB LEU A 15 11.388 -2.897 -4.857 1.00 0.00 C ATOM 234 CG LEU A 15 12.190 -1.638 -5.186 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.249 -1.387 -4.124 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.832 -1.753 -6.560 1.00 0.00 C ATOM 0 H LEU A 15 9.105 -1.612 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 15 10.591 -3.414 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.014 -2.813 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.062 -3.753 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 15 11.505 -0.791 -5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.810 -0.487 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.768 -1.256 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.929 -2.238 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.398 -0.846 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.503 -2.612 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.056 -1.883 -7.314 1.00 0.00 H new ATOM 248 N GLU A 16 9.260 -5.393 -6.081 1.00 0.00 N ATOM 249 CA GLU A 16 8.537 -6.584 -5.674 1.00 0.00 C ATOM 250 C GLU A 16 9.368 -7.825 -5.979 1.00 0.00 C ATOM 251 O GLU A 16 10.252 -7.796 -6.837 1.00 0.00 O ATOM 252 CB GLU A 16 7.180 -6.673 -6.382 1.00 0.00 C ATOM 253 CG GLU A 16 6.227 -7.665 -5.733 1.00 0.00 C ATOM 254 CD GLU A 16 4.983 -7.918 -6.557 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.063 -7.073 -6.535 1.00 0.00 O ATOM 256 OE2 GLU A 16 4.916 -8.979 -7.211 1.00 0.00 O ATOM 0 H GLU A 16 9.631 -5.426 -7.031 1.00 0.00 H new ATOM 0 HA GLU A 16 8.357 -6.525 -4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.717 -5.686 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.339 -6.959 -7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.748 -8.609 -5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.936 -7.291 -4.751 1.00 0.00 H new ATOM 263 N THR A 17 9.076 -8.905 -5.275 1.00 0.00 N ATOM 264 CA THR A 17 9.806 -10.157 -5.419 1.00 0.00 C ATOM 265 C THR A 17 9.569 -10.814 -6.785 1.00 0.00 C ATOM 266 O THR A 17 10.439 -11.517 -7.305 1.00 0.00 O ATOM 267 CB THR A 17 9.391 -11.131 -4.302 1.00 0.00 C ATOM 268 OG1 THR A 17 9.545 -10.490 -3.030 1.00 0.00 O ATOM 269 CG2 THR A 17 10.216 -12.407 -4.337 1.00 0.00 C ATOM 0 H THR A 17 8.325 -8.941 -4.586 1.00 0.00 H new ATOM 0 HA THR A 17 10.868 -9.926 -5.344 1.00 0.00 H new ATOM 0 HB THR A 17 8.348 -11.404 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.923 -11.126 -2.387 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.895 -13.070 -3.534 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.076 -12.905 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.270 -12.162 -4.206 1.00 0.00 H new ATOM 277 N ASN A 18 8.400 -10.585 -7.373 1.00 0.00 N ATOM 278 CA ASN A 18 8.062 -11.239 -8.630 1.00 0.00 C ATOM 279 C ASN A 18 8.313 -10.320 -9.820 1.00 0.00 C ATOM 280 O ASN A 18 8.955 -10.714 -10.792 1.00 0.00 O ATOM 281 CB ASN A 18 6.605 -11.701 -8.645 1.00 0.00 C ATOM 282 CG ASN A 18 6.339 -12.701 -9.754 1.00 0.00 C ATOM 283 OD1 ASN A 18 5.303 -12.656 -10.415 1.00 0.00 O ATOM 284 ND2 ASN A 18 7.259 -13.639 -9.937 1.00 0.00 N ATOM 0 H ASN A 18 7.681 -9.961 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 18 8.710 -12.112 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.357 -12.151 -7.684 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.952 -10.837 -8.771 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.120 -14.358 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.105 -13.641 -9.368 1.00 0.00 H new ATOM 291 N GLN A 19 7.812 -9.096 -9.738 1.00 0.00 N ATOM 292 CA GLN A 19 7.945 -8.149 -10.838 1.00 0.00 C ATOM 293 C GLN A 19 9.276 -7.413 -10.764 1.00 0.00 C ATOM 294 O GLN A 19 9.794 -7.156 -9.677 1.00 0.00 O ATOM 295 CB GLN A 19 6.800 -7.133 -10.822 1.00 0.00 C ATOM 296 CG GLN A 19 5.428 -7.746 -11.041 1.00 0.00 C ATOM 297 CD GLN A 19 4.353 -6.696 -11.216 1.00 0.00 C ATOM 298 OE1 GLN A 19 3.735 -6.248 -10.249 1.00 0.00 O ATOM 299 NE2 GLN A 19 4.129 -6.285 -12.454 1.00 0.00 N ATOM 0 H GLN A 19 7.312 -8.735 -8.926 1.00 0.00 H new ATOM 0 HA GLN A 19 7.905 -8.717 -11.767 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.805 -6.610 -9.865 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.980 -6.385 -11.594 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.455 -8.386 -11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.177 -8.382 -10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.663 -6.682 -13.227 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.423 -5.572 -12.635 1.00 0.00 H new ATOM 308 N PRO A 20 9.859 -7.095 -11.929 1.00 0.00 N ATOM 309 CA PRO A 20 11.074 -6.285 -12.011 1.00 0.00 C ATOM 310 C PRO A 20 10.857 -4.878 -11.466 1.00 0.00 C ATOM 311 O PRO A 20 9.723 -4.397 -11.393 1.00 0.00 O ATOM 312 CB PRO A 20 11.384 -6.235 -13.513 1.00 0.00 C ATOM 313 CG PRO A 20 10.620 -7.368 -14.106 1.00 0.00 C ATOM 314 CD PRO A 20 9.395 -7.522 -13.257 1.00 0.00 C ATOM 0 HA PRO A 20 11.884 -6.707 -11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.078 -5.283 -13.947 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.453 -6.341 -13.698 1.00 0.00 H new ATOM 0 HG2 PRO A 20 10.354 -7.160 -15.142 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.213 -8.282 -14.106 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.574 -6.902 -13.617 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.037 -8.551 -13.248 1.00 0.00 H new ATOM 322 N GLU A 21 11.947 -4.235 -11.072 1.00 0.00 N ATOM 323 CA GLU A 21 11.898 -2.877 -10.546 1.00 0.00 C ATOM 324 C GLU A 21 11.359 -1.894 -11.587 1.00 0.00 C ATOM 325 O GLU A 21 12.056 -1.515 -12.534 1.00 0.00 O ATOM 326 CB GLU A 21 13.291 -2.454 -10.058 1.00 0.00 C ATOM 327 CG GLU A 21 14.414 -2.791 -11.030 1.00 0.00 C ATOM 328 CD GLU A 21 15.788 -2.489 -10.470 1.00 0.00 C ATOM 329 OE1 GLU A 21 16.288 -3.284 -9.645 1.00 0.00 O ATOM 330 OE2 GLU A 21 16.388 -1.466 -10.862 1.00 0.00 O ATOM 0 H GLU A 21 12.884 -4.636 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 21 11.210 -2.861 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.291 -1.379 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.493 -2.938 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.358 -3.848 -11.290 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.271 -2.228 -11.952 1.00 0.00 H new ATOM 337 N GLN A 22 10.105 -1.501 -11.413 1.00 0.00 N ATOM 338 CA GLN A 22 9.443 -0.578 -12.331 1.00 0.00 C ATOM 339 C GLN A 22 8.933 0.642 -11.575 1.00 0.00 C ATOM 340 O GLN A 22 8.850 0.627 -10.347 1.00 0.00 O ATOM 341 CB GLN A 22 8.264 -1.263 -13.033 1.00 0.00 C ATOM 342 CG GLN A 22 8.648 -2.474 -13.871 1.00 0.00 C ATOM 343 CD GLN A 22 7.443 -3.175 -14.475 1.00 0.00 C ATOM 344 OE1 GLN A 22 6.351 -3.168 -13.905 1.00 0.00 O ATOM 345 NE2 GLN A 22 7.627 -3.789 -15.633 1.00 0.00 N ATOM 0 H GLN A 22 9.519 -1.809 -10.637 1.00 0.00 H new ATOM 0 HA GLN A 22 10.172 -0.267 -13.079 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.539 -1.573 -12.280 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.767 -0.536 -13.675 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.319 -2.159 -14.671 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.200 -3.180 -13.251 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.545 -3.775 -16.078 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.851 -4.276 -16.081 1.00 0.00 H new ATOM 354 N PHE A 23 8.584 1.689 -12.304 1.00 0.00 N ATOM 355 CA PHE A 23 8.018 2.875 -11.688 1.00 0.00 C ATOM 356 C PHE A 23 6.611 3.117 -12.220 1.00 0.00 C ATOM 357 O PHE A 23 6.370 3.054 -13.429 1.00 0.00 O ATOM 358 CB PHE A 23 8.912 4.106 -11.918 1.00 0.00 C ATOM 359 CG PHE A 23 9.062 4.521 -13.359 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.942 3.859 -14.202 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.330 5.586 -13.866 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.088 4.248 -15.520 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.470 5.977 -15.183 1.00 0.00 C ATOM 364 CZ PHE A 23 9.349 5.308 -16.012 1.00 0.00 C ATOM 0 H PHE A 23 8.682 1.741 -13.318 1.00 0.00 H new ATOM 0 HA PHE A 23 7.963 2.710 -10.612 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.503 4.944 -11.354 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.901 3.900 -11.510 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.520 3.029 -13.824 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.643 6.115 -13.223 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.778 3.725 -16.165 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.892 6.806 -15.565 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.459 5.612 -17.042 1.00 0.00 H new ATOM 374 N LEU A 24 5.680 3.358 -11.311 1.00 0.00 N ATOM 375 CA LEU A 24 4.296 3.610 -11.676 1.00 0.00 C ATOM 376 C LEU A 24 3.719 4.748 -10.841 1.00 0.00 C ATOM 377 O LEU A 24 4.280 5.115 -9.809 1.00 0.00 O ATOM 378 CB LEU A 24 3.464 2.326 -11.535 1.00 0.00 C ATOM 379 CG LEU A 24 3.705 1.509 -10.260 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.861 2.025 -9.107 1.00 0.00 C ATOM 381 CD2 LEU A 24 3.423 0.038 -10.518 1.00 0.00 C ATOM 0 H LEU A 24 5.860 3.384 -10.307 1.00 0.00 H new ATOM 0 HA LEU A 24 4.258 3.918 -12.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.408 2.594 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.666 1.689 -12.396 1.00 0.00 H new ATOM 0 HG LEU A 24 4.752 1.620 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.054 1.425 -8.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.117 3.065 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.805 1.955 -9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.598 -0.532 -9.605 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.386 -0.084 -10.829 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.083 -0.326 -11.305 1.00 0.00 H new ATOM 393 N THR A 25 2.608 5.302 -11.294 1.00 0.00 N ATOM 394 CA THR A 25 2.028 6.487 -10.682 1.00 0.00 C ATOM 395 C THR A 25 1.210 6.169 -9.424 1.00 0.00 C ATOM 396 O THR A 25 0.928 5.005 -9.129 1.00 0.00 O ATOM 397 CB THR A 25 1.162 7.225 -11.710 1.00 0.00 C ATOM 398 OG1 THR A 25 0.754 6.312 -12.738 1.00 0.00 O ATOM 399 CG2 THR A 25 1.928 8.383 -12.326 1.00 0.00 C ATOM 0 H THR A 25 2.084 4.946 -12.093 1.00 0.00 H new ATOM 0 HA THR A 25 2.852 7.125 -10.362 1.00 0.00 H new ATOM 0 HB THR A 25 0.283 7.623 -11.204 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.215 6.176 -12.689 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.295 8.893 -13.052 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.219 9.084 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.820 8.005 -12.825 1.00 0.00 H new ATOM 407 N THR A 26 0.840 7.223 -8.695 1.00 0.00 N ATOM 408 CA THR A 26 0.137 7.109 -7.418 1.00 0.00 C ATOM 409 C THR A 26 -1.101 6.214 -7.502 1.00 0.00 C ATOM 410 O THR A 26 -1.245 5.273 -6.724 1.00 0.00 O ATOM 411 CB THR A 26 -0.303 8.498 -6.928 1.00 0.00 C ATOM 412 OG1 THR A 26 0.602 9.492 -7.418 1.00 0.00 O ATOM 413 CG2 THR A 26 -0.345 8.548 -5.409 1.00 0.00 C ATOM 0 H THR A 26 1.021 8.186 -8.977 1.00 0.00 H new ATOM 0 HA THR A 26 0.841 6.655 -6.720 1.00 0.00 H new ATOM 0 HB THR A 26 -1.305 8.696 -7.308 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.314 9.639 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.659 9.541 -5.086 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.053 7.806 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.647 8.334 -5.010 1.00 0.00 H new ATOM 421 N ILE A 27 -1.985 6.515 -8.446 1.00 0.00 N ATOM 422 CA ILE A 27 -3.255 5.797 -8.574 1.00 0.00 C ATOM 423 C ILE A 27 -3.017 4.309 -8.819 1.00 0.00 C ATOM 424 O ILE A 27 -3.693 3.452 -8.251 1.00 0.00 O ATOM 425 CB ILE A 27 -4.114 6.371 -9.725 1.00 0.00 C ATOM 426 CG1 ILE A 27 -4.283 7.887 -9.571 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.475 5.687 -9.771 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.952 8.307 -8.278 1.00 0.00 C ATOM 0 H ILE A 27 -1.848 7.253 -9.137 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.793 5.927 -7.635 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.597 6.176 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.302 8.359 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.869 8.263 -10.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.065 6.104 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.339 4.617 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.996 5.849 -8.827 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.034 9.393 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.948 7.867 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.357 7.964 -7.432 1.00 0.00 H new ATOM 440 N GLU A 28 -2.040 4.022 -9.663 1.00 0.00 N ATOM 441 CA GLU A 28 -1.662 2.655 -9.984 1.00 0.00 C ATOM 442 C GLU A 28 -1.204 1.921 -8.729 1.00 0.00 C ATOM 443 O GLU A 28 -1.591 0.777 -8.488 1.00 0.00 O ATOM 444 CB GLU A 28 -0.543 2.657 -11.034 1.00 0.00 C ATOM 445 CG GLU A 28 -0.990 3.050 -12.440 1.00 0.00 C ATOM 446 CD GLU A 28 -1.847 4.300 -12.481 1.00 0.00 C ATOM 447 OE1 GLU A 28 -1.424 5.341 -11.935 1.00 0.00 O ATOM 448 OE2 GLU A 28 -2.945 4.249 -13.068 1.00 0.00 O ATOM 0 H GLU A 28 -1.486 4.730 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.530 2.136 -10.390 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.239 3.344 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.098 1.663 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.108 3.204 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.548 2.223 -12.878 1.00 0.00 H new ATOM 455 N LEU A 29 -0.392 2.595 -7.923 1.00 0.00 N ATOM 456 CA LEU A 29 0.088 2.023 -6.673 1.00 0.00 C ATOM 457 C LEU A 29 -1.064 1.874 -5.685 1.00 0.00 C ATOM 458 O LEU A 29 -1.123 0.904 -4.934 1.00 0.00 O ATOM 459 CB LEU A 29 1.191 2.899 -6.070 1.00 0.00 C ATOM 460 CG LEU A 29 1.826 2.359 -4.788 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.508 1.024 -5.043 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.819 3.364 -4.233 1.00 0.00 C ATOM 0 H LEU A 29 -0.053 3.538 -8.114 1.00 0.00 H new ATOM 0 HA LEU A 29 0.503 1.037 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.975 3.033 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.776 3.886 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 29 1.037 2.201 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.952 0.660 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.773 0.303 -5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.288 1.151 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.265 2.969 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.602 3.547 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.305 4.299 -4.010 1.00 0.00 H new ATOM 474 N LEU A 30 -1.977 2.841 -5.702 1.00 0.00 N ATOM 475 CA LEU A 30 -3.168 2.805 -4.861 1.00 0.00 C ATOM 476 C LEU A 30 -3.958 1.526 -5.082 1.00 0.00 C ATOM 477 O LEU A 30 -4.181 0.762 -4.148 1.00 0.00 O ATOM 478 CB LEU A 30 -4.059 4.016 -5.141 1.00 0.00 C ATOM 479 CG LEU A 30 -3.763 5.251 -4.297 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.504 6.458 -4.848 1.00 0.00 C ATOM 481 CD2 LEU A 30 -4.168 4.999 -2.853 1.00 0.00 C ATOM 0 H LEU A 30 -1.912 3.667 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.840 2.834 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.961 4.283 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.098 3.727 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.693 5.456 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.283 7.332 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.185 6.644 -5.874 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.577 6.265 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.954 5.885 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.235 4.779 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.606 4.152 -2.460 1.00 0.00 H new ATOM 493 N GLU A 31 -4.359 1.286 -6.321 1.00 0.00 N ATOM 494 CA GLU A 31 -5.161 0.113 -6.644 1.00 0.00 C ATOM 495 C GLU A 31 -4.386 -1.177 -6.396 1.00 0.00 C ATOM 496 O GLU A 31 -4.979 -2.212 -6.073 1.00 0.00 O ATOM 497 CB GLU A 31 -5.651 0.173 -8.089 1.00 0.00 C ATOM 498 CG GLU A 31 -6.678 1.266 -8.331 1.00 0.00 C ATOM 499 CD GLU A 31 -7.842 1.188 -7.361 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.284 0.061 -7.038 1.00 0.00 O ATOM 501 OE2 GLU A 31 -8.313 2.247 -6.901 1.00 0.00 O ATOM 0 H GLU A 31 -4.144 1.885 -7.118 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.028 0.115 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.798 0.333 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.085 -0.790 -8.358 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.197 2.240 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.053 1.190 -9.352 1.00 0.00 H new ATOM 508 N LYS A 32 -3.068 -1.112 -6.539 1.00 0.00 N ATOM 509 CA LYS A 32 -2.213 -2.252 -6.239 1.00 0.00 C ATOM 510 C LYS A 32 -2.229 -2.528 -4.739 1.00 0.00 C ATOM 511 O LYS A 32 -2.468 -3.657 -4.306 1.00 0.00 O ATOM 512 CB LYS A 32 -0.778 -1.991 -6.707 1.00 0.00 C ATOM 513 CG LYS A 32 0.120 -3.216 -6.625 1.00 0.00 C ATOM 514 CD LYS A 32 1.554 -2.896 -7.007 1.00 0.00 C ATOM 515 CE LYS A 32 2.380 -4.162 -7.194 1.00 0.00 C ATOM 516 NZ LYS A 32 2.433 -5.004 -5.965 1.00 0.00 N ATOM 0 H LYS A 32 -2.569 -0.283 -6.861 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.596 -3.123 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.799 -1.635 -7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.347 -1.193 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.095 -3.616 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.266 -3.993 -7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.564 -2.315 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.007 -2.276 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.960 -4.747 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.394 -3.889 -7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.162 -5.737 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.665 -4.408 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.508 -5.456 -5.813 1.00 0.00 H new ATOM 530 N LEU A 33 -1.995 -1.479 -3.957 1.00 0.00 N ATOM 531 CA LEU A 33 -1.987 -1.581 -2.502 1.00 0.00 C ATOM 532 C LEU A 33 -3.350 -1.997 -1.968 1.00 0.00 C ATOM 533 O LEU A 33 -3.433 -2.864 -1.120 1.00 0.00 O ATOM 534 CB LEU A 33 -1.577 -0.249 -1.864 1.00 0.00 C ATOM 535 CG LEU A 33 -0.106 0.134 -2.018 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.136 1.535 -1.483 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.782 -0.866 -1.294 1.00 0.00 C ATOM 0 H LEU A 33 -1.807 -0.541 -4.311 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.258 -2.347 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.187 0.543 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.814 -0.288 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 33 0.145 0.118 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.189 1.792 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.476 2.247 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.131 1.572 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.827 -0.578 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.528 -0.877 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.629 -1.860 -1.715 1.00 0.00 H new ATOM 549 N LYS A 34 -4.409 -1.379 -2.481 1.00 0.00 N ATOM 550 CA LYS A 34 -5.768 -1.636 -2.003 1.00 0.00 C ATOM 551 C LYS A 34 -6.100 -3.130 -1.984 1.00 0.00 C ATOM 552 O LYS A 34 -6.615 -3.640 -0.990 1.00 0.00 O ATOM 553 CB LYS A 34 -6.780 -0.873 -2.862 1.00 0.00 C ATOM 554 CG LYS A 34 -6.794 0.622 -2.581 1.00 0.00 C ATOM 555 CD LYS A 34 -7.493 1.427 -3.673 1.00 0.00 C ATOM 556 CE LYS A 34 -8.996 1.192 -3.712 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.366 -0.029 -4.483 1.00 0.00 N ATOM 0 H LYS A 34 -4.354 -0.692 -3.233 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.828 -1.281 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.550 -1.037 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.776 -1.279 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.292 0.803 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.768 0.976 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.300 2.488 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.064 1.166 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.372 1.102 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.484 2.059 -4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.331 0.075 -4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.701 -0.155 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.324 -0.860 -3.859 1.00 0.00 H new ATOM 571 N GLY A 35 -5.779 -3.834 -3.064 1.00 0.00 N ATOM 572 CA GLY A 35 -6.087 -5.253 -3.138 1.00 0.00 C ATOM 573 C GLY A 35 -5.225 -6.093 -2.207 1.00 0.00 C ATOM 574 O GLY A 35 -5.722 -6.977 -1.497 1.00 0.00 O ATOM 0 H GLY A 35 -5.313 -3.451 -3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.137 -5.406 -2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.949 -5.597 -4.163 1.00 0.00 H new ATOM 578 N GLU A 36 -3.933 -5.811 -2.192 1.00 0.00 N ATOM 579 CA GLU A 36 -2.994 -6.581 -1.388 1.00 0.00 C ATOM 580 C GLU A 36 -3.110 -6.211 0.093 1.00 0.00 C ATOM 581 O GLU A 36 -2.691 -6.963 0.966 1.00 0.00 O ATOM 582 CB GLU A 36 -1.569 -6.383 -1.916 1.00 0.00 C ATOM 583 CG GLU A 36 -1.407 -6.874 -3.352 1.00 0.00 C ATOM 584 CD GLU A 36 0.003 -6.737 -3.899 1.00 0.00 C ATOM 585 OE1 GLU A 36 0.806 -7.677 -3.722 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.297 -5.710 -4.551 1.00 0.00 O ATOM 0 H GLU A 36 -3.508 -5.054 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.240 -7.640 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.309 -5.326 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.869 -6.915 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.704 -7.921 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.090 -6.318 -3.994 1.00 0.00 H new ATOM 593 N LEU A 37 -3.693 -5.055 0.365 1.00 0.00 N ATOM 594 CA LEU A 37 -3.943 -4.615 1.731 1.00 0.00 C ATOM 595 C LEU A 37 -5.206 -5.262 2.286 1.00 0.00 C ATOM 596 O LEU A 37 -5.225 -5.712 3.429 1.00 0.00 O ATOM 597 CB LEU A 37 -4.066 -3.088 1.776 1.00 0.00 C ATOM 598 CG LEU A 37 -4.472 -2.488 3.123 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.431 -2.780 4.191 1.00 0.00 C ATOM 600 CD2 LEU A 37 -4.682 -0.992 2.982 1.00 0.00 C ATOM 0 H LEU A 37 -4.005 -4.397 -0.349 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.102 -4.923 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.109 -2.657 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.797 -2.780 1.028 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.408 -2.951 3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.747 -2.341 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.324 -3.858 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.474 -2.351 3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.971 -0.573 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.756 -0.525 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.470 -0.802 2.253 1.00 0.00 H new ATOM 612 N GLU A 38 -6.255 -5.326 1.470 1.00 0.00 N ATOM 613 CA GLU A 38 -7.520 -5.900 1.914 1.00 0.00 C ATOM 614 C GLU A 38 -7.396 -7.405 2.139 1.00 0.00 C ATOM 615 O GLU A 38 -8.171 -7.989 2.899 1.00 0.00 O ATOM 616 CB GLU A 38 -8.647 -5.610 0.916 1.00 0.00 C ATOM 617 CG GLU A 38 -8.429 -6.223 -0.455 1.00 0.00 C ATOM 618 CD GLU A 38 -9.661 -6.147 -1.330 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.514 -7.054 -1.227 1.00 0.00 O ATOM 620 OE2 GLU A 38 -9.778 -5.192 -2.129 1.00 0.00 O ATOM 0 H GLU A 38 -6.254 -4.991 0.507 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.771 -5.427 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.586 -5.984 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.754 -4.531 0.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.604 -5.711 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.134 -7.266 -0.340 1.00 0.00 H new ATOM 627 N LYS A 39 -6.435 -8.042 1.469 1.00 0.00 N ATOM 628 CA LYS A 39 -6.188 -9.464 1.697 1.00 0.00 C ATOM 629 C LYS A 39 -5.292 -9.671 2.922 1.00 0.00 C ATOM 630 O LYS A 39 -5.136 -10.794 3.407 1.00 0.00 O ATOM 631 CB LYS A 39 -5.602 -10.138 0.439 1.00 0.00 C ATOM 632 CG LYS A 39 -4.254 -9.596 -0.018 1.00 0.00 C ATOM 633 CD LYS A 39 -3.089 -10.328 0.627 1.00 0.00 C ATOM 634 CE LYS A 39 -3.084 -11.803 0.259 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.917 -12.514 0.838 1.00 0.00 N ATOM 0 H LYS A 39 -5.826 -7.605 0.777 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.144 -9.946 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.500 -11.206 0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.315 -10.029 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.179 -9.682 -1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.191 -8.535 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.151 -9.870 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.147 -10.223 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.004 -12.268 0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.070 -11.906 -0.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.111 -13.535 0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.076 -12.336 0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.745 -12.170 1.804 1.00 0.00 H new ATOM 649 N ILE A 40 -4.715 -8.584 3.429 1.00 0.00 N ATOM 650 CA ILE A 40 -3.944 -8.636 4.664 1.00 0.00 C ATOM 651 C ILE A 40 -4.899 -8.576 5.855 1.00 0.00 C ATOM 652 O ILE A 40 -5.915 -7.881 5.812 1.00 0.00 O ATOM 653 CB ILE A 40 -2.877 -7.495 4.741 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.474 -8.060 4.504 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.916 -6.759 6.076 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.272 -8.674 3.138 1.00 0.00 C ATOM 0 H ILE A 40 -4.768 -7.659 3.003 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.392 -9.576 4.686 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.120 -6.777 3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.746 -7.261 4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.266 -8.815 5.263 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.158 -5.976 6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.900 -6.312 6.216 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.718 -7.462 6.885 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.252 -9.049 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.974 -9.497 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.445 -7.919 2.371 1.00 0.00 H new ATOM 668 N SER A 41 -4.591 -9.330 6.899 1.00 0.00 N ATOM 669 CA SER A 41 -5.461 -9.400 8.061 1.00 0.00 C ATOM 670 C SER A 41 -5.435 -8.086 8.839 1.00 0.00 C ATOM 671 O SER A 41 -4.388 -7.446 8.960 1.00 0.00 O ATOM 672 CB SER A 41 -5.028 -10.560 8.956 1.00 0.00 C ATOM 673 OG SER A 41 -4.983 -11.775 8.221 1.00 0.00 O ATOM 0 H SER A 41 -3.748 -9.900 6.965 1.00 0.00 H new ATOM 0 HA SER A 41 -6.484 -9.570 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.046 -10.350 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.722 -10.660 9.790 1.00 0.00 H new ATOM 0 HG SER A 41 -4.702 -12.505 8.812 1.00 0.00 H new ATOM 679 N PHE A 42 -6.585 -7.695 9.380 1.00 0.00 N ATOM 680 CA PHE A 42 -6.693 -6.452 10.139 1.00 0.00 C ATOM 681 C PHE A 42 -5.862 -6.525 11.412 1.00 0.00 C ATOM 682 O PHE A 42 -5.503 -5.505 11.997 1.00 0.00 O ATOM 683 CB PHE A 42 -8.155 -6.154 10.482 1.00 0.00 C ATOM 684 CG PHE A 42 -8.990 -5.776 9.292 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.628 -6.746 8.534 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.140 -4.446 8.936 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.400 -6.394 7.444 1.00 0.00 C ATOM 688 CE2 PHE A 42 -9.910 -4.088 7.848 1.00 0.00 C ATOM 689 CZ PHE A 42 -10.541 -5.064 7.099 1.00 0.00 C ATOM 0 H PHE A 42 -7.456 -8.221 9.307 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.308 -5.643 9.518 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.593 -7.031 10.958 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.190 -5.345 11.211 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.520 -7.788 8.799 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.648 -3.680 9.517 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.893 -7.158 6.862 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.020 -3.047 7.582 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.143 -4.787 6.246 1.00 0.00 H new ATOM 699 N SER A 43 -5.556 -7.745 11.828 1.00 0.00 N ATOM 700 CA SER A 43 -4.721 -7.975 12.996 1.00 0.00 C ATOM 701 C SER A 43 -3.249 -7.708 12.672 1.00 0.00 C ATOM 702 O SER A 43 -2.424 -7.526 13.571 1.00 0.00 O ATOM 703 CB SER A 43 -4.889 -9.419 13.466 1.00 0.00 C ATOM 704 OG SER A 43 -6.261 -9.777 13.540 1.00 0.00 O ATOM 0 H SER A 43 -5.877 -8.597 11.369 1.00 0.00 H new ATOM 0 HA SER A 43 -5.031 -7.291 13.786 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.371 -10.090 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.425 -9.542 14.444 1.00 0.00 H new ATOM 0 HG SER A 43 -6.341 -10.706 13.841 1.00 0.00 H new ATOM 710 N ASP A 44 -2.933 -7.673 11.383 1.00 0.00 N ATOM 711 CA ASP A 44 -1.555 -7.546 10.936 1.00 0.00 C ATOM 712 C ASP A 44 -1.264 -6.126 10.465 1.00 0.00 C ATOM 713 O ASP A 44 -0.151 -5.626 10.624 1.00 0.00 O ATOM 714 CB ASP A 44 -1.278 -8.550 9.816 1.00 0.00 C ATOM 715 CG ASP A 44 0.180 -8.595 9.411 1.00 0.00 C ATOM 716 OD1 ASP A 44 1.045 -8.730 10.304 1.00 0.00 O ATOM 717 OD2 ASP A 44 0.466 -8.541 8.194 1.00 0.00 O ATOM 0 H ASP A 44 -3.616 -7.731 10.628 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.896 -7.761 11.777 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.591 -9.543 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.883 -8.293 8.947 1.00 0.00 H new ATOM 722 N LEU A 45 -2.268 -5.476 9.889 1.00 0.00 N ATOM 723 CA LEU A 45 -2.118 -4.096 9.449 1.00 0.00 C ATOM 724 C LEU A 45 -2.217 -3.140 10.644 1.00 0.00 C ATOM 725 O LEU A 45 -2.918 -3.422 11.617 1.00 0.00 O ATOM 726 CB LEU A 45 -3.154 -3.758 8.357 1.00 0.00 C ATOM 727 CG LEU A 45 -4.622 -4.061 8.682 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.250 -2.941 9.491 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.412 -4.295 7.403 1.00 0.00 C ATOM 0 H LEU A 45 -3.189 -5.880 9.717 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.129 -3.972 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.069 -2.696 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.886 -4.305 7.453 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.650 -4.969 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.290 -3.186 9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.706 -2.819 10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.206 -2.012 8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.452 -4.509 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.364 -3.404 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.987 -5.141 6.862 1.00 0.00 H new ATOM 741 N PRO A 46 -1.493 -2.007 10.594 1.00 0.00 N ATOM 742 CA PRO A 46 -1.430 -1.046 11.705 1.00 0.00 C ATOM 743 C PRO A 46 -2.797 -0.493 12.108 1.00 0.00 C ATOM 744 O PRO A 46 -3.731 -0.452 11.303 1.00 0.00 O ATOM 745 CB PRO A 46 -0.542 0.080 11.165 1.00 0.00 C ATOM 746 CG PRO A 46 -0.528 -0.100 9.686 1.00 0.00 C ATOM 747 CD PRO A 46 -0.673 -1.573 9.452 1.00 0.00 C ATOM 0 HA PRO A 46 -1.047 -1.520 12.609 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.939 1.058 11.438 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.465 0.018 11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.342 0.452 9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.401 0.275 9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.161 -1.785 8.501 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.294 -2.076 9.434 1.00 0.00 H new ATOM 755 N LEU A 47 -2.889 -0.040 13.357 1.00 0.00 N ATOM 756 CA LEU A 47 -4.137 0.470 13.925 1.00 0.00 C ATOM 757 C LEU A 47 -4.636 1.691 13.156 1.00 0.00 C ATOM 758 O LEU A 47 -5.837 1.955 13.099 1.00 0.00 O ATOM 759 CB LEU A 47 -3.934 0.827 15.399 1.00 0.00 C ATOM 760 CG LEU A 47 -5.160 1.405 16.113 1.00 0.00 C ATOM 761 CD1 LEU A 47 -6.302 0.405 16.114 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.800 1.806 17.535 1.00 0.00 C ATOM 0 H LEU A 47 -2.101 -0.016 14.004 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.891 -0.313 13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.614 -0.069 15.931 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.120 1.548 15.471 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.487 2.293 15.573 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.162 0.836 16.626 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.575 0.163 15.087 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.990 -0.503 16.630 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.680 2.215 18.031 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.449 0.931 18.082 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.013 2.560 17.512 1.00 0.00 H new ATOM 774 N GLU A 48 -3.703 2.419 12.560 1.00 0.00 N ATOM 775 CA GLU A 48 -4.025 3.595 11.762 1.00 0.00 C ATOM 776 C GLU A 48 -4.989 3.224 10.636 1.00 0.00 C ATOM 777 O GLU A 48 -5.969 3.926 10.379 1.00 0.00 O ATOM 778 CB GLU A 48 -2.742 4.208 11.177 1.00 0.00 C ATOM 779 CG GLU A 48 -1.811 4.843 12.209 1.00 0.00 C ATOM 780 CD GLU A 48 -1.378 3.883 13.303 1.00 0.00 C ATOM 781 OE1 GLU A 48 -0.941 2.759 12.975 1.00 0.00 O ATOM 782 OE2 GLU A 48 -1.507 4.237 14.497 1.00 0.00 O ATOM 0 H GLU A 48 -2.705 2.213 12.615 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.505 4.331 12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.195 3.431 10.643 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.019 4.965 10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.926 5.227 11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.313 5.697 12.663 1.00 0.00 H new ATOM 789 N LEU A 49 -4.727 2.090 9.996 1.00 0.00 N ATOM 790 CA LEU A 49 -5.551 1.635 8.886 1.00 0.00 C ATOM 791 C LEU A 49 -6.870 1.073 9.403 1.00 0.00 C ATOM 792 O LEU A 49 -7.883 1.109 8.715 1.00 0.00 O ATOM 793 CB LEU A 49 -4.814 0.571 8.067 1.00 0.00 C ATOM 794 CG LEU A 49 -3.416 0.966 7.585 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.832 -0.120 6.696 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.449 2.297 6.851 1.00 0.00 C ATOM 0 H LEU A 49 -3.951 1.470 10.228 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.758 2.489 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.730 -0.333 8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.422 0.320 7.198 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.776 1.079 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.838 0.178 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.762 -1.052 7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.477 -0.266 5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.443 2.555 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.108 2.219 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.820 3.073 7.521 1.00 0.00 H new ATOM 808 N GLN A 50 -6.846 0.570 10.632 1.00 0.00 N ATOM 809 CA GLN A 50 -8.042 0.019 11.260 1.00 0.00 C ATOM 810 C GLN A 50 -9.057 1.124 11.544 1.00 0.00 C ATOM 811 O GLN A 50 -10.267 0.887 11.538 1.00 0.00 O ATOM 812 CB GLN A 50 -7.682 -0.704 12.561 1.00 0.00 C ATOM 813 CG GLN A 50 -6.725 -1.867 12.368 1.00 0.00 C ATOM 814 CD GLN A 50 -6.386 -2.574 13.664 1.00 0.00 C ATOM 815 OE1 GLN A 50 -7.193 -2.627 14.591 1.00 0.00 O ATOM 816 NE2 GLN A 50 -5.185 -3.125 13.733 1.00 0.00 N ATOM 0 H GLN A 50 -6.010 0.532 11.215 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.487 -0.698 10.570 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.236 0.011 13.252 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.596 -1.071 13.028 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.166 -2.583 11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.806 -1.502 11.908 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.547 -3.057 12.940 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.898 -3.617 14.579 1.00 0.00 H new ATOM 825 N LYS A 51 -8.554 2.331 11.787 1.00 0.00 N ATOM 826 CA LYS A 51 -9.410 3.479 12.052 1.00 0.00 C ATOM 827 C LYS A 51 -9.933 4.080 10.753 1.00 0.00 C ATOM 828 O LYS A 51 -11.051 4.589 10.701 1.00 0.00 O ATOM 829 CB LYS A 51 -8.650 4.538 12.849 1.00 0.00 C ATOM 830 CG LYS A 51 -8.212 4.055 14.219 1.00 0.00 C ATOM 831 CD LYS A 51 -7.424 5.119 14.960 1.00 0.00 C ATOM 832 CE LYS A 51 -7.048 4.659 16.359 1.00 0.00 C ATOM 833 NZ LYS A 51 -8.244 4.432 17.217 1.00 0.00 N ATOM 0 H LYS A 51 -7.555 2.538 11.805 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.261 3.136 12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.772 4.849 12.283 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.282 5.418 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.088 3.776 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.602 3.158 14.111 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.521 5.361 14.400 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.014 6.033 15.023 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.470 3.737 16.293 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.405 5.406 16.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.948 4.353 18.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.902 5.231 17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.718 3.553 16.926 1.00 0.00 H new ATOM 847 N LEU A 52 -9.116 4.022 9.709 1.00 0.00 N ATOM 848 CA LEU A 52 -9.521 4.505 8.394 1.00 0.00 C ATOM 849 C LEU A 52 -10.642 3.636 7.835 1.00 0.00 C ATOM 850 O LEU A 52 -10.440 2.464 7.514 1.00 0.00 O ATOM 851 CB LEU A 52 -8.320 4.519 7.445 1.00 0.00 C ATOM 852 CG LEU A 52 -7.191 5.469 7.852 1.00 0.00 C ATOM 853 CD1 LEU A 52 -5.984 5.285 6.947 1.00 0.00 C ATOM 854 CD2 LEU A 52 -7.669 6.913 7.813 1.00 0.00 C ATOM 0 H LEU A 52 -8.169 3.645 9.747 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.895 5.524 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.918 3.508 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.666 4.794 6.448 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.894 5.230 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.192 5.969 7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.626 4.258 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.267 5.495 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.853 7.574 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.993 7.162 6.803 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.503 7.039 8.503 1.00 0.00 H new ATOM 866 N ASP A 53 -11.828 4.218 7.735 1.00 0.00 N ATOM 867 CA ASP A 53 -13.018 3.492 7.306 1.00 0.00 C ATOM 868 C ASP A 53 -12.980 3.200 5.810 1.00 0.00 C ATOM 869 O ASP A 53 -13.741 2.370 5.312 1.00 0.00 O ATOM 870 CB ASP A 53 -14.269 4.304 7.637 1.00 0.00 C ATOM 871 CG ASP A 53 -14.403 5.545 6.776 1.00 0.00 C ATOM 872 OD1 ASP A 53 -13.639 6.512 6.991 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.278 5.565 5.885 1.00 0.00 O ATOM 0 H ASP A 53 -11.994 5.202 7.947 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.043 2.542 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.151 3.677 7.504 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.241 4.596 8.687 1.00 0.00 H new ATOM 878 N SER A 54 -12.099 3.884 5.102 1.00 0.00 N ATOM 879 CA SER A 54 -12.005 3.742 3.664 1.00 0.00 C ATOM 880 C SER A 54 -10.704 3.052 3.256 1.00 0.00 C ATOM 881 O SER A 54 -9.615 3.446 3.678 1.00 0.00 O ATOM 882 CB SER A 54 -12.115 5.121 3.014 1.00 0.00 C ATOM 883 OG SER A 54 -11.291 6.062 3.677 1.00 0.00 O ATOM 0 H SER A 54 -11.436 4.546 5.504 1.00 0.00 H new ATOM 0 HA SER A 54 -12.825 3.112 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.827 5.056 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.151 5.458 3.040 1.00 0.00 H new ATOM 0 HG SER A 54 -11.377 6.936 3.242 1.00 0.00 H new ATOM 889 N LEU A 55 -10.836 2.012 2.440 1.00 0.00 N ATOM 890 CA LEU A 55 -9.686 1.274 1.923 1.00 0.00 C ATOM 891 C LEU A 55 -8.714 2.188 1.155 1.00 0.00 C ATOM 892 O LEU A 55 -7.502 2.112 1.371 1.00 0.00 O ATOM 893 CB LEU A 55 -10.164 0.128 1.024 1.00 0.00 C ATOM 894 CG LEU A 55 -9.062 -0.785 0.481 1.00 0.00 C ATOM 895 CD1 LEU A 55 -8.336 -1.486 1.617 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.648 -1.806 -0.480 1.00 0.00 C ATOM 0 H LEU A 55 -11.737 1.657 2.119 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.142 0.865 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.872 -0.481 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.708 0.553 0.181 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.342 -0.169 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.557 -2.130 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.885 -0.743 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.045 -2.089 2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.853 -2.448 -0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.388 -2.413 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.124 -1.290 -1.313 1.00 0.00 H new ATOM 908 N PRO A 56 -9.209 3.058 0.237 1.00 0.00 N ATOM 909 CA PRO A 56 -8.353 4.006 -0.487 1.00 0.00 C ATOM 910 C PRO A 56 -7.497 4.863 0.445 1.00 0.00 C ATOM 911 O PRO A 56 -6.316 5.079 0.183 1.00 0.00 O ATOM 912 CB PRO A 56 -9.339 4.892 -1.265 1.00 0.00 C ATOM 913 CG PRO A 56 -10.682 4.592 -0.691 1.00 0.00 C ATOM 914 CD PRO A 56 -10.610 3.178 -0.203 1.00 0.00 C ATOM 0 HA PRO A 56 -7.643 3.480 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.091 5.947 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.309 4.669 -2.332 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.921 5.275 0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.463 4.707 -1.442 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.308 2.996 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.849 2.465 -0.992 1.00 0.00 H new ATOM 922 N ALA A 57 -8.088 5.333 1.541 1.00 0.00 N ATOM 923 CA ALA A 57 -7.371 6.185 2.485 1.00 0.00 C ATOM 924 C ALA A 57 -6.262 5.409 3.181 1.00 0.00 C ATOM 925 O ALA A 57 -5.192 5.955 3.459 1.00 0.00 O ATOM 926 CB ALA A 57 -8.323 6.775 3.508 1.00 0.00 C ATOM 0 H ALA A 57 -9.056 5.139 1.796 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.919 7.002 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.767 7.406 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.079 7.373 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.808 5.970 4.060 1.00 0.00 H new ATOM 932 N GLN A 58 -6.523 4.135 3.456 1.00 0.00 N ATOM 933 CA GLN A 58 -5.524 3.260 4.059 1.00 0.00 C ATOM 934 C GLN A 58 -4.292 3.165 3.168 1.00 0.00 C ATOM 935 O GLN A 58 -3.172 3.451 3.600 1.00 0.00 O ATOM 936 CB GLN A 58 -6.106 1.865 4.293 1.00 0.00 C ATOM 937 CG GLN A 58 -7.195 1.821 5.349 1.00 0.00 C ATOM 938 CD GLN A 58 -7.790 0.436 5.507 1.00 0.00 C ATOM 939 OE1 GLN A 58 -7.121 -0.567 5.271 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.040 0.369 5.932 1.00 0.00 N ATOM 0 H GLN A 58 -7.419 3.685 3.270 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.232 3.685 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.510 1.488 3.353 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.301 1.191 4.587 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.785 2.148 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.984 2.524 5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.562 1.225 6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.482 -0.539 6.075 1.00 0.00 H new ATOM 949 N ALA A 59 -4.515 2.788 1.914 1.00 0.00 N ATOM 950 CA ALA A 59 -3.436 2.649 0.945 1.00 0.00 C ATOM 951 C ALA A 59 -2.747 3.988 0.696 1.00 0.00 C ATOM 952 O ALA A 59 -1.528 4.050 0.542 1.00 0.00 O ATOM 953 CB ALA A 59 -3.974 2.081 -0.359 1.00 0.00 C ATOM 0 H ALA A 59 -5.440 2.572 1.543 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.697 1.960 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.159 1.981 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.417 1.102 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.732 2.752 -0.763 1.00 0.00 H new ATOM 959 N GLN A 60 -3.534 5.057 0.670 1.00 0.00 N ATOM 960 CA GLN A 60 -3.006 6.393 0.434 1.00 0.00 C ATOM 961 C GLN A 60 -2.068 6.813 1.560 1.00 0.00 C ATOM 962 O GLN A 60 -0.997 7.360 1.305 1.00 0.00 O ATOM 963 CB GLN A 60 -4.151 7.401 0.287 1.00 0.00 C ATOM 964 CG GLN A 60 -3.698 8.810 -0.068 1.00 0.00 C ATOM 965 CD GLN A 60 -2.872 8.865 -1.339 1.00 0.00 C ATOM 966 OE1 GLN A 60 -3.410 8.990 -2.441 1.00 0.00 O ATOM 967 NE2 GLN A 60 -1.558 8.791 -1.193 1.00 0.00 N ATOM 0 H GLN A 60 -4.544 5.023 0.810 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.435 6.375 -0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.836 7.046 -0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.712 7.436 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.574 9.449 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.113 9.216 0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.153 8.688 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.951 8.837 -2.011 1.00 0.00 H new ATOM 976 N HIS A 61 -2.457 6.532 2.800 1.00 0.00 N ATOM 977 CA HIS A 61 -1.643 6.906 3.951 1.00 0.00 C ATOM 978 C HIS A 61 -0.351 6.095 3.968 1.00 0.00 C ATOM 979 O HIS A 61 0.694 6.581 4.411 1.00 0.00 O ATOM 980 CB HIS A 61 -2.416 6.714 5.259 1.00 0.00 C ATOM 981 CG HIS A 61 -1.759 7.363 6.443 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.949 8.688 6.780 1.00 0.00 N ATOM 983 CD2 HIS A 61 -0.903 6.864 7.367 1.00 0.00 C ATOM 984 CE1 HIS A 61 -1.240 8.973 7.855 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.598 7.885 8.233 1.00 0.00 N ATOM 0 H HIS A 61 -3.325 6.050 3.033 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.393 7.963 3.863 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.420 7.122 5.142 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.526 5.647 5.454 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.530 5.852 7.414 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.193 9.935 8.343 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.024 7.813 9.038 1.00 0.00 H new ATOM 994 N LEU A 62 -0.426 4.858 3.481 1.00 0.00 N ATOM 995 CA LEU A 62 0.764 4.035 3.307 1.00 0.00 C ATOM 996 C LEU A 62 1.732 4.735 2.367 1.00 0.00 C ATOM 997 O LEU A 62 2.924 4.842 2.647 1.00 0.00 O ATOM 998 CB LEU A 62 0.396 2.661 2.742 1.00 0.00 C ATOM 999 CG LEU A 62 -0.379 1.745 3.690 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.856 0.500 2.957 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.488 1.360 4.878 1.00 0.00 C ATOM 0 H LEU A 62 -1.297 4.407 3.201 1.00 0.00 H new ATOM 0 HA LEU A 62 1.235 3.892 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.197 2.806 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.313 2.153 2.443 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.252 2.285 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.406 -0.140 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.508 0.790 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.004 -0.043 2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.077 0.708 5.544 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.377 0.837 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.786 2.259 5.417 1.00 0.00 H new ATOM 1013 N ILE A 63 1.186 5.230 1.264 1.00 0.00 N ATOM 1014 CA ILE A 63 1.947 5.984 0.277 1.00 0.00 C ATOM 1015 C ILE A 63 2.528 7.258 0.890 1.00 0.00 C ATOM 1016 O ILE A 63 3.650 7.653 0.575 1.00 0.00 O ATOM 1017 CB ILE A 63 1.054 6.350 -0.933 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.674 5.090 -1.713 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.746 7.351 -1.841 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.294 5.344 -2.850 1.00 0.00 C ATOM 0 H ILE A 63 0.200 5.119 1.028 1.00 0.00 H new ATOM 0 HA ILE A 63 2.769 5.353 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 63 0.144 6.815 -0.555 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.580 4.635 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.232 4.368 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.095 7.590 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.963 8.261 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.677 6.922 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.516 4.404 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.216 5.770 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.153 6.041 -3.559 1.00 0.00 H new ATOM 1032 N ASP A 64 1.757 7.884 1.775 1.00 0.00 N ATOM 1033 CA ASP A 64 2.169 9.135 2.410 1.00 0.00 C ATOM 1034 C ASP A 64 3.467 8.956 3.177 1.00 0.00 C ATOM 1035 O ASP A 64 4.324 9.841 3.179 1.00 0.00 O ATOM 1036 CB ASP A 64 1.091 9.660 3.366 1.00 0.00 C ATOM 1037 CG ASP A 64 -0.136 10.180 2.650 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.010 11.020 1.737 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -1.256 9.783 3.022 1.00 0.00 O ATOM 0 H ASP A 64 0.841 7.545 2.070 1.00 0.00 H new ATOM 0 HA ASP A 64 2.318 9.861 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.796 8.860 4.046 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.513 10.458 3.977 1.00 0.00 H new ATOM 1044 N THR A 65 3.610 7.818 3.837 1.00 0.00 N ATOM 1045 CA THR A 65 4.820 7.542 4.589 1.00 0.00 C ATOM 1046 C THR A 65 5.697 6.494 3.882 1.00 0.00 C ATOM 1047 O THR A 65 6.632 6.864 3.172 1.00 0.00 O ATOM 1048 CB THR A 65 4.502 7.144 6.062 1.00 0.00 C ATOM 1049 OG1 THR A 65 5.673 6.639 6.724 1.00 0.00 O ATOM 1050 CG2 THR A 65 3.373 6.119 6.155 1.00 0.00 C ATOM 0 H THR A 65 2.909 7.077 3.867 1.00 0.00 H new ATOM 0 HA THR A 65 5.399 8.465 4.629 1.00 0.00 H new ATOM 0 HB THR A 65 4.170 8.053 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.449 6.398 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.189 5.874 7.201 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.467 6.535 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.657 5.215 5.615 1.00 0.00 H new ATOM 1058 N SER A 66 5.331 5.217 4.018 1.00 0.00 N ATOM 1059 CA SER A 66 6.124 4.056 3.582 1.00 0.00 C ATOM 1060 C SER A 66 5.590 2.821 4.295 1.00 0.00 C ATOM 1061 O SER A 66 4.743 2.943 5.182 1.00 0.00 O ATOM 1062 CB SER A 66 7.616 4.173 3.935 1.00 0.00 C ATOM 1063 OG SER A 66 8.317 5.060 3.082 1.00 0.00 O ATOM 0 H SER A 66 4.446 4.950 4.448 1.00 0.00 H new ATOM 0 HA SER A 66 6.036 3.997 2.497 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.715 4.514 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.075 3.186 3.881 1.00 0.00 H new ATOM 0 HG SER A 66 7.885 5.939 3.098 1.00 0.00 H new ATOM 1069 N CYS A 67 6.097 1.648 3.923 1.00 0.00 N ATOM 1070 CA CYS A 67 5.782 0.405 4.621 1.00 0.00 C ATOM 1071 C CYS A 67 6.506 -0.757 3.957 1.00 0.00 C ATOM 1072 O CYS A 67 6.854 -0.688 2.779 1.00 0.00 O ATOM 1073 CB CYS A 67 4.269 0.136 4.621 1.00 0.00 C ATOM 1074 SG CYS A 67 3.759 -1.283 5.625 1.00 0.00 S ATOM 0 H CYS A 67 6.734 1.533 3.134 1.00 0.00 H new ATOM 0 HA CYS A 67 6.113 0.504 5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.754 1.026 4.984 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.941 -0.025 3.594 1.00 0.00 H new ATOM 0 HG CYS A 67 2.468 -1.420 5.558 1.00 0.00 H new ATOM 1080 N GLU A 68 6.765 -1.802 4.724 1.00 0.00 N ATOM 1081 CA GLU A 68 7.259 -3.045 4.166 1.00 0.00 C ATOM 1082 C GLU A 68 6.160 -4.082 4.285 1.00 0.00 C ATOM 1083 O GLU A 68 5.729 -4.414 5.391 1.00 0.00 O ATOM 1084 CB GLU A 68 8.522 -3.508 4.891 1.00 0.00 C ATOM 1085 CG GLU A 68 9.186 -4.712 4.241 1.00 0.00 C ATOM 1086 CD GLU A 68 10.467 -5.109 4.938 1.00 0.00 C ATOM 1087 OE1 GLU A 68 11.510 -4.478 4.672 1.00 0.00 O ATOM 1088 OE2 GLU A 68 10.441 -6.057 5.750 1.00 0.00 O ATOM 0 H GLU A 68 6.641 -1.812 5.736 1.00 0.00 H new ATOM 0 HA GLU A 68 7.526 -2.900 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.235 -2.684 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.270 -3.754 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.494 -5.554 4.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.399 -4.486 3.196 1.00 0.00 H new ATOM 1095 N LEU A 69 5.693 -4.577 3.155 1.00 0.00 N ATOM 1096 CA LEU A 69 4.504 -5.415 3.140 1.00 0.00 C ATOM 1097 C LEU A 69 4.805 -6.816 2.625 1.00 0.00 C ATOM 1098 O LEU A 69 5.207 -6.991 1.475 1.00 0.00 O ATOM 1099 CB LEU A 69 3.426 -4.757 2.269 1.00 0.00 C ATOM 1100 CG LEU A 69 2.108 -5.526 2.154 1.00 0.00 C ATOM 1101 CD1 LEU A 69 1.419 -5.627 3.505 1.00 0.00 C ATOM 1102 CD2 LEU A 69 1.194 -4.857 1.141 1.00 0.00 C ATOM 0 H LEU A 69 6.114 -4.416 2.240 1.00 0.00 H new ATOM 0 HA LEU A 69 4.146 -5.512 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.214 -3.766 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.831 -4.614 1.267 1.00 0.00 H new ATOM 0 HG LEU A 69 2.331 -6.536 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.485 -6.178 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.069 -6.150 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.208 -4.626 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.260 -5.415 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.983 -3.836 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.682 -4.840 0.166 1.00 0.00 H new ATOM 1114 N ASP A 70 4.627 -7.806 3.487 1.00 0.00 N ATOM 1115 CA ASP A 70 4.669 -9.198 3.062 1.00 0.00 C ATOM 1116 C ASP A 70 3.317 -9.548 2.469 1.00 0.00 C ATOM 1117 O ASP A 70 2.300 -9.528 3.166 1.00 0.00 O ATOM 1118 CB ASP A 70 4.988 -10.132 4.234 1.00 0.00 C ATOM 1119 CG ASP A 70 5.219 -11.571 3.795 1.00 0.00 C ATOM 1120 OD1 ASP A 70 4.359 -12.141 3.090 1.00 0.00 O ATOM 1121 OD2 ASP A 70 6.257 -12.151 4.178 1.00 0.00 O ATOM 0 H ASP A 70 4.452 -7.672 4.483 1.00 0.00 H new ATOM 0 HA ASP A 70 5.459 -9.327 2.322 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.875 -9.768 4.752 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.167 -10.103 4.950 1.00 0.00 H new ATOM 1126 N VAL A 71 3.301 -9.856 1.186 1.00 0.00 N ATOM 1127 CA VAL A 71 2.047 -10.052 0.475 1.00 0.00 C ATOM 1128 C VAL A 71 1.534 -11.487 0.614 1.00 0.00 C ATOM 1129 O VAL A 71 0.561 -11.876 -0.032 1.00 0.00 O ATOM 1130 CB VAL A 71 2.188 -9.685 -1.016 1.00 0.00 C ATOM 1131 CG1 VAL A 71 2.760 -8.284 -1.171 1.00 0.00 C ATOM 1132 CG2 VAL A 71 3.045 -10.701 -1.747 1.00 0.00 C ATOM 0 H VAL A 71 4.137 -9.976 0.615 1.00 0.00 H new ATOM 0 HA VAL A 71 1.317 -9.385 0.933 1.00 0.00 H new ATOM 0 HB VAL A 71 1.194 -9.700 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.852 -8.044 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.096 -7.565 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.743 -8.238 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.128 -10.419 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.038 -10.729 -1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.585 -11.686 -1.672 1.00 0.00 H new ATOM 1142 N GLY A 72 2.193 -12.274 1.455 1.00 0.00 N ATOM 1143 CA GLY A 72 1.720 -13.615 1.740 1.00 0.00 C ATOM 1144 C GLY A 72 2.396 -14.673 0.895 1.00 0.00 C ATOM 1145 O GLY A 72 2.676 -15.771 1.371 1.00 0.00 O ATOM 0 H GLY A 72 3.047 -12.008 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.888 -13.837 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.644 -13.658 1.573 1.00 0.00 H new ATOM 1149 N ALA A 73 2.675 -14.335 -0.356 1.00 0.00 N ATOM 1150 CA ALA A 73 3.291 -15.275 -1.287 1.00 0.00 C ATOM 1151 C ALA A 73 4.815 -15.219 -1.208 1.00 0.00 C ATOM 1152 O ALA A 73 5.511 -15.608 -2.146 1.00 0.00 O ATOM 1153 CB ALA A 73 2.820 -14.978 -2.704 1.00 0.00 C ATOM 0 H ALA A 73 2.485 -13.415 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 73 2.984 -16.283 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.282 -15.682 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.736 -15.077 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.104 -13.962 -2.976 1.00 0.00 H new ATOM 1159 N GLY A 74 5.330 -14.731 -0.086 1.00 0.00 N ATOM 1160 CA GLY A 74 6.768 -14.632 0.092 1.00 0.00 C ATOM 1161 C GLY A 74 7.347 -13.403 -0.573 1.00 0.00 C ATOM 1162 O GLY A 74 8.544 -13.135 -0.471 1.00 0.00 O ATOM 0 H GLY A 74 4.777 -14.401 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.999 -14.609 1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.244 -15.522 -0.318 1.00 0.00 H new ATOM 1166 N LYS A 75 6.497 -12.657 -1.261 1.00 0.00 N ATOM 1167 CA LYS A 75 6.928 -11.442 -1.924 1.00 0.00 C ATOM 1168 C LYS A 75 6.797 -10.265 -0.972 1.00 0.00 C ATOM 1169 O LYS A 75 5.806 -10.150 -0.248 1.00 0.00 O ATOM 1170 CB LYS A 75 6.104 -11.171 -3.187 1.00 0.00 C ATOM 1171 CG LYS A 75 5.979 -12.357 -4.133 1.00 0.00 C ATOM 1172 CD LYS A 75 5.264 -11.962 -5.420 1.00 0.00 C ATOM 1173 CE LYS A 75 3.880 -11.382 -5.149 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.236 -10.867 -6.388 1.00 0.00 N ATOM 0 H LYS A 75 5.507 -12.873 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 75 7.970 -11.570 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.104 -10.853 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.556 -10.339 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.970 -12.744 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.431 -13.161 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.865 -11.229 -5.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.171 -12.835 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.247 -12.149 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.962 -10.575 -4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.428 -10.263 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.926 -10.311 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.903 -11.666 -6.964 1.00 0.00 H new ATOM 1188 N TYR A 76 7.792 -9.399 -0.970 1.00 0.00 N ATOM 1189 CA TYR A 76 7.758 -8.215 -0.133 1.00 0.00 C ATOM 1190 C TYR A 76 7.631 -6.974 -0.994 1.00 0.00 C ATOM 1191 O TYR A 76 8.469 -6.714 -1.858 1.00 0.00 O ATOM 1192 CB TYR A 76 9.012 -8.135 0.742 1.00 0.00 C ATOM 1193 CG TYR A 76 9.116 -9.259 1.740 1.00 0.00 C ATOM 1194 CD1 TYR A 76 9.755 -10.447 1.416 1.00 0.00 C ATOM 1195 CD2 TYR A 76 8.566 -9.131 3.004 1.00 0.00 C ATOM 1196 CE1 TYR A 76 9.837 -11.482 2.324 1.00 0.00 C ATOM 1197 CE2 TYR A 76 8.647 -10.157 3.921 1.00 0.00 C ATOM 1198 CZ TYR A 76 9.281 -11.329 3.578 1.00 0.00 C ATOM 1199 OH TYR A 76 9.349 -12.358 4.487 1.00 0.00 O ATOM 0 H TYR A 76 8.634 -9.493 -1.538 1.00 0.00 H new ATOM 0 HA TYR A 76 6.890 -8.278 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.894 -8.144 0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 76 9.015 -7.184 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.195 -10.563 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.066 -8.213 3.276 1.00 0.00 H new ATOM 0 HE1 TYR A 76 10.332 -12.404 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.215 -10.041 4.904 1.00 0.00 H new ATOM 0 HH TYR A 76 8.444 -12.666 4.701 1.00 0.00 H new ATOM 1209 N LEU A 77 6.569 -6.227 -0.765 1.00 0.00 N ATOM 1210 CA LEU A 77 6.296 -5.028 -1.531 1.00 0.00 C ATOM 1211 C LEU A 77 6.956 -3.819 -0.879 1.00 0.00 C ATOM 1212 O LEU A 77 6.639 -3.465 0.258 1.00 0.00 O ATOM 1213 CB LEU A 77 4.785 -4.815 -1.645 1.00 0.00 C ATOM 1214 CG LEU A 77 4.352 -3.646 -2.527 1.00 0.00 C ATOM 1215 CD1 LEU A 77 4.890 -3.826 -3.939 1.00 0.00 C ATOM 1216 CD2 LEU A 77 2.836 -3.531 -2.541 1.00 0.00 C ATOM 0 H LEU A 77 5.875 -6.433 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 77 6.711 -5.147 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.335 -5.728 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.380 -4.662 -0.644 1.00 0.00 H new ATOM 0 HG LEU A 77 4.763 -2.724 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.575 -2.986 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.979 -3.867 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.502 -4.753 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.540 -2.694 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.405 -4.452 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.474 -3.365 -1.526 1.00 0.00 H new ATOM 1228 N GLN A 78 7.888 -3.206 -1.595 1.00 0.00 N ATOM 1229 CA GLN A 78 8.582 -2.023 -1.105 1.00 0.00 C ATOM 1230 C GLN A 78 8.535 -0.923 -2.155 1.00 0.00 C ATOM 1231 O GLN A 78 8.648 -1.195 -3.351 1.00 0.00 O ATOM 1232 CB GLN A 78 10.038 -2.356 -0.770 1.00 0.00 C ATOM 1233 CG GLN A 78 10.200 -3.525 0.187 1.00 0.00 C ATOM 1234 CD GLN A 78 11.653 -3.837 0.482 1.00 0.00 C ATOM 1235 OE1 GLN A 78 12.295 -4.603 -0.237 1.00 0.00 O ATOM 1236 NE2 GLN A 78 12.179 -3.260 1.549 1.00 0.00 N ATOM 0 H GLN A 78 8.182 -3.511 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 78 8.084 -1.679 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.571 -2.580 -1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.511 -1.475 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.683 -3.301 1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.721 -4.407 -0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.614 -2.631 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 78 13.150 -3.444 1.802 1.00 0.00 H new ATOM 1245 N TRP A 79 8.357 0.312 -1.714 1.00 0.00 N ATOM 1246 CA TRP A 79 8.319 1.444 -2.626 1.00 0.00 C ATOM 1247 C TRP A 79 8.847 2.696 -1.934 1.00 0.00 C ATOM 1248 O TRP A 79 8.723 2.837 -0.714 1.00 0.00 O ATOM 1249 CB TRP A 79 6.883 1.693 -3.130 1.00 0.00 C ATOM 1250 CG TRP A 79 5.989 2.346 -2.113 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.605 3.657 -2.092 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.383 1.734 -0.967 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.799 3.898 -1.008 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.649 2.735 -0.300 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.389 0.441 -0.440 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 3.933 2.481 0.864 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.681 0.193 0.720 1.00 0.00 C ATOM 1258 CH2 TRP A 79 3.962 1.208 1.358 1.00 0.00 C ATOM 0 H TRP A 79 8.237 0.556 -0.731 1.00 0.00 H new ATOM 0 HA TRP A 79 8.953 1.212 -3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.924 2.320 -4.020 1.00 0.00 H new ATOM 0 HB3 TRP A 79 6.443 0.742 -3.430 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.894 4.397 -2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.380 4.797 -0.768 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.937 -0.350 -0.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.374 3.261 1.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.683 -0.802 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.417 0.980 2.262 1.00 0.00 H new ATOM 1269 N TYR A 80 9.474 3.576 -2.696 1.00 0.00 N ATOM 1270 CA TYR A 80 9.834 4.890 -2.190 1.00 0.00 C ATOM 1271 C TYR A 80 9.647 5.942 -3.274 1.00 0.00 C ATOM 1272 O TYR A 80 9.702 5.632 -4.468 1.00 0.00 O ATOM 1273 CB TYR A 80 11.261 4.917 -1.619 1.00 0.00 C ATOM 1274 CG TYR A 80 12.358 4.478 -2.566 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.749 3.147 -2.636 1.00 0.00 C ATOM 1276 CD2 TYR A 80 13.028 5.401 -3.362 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.770 2.744 -3.474 1.00 0.00 C ATOM 1278 CE2 TYR A 80 14.055 5.007 -4.199 1.00 0.00 C ATOM 1279 CZ TYR A 80 14.421 3.677 -4.253 1.00 0.00 C ATOM 1280 OH TYR A 80 15.453 3.283 -5.076 1.00 0.00 O ATOM 0 H TYR A 80 9.744 3.405 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 80 9.164 5.125 -1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.479 5.931 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.291 4.278 -0.737 1.00 0.00 H new ATOM 0 HD1 TYR A 80 12.245 2.414 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.741 6.442 -3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.057 1.704 -3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.569 5.736 -4.808 1.00 0.00 H new ATOM 0 HH TYR A 80 15.803 4.062 -5.557 1.00 0.00 H new ATOM 1290 N ALA A 81 9.403 7.175 -2.854 1.00 0.00 N ATOM 1291 CA ALA A 81 9.190 8.274 -3.780 1.00 0.00 C ATOM 1292 C ALA A 81 10.507 8.728 -4.387 1.00 0.00 C ATOM 1293 O ALA A 81 11.505 8.875 -3.681 1.00 0.00 O ATOM 1294 CB ALA A 81 8.505 9.437 -3.076 1.00 0.00 C ATOM 0 H ALA A 81 9.348 7.439 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 81 8.543 7.922 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.353 10.252 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.541 9.110 -2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.130 9.783 -2.253 1.00 0.00 H new ATOM 1300 N VAL A 82 10.508 8.937 -5.692 1.00 0.00 N ATOM 1301 CA VAL A 82 11.695 9.419 -6.375 1.00 0.00 C ATOM 1302 C VAL A 82 11.559 10.901 -6.714 1.00 0.00 C ATOM 1303 O VAL A 82 10.824 11.287 -7.624 1.00 0.00 O ATOM 1304 CB VAL A 82 12.004 8.603 -7.652 1.00 0.00 C ATOM 1305 CG1 VAL A 82 12.600 7.255 -7.280 1.00 0.00 C ATOM 1306 CG2 VAL A 82 10.751 8.415 -8.498 1.00 0.00 C ATOM 0 H VAL A 82 9.703 8.781 -6.298 1.00 0.00 H new ATOM 0 HA VAL A 82 12.533 9.287 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 82 12.730 9.159 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.814 6.689 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.523 7.407 -6.721 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.891 6.701 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.997 7.838 -9.389 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.997 7.883 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.361 9.389 -8.793 1.00 0.00 H new ATOM 1316 N ARG A 83 12.252 11.727 -5.944 1.00 0.00 N ATOM 1317 CA ARG A 83 12.256 13.164 -6.160 1.00 0.00 C ATOM 1318 C ARG A 83 13.682 13.689 -6.136 1.00 0.00 C ATOM 1319 O ARG A 83 14.403 13.520 -5.152 1.00 0.00 O ATOM 1320 CB ARG A 83 11.421 13.883 -5.098 1.00 0.00 C ATOM 1321 CG ARG A 83 9.924 13.676 -5.249 1.00 0.00 C ATOM 1322 CD ARG A 83 9.150 14.417 -4.175 1.00 0.00 C ATOM 1323 NE ARG A 83 9.425 15.854 -4.189 1.00 0.00 N ATOM 1324 CZ ARG A 83 8.812 16.735 -3.398 1.00 0.00 C ATOM 1325 NH1 ARG A 83 7.851 16.337 -2.572 1.00 0.00 N ATOM 1326 NH2 ARG A 83 9.142 18.018 -3.454 1.00 0.00 N ATOM 0 H ARG A 83 12.824 11.421 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 83 11.813 13.361 -7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.728 13.536 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.637 14.951 -5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.605 14.021 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.695 12.612 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.082 14.252 -4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.407 14.009 -3.197 1.00 0.00 H new ATOM 0 HE ARG A 83 10.127 16.202 -4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.580 15.354 -2.541 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.384 17.014 -1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.865 18.331 -4.102 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.673 18.692 -2.849 1.00 0.00 H new ATOM 1340 N LEU A 84 14.084 14.318 -7.223 1.00 0.00 N ATOM 1341 CA LEU A 84 15.429 14.851 -7.328 1.00 0.00 C ATOM 1342 C LEU A 84 15.422 16.354 -7.087 1.00 0.00 C ATOM 1343 O LEU A 84 16.339 16.887 -6.463 1.00 0.00 O ATOM 1344 CB LEU A 84 16.057 14.525 -8.696 1.00 0.00 C ATOM 1345 CG LEU A 84 15.326 15.067 -9.932 1.00 0.00 C ATOM 1346 CD1 LEU A 84 16.278 15.135 -11.117 1.00 0.00 C ATOM 1347 CD2 LEU A 84 14.129 14.195 -10.284 1.00 0.00 C ATOM 0 H LEU A 84 13.500 14.473 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 84 16.040 14.375 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.076 14.913 -8.705 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.128 13.441 -8.789 1.00 0.00 H new ATOM 0 HG LEU A 84 14.967 16.069 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.748 15.521 -11.988 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.111 15.796 -10.877 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.658 14.137 -11.336 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.629 14.601 -11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 84 14.467 13.181 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 84 13.432 14.178 -9.446 1.00 0.00 H new ATOM 1359 N GLU A 85 14.359 17.013 -7.556 1.00 0.00 N ATOM 1360 CA GLU A 85 14.203 18.466 -7.452 1.00 0.00 C ATOM 1361 C GLU A 85 15.321 19.186 -8.218 1.00 0.00 C ATOM 1362 O GLU A 85 15.147 19.571 -9.371 1.00 0.00 O ATOM 1363 CB GLU A 85 14.181 18.917 -5.983 1.00 0.00 C ATOM 1364 CG GLU A 85 13.291 18.070 -5.073 1.00 0.00 C ATOM 1365 CD GLU A 85 11.827 18.062 -5.476 1.00 0.00 C ATOM 1366 OE1 GLU A 85 11.103 19.018 -5.130 1.00 0.00 O ATOM 1367 OE2 GLU A 85 11.383 17.084 -6.114 1.00 0.00 O ATOM 0 H GLU A 85 13.578 16.551 -8.021 1.00 0.00 H new ATOM 0 HA GLU A 85 13.247 18.733 -7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.199 18.897 -5.595 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.843 19.952 -5.939 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.662 17.045 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.374 18.442 -4.052 1.00 0.00 H new ATOM 1374 N LYS A 86 16.471 19.341 -7.573 1.00 0.00 N ATOM 1375 CA LYS A 86 17.658 19.919 -8.200 1.00 0.00 C ATOM 1376 C LYS A 86 18.699 18.832 -8.426 1.00 0.00 C ATOM 1377 O LYS A 86 19.898 19.113 -8.452 1.00 0.00 O ATOM 1378 CB LYS A 86 18.269 20.992 -7.294 1.00 0.00 C ATOM 1379 CG LYS A 86 17.551 22.330 -7.305 1.00 0.00 C ATOM 1380 CD LYS A 86 18.182 23.279 -6.300 1.00 0.00 C ATOM 1381 CE LYS A 86 17.780 24.723 -6.548 1.00 0.00 C ATOM 1382 NZ LYS A 86 18.381 25.249 -7.801 1.00 0.00 N ATOM 0 H LYS A 86 16.609 19.070 -6.599 1.00 0.00 H new ATOM 0 HA LYS A 86 17.363 20.365 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.286 20.615 -6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.305 21.151 -7.593 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.596 22.765 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.497 22.186 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.886 22.989 -5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.267 23.191 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.694 24.794 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.095 25.339 -5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.334 26.288 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.374 24.947 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.856 24.881 -8.619 1.00 0.00 H new ATOM 1396 N LEU A 87 18.223 17.598 -8.613 1.00 0.00 N ATOM 1397 CA LEU A 87 19.061 16.394 -8.529 1.00 0.00 C ATOM 1398 C LEU A 87 19.449 16.174 -7.073 1.00 0.00 C ATOM 1399 O LEU A 87 19.163 15.124 -6.491 1.00 0.00 O ATOM 1400 CB LEU A 87 20.315 16.465 -9.422 1.00 0.00 C ATOM 1401 CG LEU A 87 20.080 16.268 -10.926 1.00 0.00 C ATOM 1402 CD1 LEU A 87 19.358 17.460 -11.538 1.00 0.00 C ATOM 1403 CD2 LEU A 87 21.400 16.020 -11.637 1.00 0.00 C ATOM 0 H LEU A 87 17.245 17.403 -8.827 1.00 0.00 H new ATOM 0 HA LEU A 87 18.479 15.551 -8.902 1.00 0.00 H new ATOM 0 HB2 LEU A 87 20.789 17.435 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 87 21.022 15.708 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 87 19.441 15.394 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 87 19.208 17.287 -12.604 1.00 0.00 H new ATOM 0 HD12 LEU A 87 18.391 17.589 -11.052 1.00 0.00 H new ATOM 0 HD13 LEU A 87 19.957 18.360 -11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 87 21.219 15.882 -12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 87 22.059 16.875 -11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 87 21.870 15.125 -11.230 1.00 0.00 H new ATOM 1415 N GLU A 88 20.084 17.181 -6.489 1.00 0.00 N ATOM 1416 CA GLU A 88 20.310 17.220 -5.059 1.00 0.00 C ATOM 1417 C GLU A 88 18.983 17.476 -4.353 1.00 0.00 C ATOM 1418 O GLU A 88 18.394 18.552 -4.480 1.00 0.00 O ATOM 1419 CB GLU A 88 21.310 18.325 -4.701 1.00 0.00 C ATOM 1420 CG GLU A 88 21.612 18.410 -3.213 1.00 0.00 C ATOM 1421 CD GLU A 88 22.292 19.707 -2.828 1.00 0.00 C ATOM 1422 OE1 GLU A 88 23.539 19.768 -2.849 1.00 0.00 O ATOM 1423 OE2 GLU A 88 21.578 20.676 -2.492 1.00 0.00 O ATOM 0 H GLU A 88 20.453 17.987 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 88 20.724 16.265 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 88 22.240 18.152 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.917 19.284 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 88 20.683 18.311 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.248 17.572 -2.927 1.00 0.00 H new ATOM 1430 N HIS A 89 18.515 16.486 -3.616 1.00 0.00 N ATOM 1431 CA HIS A 89 17.243 16.580 -2.911 1.00 0.00 C ATOM 1432 C HIS A 89 17.495 16.704 -1.415 1.00 0.00 C ATOM 1433 O HIS A 89 16.667 16.325 -0.589 1.00 0.00 O ATOM 1434 CB HIS A 89 16.355 15.368 -3.233 1.00 0.00 C ATOM 1435 CG HIS A 89 17.062 14.043 -3.187 1.00 0.00 C ATOM 1436 ND1 HIS A 89 17.769 13.529 -4.256 1.00 0.00 N ATOM 1437 CD2 HIS A 89 17.161 13.122 -2.198 1.00 0.00 C ATOM 1438 CE1 HIS A 89 18.268 12.351 -3.926 1.00 0.00 C ATOM 1439 NE2 HIS A 89 17.916 12.083 -2.683 1.00 0.00 N ATOM 0 H HIS A 89 19.000 15.598 -3.487 1.00 0.00 H new ATOM 0 HA HIS A 89 16.711 17.471 -3.245 1.00 0.00 H new ATOM 0 HB2 HIS A 89 15.524 15.346 -2.528 1.00 0.00 H new ATOM 0 HB3 HIS A 89 15.927 15.502 -4.226 1.00 0.00 H new ATOM 0 HD1 HIS A 89 17.888 13.987 -5.160 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.727 13.192 -1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 89 18.863 11.715 -4.565 1.00 0.00 H new ATOM 1448 N HIS A 90 18.644 17.282 -1.098 1.00 0.00 N ATOM 1449 CA HIS A 90 19.102 17.448 0.276 1.00 0.00 C ATOM 1450 C HIS A 90 18.197 18.383 1.081 1.00 0.00 C ATOM 1451 O HIS A 90 18.007 18.177 2.280 1.00 0.00 O ATOM 1452 CB HIS A 90 20.544 17.979 0.263 1.00 0.00 C ATOM 1453 CG HIS A 90 21.041 18.471 1.589 1.00 0.00 C ATOM 1454 ND1 HIS A 90 21.406 19.782 1.806 1.00 0.00 N ATOM 1455 CD2 HIS A 90 21.227 17.831 2.766 1.00 0.00 C ATOM 1456 CE1 HIS A 90 21.793 19.927 3.058 1.00 0.00 C ATOM 1457 NE2 HIS A 90 21.694 18.760 3.661 1.00 0.00 N ATOM 0 H HIS A 90 19.292 17.653 -1.793 1.00 0.00 H new ATOM 0 HA HIS A 90 19.064 16.475 0.766 1.00 0.00 H new ATOM 0 HB2 HIS A 90 21.206 17.187 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 90 20.611 18.792 -0.460 1.00 0.00 H new ATOM 0 HD2 HIS A 90 21.043 16.785 2.964 1.00 0.00 H new ATOM 0 HE1 HIS A 90 22.133 20.846 3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 90 21.927 18.576 4.637 1.00 0.00 H new ATOM 1466 N HIS A 91 17.646 19.407 0.434 1.00 0.00 N ATOM 1467 CA HIS A 91 16.866 20.420 1.148 1.00 0.00 C ATOM 1468 C HIS A 91 15.657 19.806 1.858 1.00 0.00 C ATOM 1469 O HIS A 91 15.339 20.199 2.973 1.00 0.00 O ATOM 1470 CB HIS A 91 16.426 21.560 0.208 1.00 0.00 C ATOM 1471 CG HIS A 91 15.303 21.222 -0.730 1.00 0.00 C ATOM 1472 ND1 HIS A 91 15.491 20.604 -1.946 1.00 0.00 N ATOM 1473 CD2 HIS A 91 13.970 21.424 -0.615 1.00 0.00 C ATOM 1474 CE1 HIS A 91 14.320 20.438 -2.537 1.00 0.00 C ATOM 1475 NE2 HIS A 91 13.384 20.927 -1.749 1.00 0.00 N ATOM 0 H HIS A 91 17.722 19.559 -0.572 1.00 0.00 H new ATOM 0 HA HIS A 91 17.519 20.845 1.910 1.00 0.00 H new ATOM 0 HB2 HIS A 91 16.125 22.414 0.815 1.00 0.00 H new ATOM 0 HB3 HIS A 91 17.287 21.875 -0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 91 13.462 21.890 0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.158 19.980 -3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.384 20.934 -1.951 1.00 0.00 H new ATOM 1484 N HIS A 92 15.020 18.823 1.210 1.00 0.00 N ATOM 1485 CA HIS A 92 13.796 18.188 1.717 1.00 0.00 C ATOM 1486 C HIS A 92 12.764 19.231 2.172 1.00 0.00 C ATOM 1487 O HIS A 92 12.003 19.740 1.352 1.00 0.00 O ATOM 1488 CB HIS A 92 14.118 17.195 2.847 1.00 0.00 C ATOM 1489 CG HIS A 92 12.922 16.444 3.370 1.00 0.00 C ATOM 1490 ND1 HIS A 92 12.579 16.416 4.702 1.00 0.00 N ATOM 1491 CD2 HIS A 92 12.004 15.677 2.731 1.00 0.00 C ATOM 1492 CE1 HIS A 92 11.505 15.665 4.863 1.00 0.00 C ATOM 1493 NE2 HIS A 92 11.132 15.205 3.683 1.00 0.00 N ATOM 0 H HIS A 92 15.339 18.445 0.318 1.00 0.00 H new ATOM 0 HA HIS A 92 13.351 17.629 0.894 1.00 0.00 H new ATOM 0 HB2 HIS A 92 14.854 16.477 2.485 1.00 0.00 H new ATOM 0 HB3 HIS A 92 14.581 17.738 3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 92 11.965 15.475 1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.014 15.461 5.803 1.00 0.00 H new ATOM 0 HE2 HIS A 92 10.330 14.600 3.507 1.00 0.00 H new ATOM 1502 N HIS A 93 12.776 19.562 3.469 1.00 0.00 N ATOM 1503 CA HIS A 93 11.832 20.521 4.050 1.00 0.00 C ATOM 1504 C HIS A 93 10.384 20.064 3.878 1.00 0.00 C ATOM 1505 O HIS A 93 10.114 18.921 3.497 1.00 0.00 O ATOM 1506 CB HIS A 93 12.011 21.920 3.436 1.00 0.00 C ATOM 1507 CG HIS A 93 13.195 22.683 3.950 1.00 0.00 C ATOM 1508 ND1 HIS A 93 13.471 23.981 3.573 1.00 0.00 N ATOM 1509 CD2 HIS A 93 14.170 22.336 4.825 1.00 0.00 C ATOM 1510 CE1 HIS A 93 14.562 24.395 4.189 1.00 0.00 C ATOM 1511 NE2 HIS A 93 15.004 23.417 4.954 1.00 0.00 N ATOM 0 H HIS A 93 13.438 19.174 4.141 1.00 0.00 H new ATOM 0 HA HIS A 93 12.052 20.573 5.116 1.00 0.00 H new ATOM 0 HB2 HIS A 93 12.103 21.818 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 93 11.110 22.503 3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 93 14.271 21.385 5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 93 15.016 25.369 4.084 1.00 0.00 H new ATOM 0 HE2 HIS A 93 15.833 23.458 5.547 1.00 0.00 H new ATOM 1520 N HIS A 94 9.462 20.955 4.214 1.00 0.00 N ATOM 1521 CA HIS A 94 8.044 20.750 3.969 1.00 0.00 C ATOM 1522 C HIS A 94 7.320 22.091 4.046 1.00 0.00 C ATOM 1523 O HIS A 94 7.057 22.680 2.982 1.00 0.00 O ATOM 1524 CB HIS A 94 7.435 19.715 4.940 1.00 0.00 C ATOM 1525 CG HIS A 94 7.524 20.053 6.404 1.00 0.00 C ATOM 1526 ND1 HIS A 94 8.681 19.929 7.146 1.00 0.00 N ATOM 1527 CD2 HIS A 94 6.577 20.491 7.266 1.00 0.00 C ATOM 1528 CE1 HIS A 94 8.438 20.277 8.395 1.00 0.00 C ATOM 1529 NE2 HIS A 94 7.170 20.621 8.497 1.00 0.00 N ATOM 1530 OXT HIS A 94 7.079 22.581 5.168 1.00 0.00 O ATOM 0 H HIS A 94 9.679 21.843 4.666 1.00 0.00 H new ATOM 0 HA HIS A 94 7.918 20.337 2.968 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.385 19.578 4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 94 7.931 18.758 4.777 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.544 20.700 7.029 1.00 0.00 H new ATOM 0 HE1 HIS A 94 9.158 20.280 9.200 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.706 20.933 9.350 1.00 0.00 H new TER 1539 HIS A 94