USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 43 HIS : no HD1:sc= -1.29 X(o=-3.1,f=-2.8) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 173:sc= -1.85 (180deg=-2.05) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 161:sc= 0.11 (180deg=-0.435) USER MOD Set 2.2: A 21 TYR OH : rot -48:sc= -0.163 USER MOD Set 3.1: A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 6 SER OG : rot -30:sc= -1.56 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0135) USER MOD Single : A 2 MET CE :methyl -154:sc= 0 (180deg=-0.729) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 0:sc= -2.21 USER MOD Single : A 14 LYS NZ :NH3+ -126:sc= 0.832 (180deg=-0.54!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.239 K(o=-0.24,f=-3.7!) USER MOD Single : A 28 MET CE :methyl 160:sc= -0.0695 (180deg=-0.735) USER MOD Single : A 33 TYR OH : rot 80:sc= -3.27 USER MOD Single : A 36 SER OG : rot 166:sc= -3.5! USER MOD Single : A 37 LYS NZ :NH3+ -123:sc= -1.09 (180deg=-5.03!) USER MOD Single : A 44 ASN : amide:sc= -3.78! C(o=-3.8!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -124:sc= -1.93 (180deg=-3.64!) USER MOD Single : A 59 ASN : amide:sc= -0.076 X(o=-0.076,f=-0.54) USER MOD Single : A 60 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-1.9) USER MOD Single : A 65 THR OG1 : rot 164:sc= -15.7! USER MOD Single : A 71 GLN : amide:sc= -0.0875 K(o=-0.087,f=-0.93) USER MOD Single : A 73 SER OG : rot 61:sc= 1.19 USER MOD Single : A 75 LYS NZ :NH3+ 137:sc= -0.0231 (180deg=-0.55) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.571 K(o=-0.57,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.235 12.126 11.608 1.00 0.00 N ATOM 2 CA MET A 1 -1.167 12.464 12.715 1.00 0.00 C ATOM 3 C MET A 1 -1.124 11.409 13.815 1.00 0.00 C ATOM 4 O MET A 1 -0.723 11.690 14.945 1.00 0.00 O ATOM 5 CB MET A 1 -2.583 12.574 12.144 1.00 0.00 C ATOM 6 CG MET A 1 -3.379 13.737 12.712 1.00 0.00 C ATOM 7 SD MET A 1 -4.494 13.234 14.036 1.00 0.00 S ATOM 8 CE MET A 1 -3.578 13.780 15.475 1.00 0.00 C ATOM 0 H1 MET A 1 -0.286 12.862 10.874 1.00 0.00 H new ATOM 0 H2 MET A 1 0.736 12.071 11.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.502 11.209 11.197 1.00 0.00 H new ATOM 0 HA MET A 1 -0.865 13.413 13.159 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.522 12.681 11.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.119 11.646 12.343 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.691 14.493 13.089 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.956 14.202 11.913 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.047 13.385 16.376 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.552 13.418 15.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.577 14.869 15.514 1.00 0.00 H new ATOM 20 N MET A 2 -1.541 10.193 13.477 1.00 0.00 N ATOM 21 CA MET A 2 -1.551 9.093 14.436 1.00 0.00 C ATOM 22 C MET A 2 -0.135 8.605 14.719 1.00 0.00 C ATOM 23 O MET A 2 0.343 8.678 15.851 1.00 0.00 O ATOM 24 CB MET A 2 -2.405 7.939 13.909 1.00 0.00 C ATOM 25 CG MET A 2 -3.059 7.115 15.009 1.00 0.00 C ATOM 26 SD MET A 2 -4.853 7.026 14.843 1.00 0.00 S ATOM 27 CE MET A 2 -5.016 5.706 13.644 1.00 0.00 C ATOM 0 H MET A 2 -1.876 9.944 12.546 1.00 0.00 H new ATOM 0 HA MET A 2 -1.982 9.460 15.368 1.00 0.00 H new ATOM 0 HB2 MET A 2 -3.181 8.340 13.257 1.00 0.00 H new ATOM 0 HB3 MET A 2 -1.782 7.286 13.299 1.00 0.00 H new ATOM 0 HG2 MET A 2 -2.647 6.106 14.995 1.00 0.00 H new ATOM 0 HG3 MET A 2 -2.809 7.548 15.978 1.00 0.00 H new ATOM 0 HE1 MET A 2 -5.952 5.824 13.098 1.00 0.00 H new ATOM 0 HE2 MET A 2 -4.181 5.745 12.945 1.00 0.00 H new ATOM 0 HE3 MET A 2 -5.014 4.745 14.158 1.00 0.00 H new ATOM 37 N SER A 3 0.533 8.106 13.683 1.00 0.00 N ATOM 38 CA SER A 3 1.895 7.605 13.822 1.00 0.00 C ATOM 39 C SER A 3 2.850 8.360 12.903 1.00 0.00 C ATOM 40 O SER A 3 3.946 8.745 13.311 1.00 0.00 O ATOM 41 CB SER A 3 1.945 6.108 13.512 1.00 0.00 C ATOM 42 OG SER A 3 2.825 5.433 14.395 1.00 0.00 O ATOM 0 H SER A 3 0.153 8.038 12.739 1.00 0.00 H new ATOM 0 HA SER A 3 2.210 7.765 14.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.945 5.683 13.595 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.271 5.957 12.483 1.00 0.00 H new ATOM 0 HG SER A 3 2.838 4.478 14.177 1.00 0.00 H new ATOM 48 N LEU A 4 2.426 8.573 11.661 1.00 0.00 N ATOM 49 CA LEU A 4 3.246 9.288 10.685 1.00 0.00 C ATOM 50 C LEU A 4 2.385 9.922 9.607 1.00 0.00 C ATOM 51 O LEU A 4 2.272 11.145 9.523 1.00 0.00 O ATOM 52 CB LEU A 4 4.265 8.356 10.013 1.00 0.00 C ATOM 53 CG LEU A 4 4.257 6.900 10.492 1.00 0.00 C ATOM 54 CD1 LEU A 4 2.999 6.184 10.025 1.00 0.00 C ATOM 55 CD2 LEU A 4 5.497 6.173 9.995 1.00 0.00 C ATOM 0 H LEU A 4 1.522 8.262 11.306 1.00 0.00 H new ATOM 0 HA LEU A 4 3.778 10.065 11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.084 8.366 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.263 8.765 10.172 1.00 0.00 H new ATOM 0 HG LEU A 4 4.265 6.899 11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 4 3.016 5.152 10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.122 6.690 10.427 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.957 6.195 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.477 5.140 10.343 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.515 6.188 8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.388 6.669 10.380 1.00 0.00 H new ATOM 67 N VAL A 5 1.808 9.079 8.761 1.00 0.00 N ATOM 68 CA VAL A 5 0.989 9.555 7.661 1.00 0.00 C ATOM 69 C VAL A 5 -0.464 9.145 7.788 1.00 0.00 C ATOM 70 O VAL A 5 -0.823 7.992 7.548 1.00 0.00 O ATOM 71 CB VAL A 5 1.502 9.048 6.307 1.00 0.00 C ATOM 72 CG1 VAL A 5 1.405 10.146 5.279 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.932 8.547 6.404 1.00 0.00 C ATOM 0 H VAL A 5 1.893 8.064 8.818 1.00 0.00 H new ATOM 0 HA VAL A 5 1.060 10.642 7.709 1.00 0.00 H new ATOM 0 HB VAL A 5 0.877 8.209 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.771 9.780 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.365 10.457 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.009 10.996 5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.262 8.196 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.580 9.358 6.736 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.982 7.727 7.120 1.00 0.00 H new ATOM 83 N SER A 6 -1.298 10.106 8.133 1.00 0.00 N ATOM 84 CA SER A 6 -2.722 9.863 8.251 1.00 0.00 C ATOM 85 C SER A 6 -3.426 10.218 6.944 1.00 0.00 C ATOM 86 O SER A 6 -2.826 10.806 6.040 1.00 0.00 O ATOM 87 CB SER A 6 -3.309 10.677 9.405 1.00 0.00 C ATOM 88 OG SER A 6 -2.792 10.243 10.651 1.00 0.00 O ATOM 0 H SER A 6 -1.013 11.064 8.337 1.00 0.00 H new ATOM 0 HA SER A 6 -2.878 8.804 8.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.081 11.733 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.395 10.582 9.406 1.00 0.00 H new ATOM 0 HG SER A 6 -2.579 9.288 10.602 1.00 0.00 H new ATOM 94 N ASP A 7 -4.706 9.882 6.862 1.00 0.00 N ATOM 95 CA ASP A 7 -5.513 10.188 5.679 1.00 0.00 C ATOM 96 C ASP A 7 -5.287 11.630 5.203 1.00 0.00 C ATOM 97 O ASP A 7 -5.565 11.964 4.052 1.00 0.00 O ATOM 98 CB ASP A 7 -6.997 9.968 5.983 1.00 0.00 C ATOM 99 CG ASP A 7 -7.504 10.882 7.079 1.00 0.00 C ATOM 100 OD1 ASP A 7 -7.353 10.524 8.267 1.00 0.00 O ATOM 101 OD2 ASP A 7 -8.054 11.954 6.752 1.00 0.00 O ATOM 0 H ASP A 7 -5.213 9.396 7.601 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.202 9.515 4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.579 10.134 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.155 8.930 6.277 1.00 0.00 H new ATOM 106 N GLU A 8 -4.802 12.480 6.108 1.00 0.00 N ATOM 107 CA GLU A 8 -4.556 13.891 5.813 1.00 0.00 C ATOM 108 C GLU A 8 -3.712 14.081 4.555 1.00 0.00 C ATOM 109 O GLU A 8 -4.126 14.753 3.610 1.00 0.00 O ATOM 110 CB GLU A 8 -3.819 14.526 6.991 1.00 0.00 C ATOM 111 CG GLU A 8 -4.549 14.383 8.316 1.00 0.00 C ATOM 112 CD GLU A 8 -5.265 15.654 8.728 1.00 0.00 C ATOM 113 OE1 GLU A 8 -6.001 16.219 7.892 1.00 0.00 O ATOM 114 OE2 GLU A 8 -5.090 16.085 9.887 1.00 0.00 O ATOM 0 H GLU A 8 -4.569 12.211 7.064 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.523 14.365 5.647 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.832 14.071 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.665 15.585 6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.272 13.571 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.835 14.105 9.091 1.00 0.00 H new ATOM 121 N GLU A 9 -2.522 13.507 4.546 1.00 0.00 N ATOM 122 CA GLU A 9 -1.637 13.641 3.400 1.00 0.00 C ATOM 123 C GLU A 9 -2.209 12.923 2.183 1.00 0.00 C ATOM 124 O GLU A 9 -1.910 13.280 1.043 1.00 0.00 O ATOM 125 CB GLU A 9 -0.251 13.087 3.730 1.00 0.00 C ATOM 126 CG GLU A 9 0.539 13.960 4.692 1.00 0.00 C ATOM 127 CD GLU A 9 1.621 14.763 3.997 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.341 15.329 2.920 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.748 14.826 4.531 1.00 0.00 O ATOM 0 H GLU A 9 -2.147 12.948 5.312 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.549 14.702 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.360 12.092 4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.316 12.974 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.142 14.641 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.994 13.331 5.458 1.00 0.00 H new ATOM 136 N TRP A 10 -3.017 11.897 2.429 1.00 0.00 N ATOM 137 CA TRP A 10 -3.607 11.119 1.346 1.00 0.00 C ATOM 138 C TRP A 10 -4.885 11.731 0.775 1.00 0.00 C ATOM 139 O TRP A 10 -5.245 11.435 -0.363 1.00 0.00 O ATOM 140 CB TRP A 10 -3.893 9.685 1.781 1.00 0.00 C ATOM 141 CG TRP A 10 -4.176 8.800 0.612 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.399 8.452 0.126 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.211 8.168 -0.234 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.256 7.650 -0.978 1.00 0.00 N ATOM 145 CE2 TRP A 10 -3.921 7.453 -1.214 1.00 0.00 C ATOM 146 CE3 TRP A 10 -1.814 8.138 -0.256 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.281 6.714 -2.207 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.180 7.405 -1.240 1.00 0.00 C ATOM 149 CH2 TRP A 10 -1.913 6.702 -2.203 1.00 0.00 C ATOM 0 H TRP A 10 -3.277 11.586 3.365 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.858 11.126 0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.039 9.295 2.334 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.745 9.674 2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.344 8.762 0.548 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.020 7.263 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.241 8.678 0.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.844 6.171 -2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.101 7.374 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.387 6.138 -2.959 1.00 0.00 H new ATOM 160 N VAL A 11 -5.583 12.567 1.543 1.00 0.00 N ATOM 161 CA VAL A 11 -6.811 13.160 1.052 1.00 0.00 C ATOM 162 C VAL A 11 -6.478 14.068 -0.089 1.00 0.00 C ATOM 163 O VAL A 11 -7.178 14.101 -1.101 1.00 0.00 O ATOM 164 CB VAL A 11 -7.595 13.941 2.134 1.00 0.00 C ATOM 165 CG1 VAL A 11 -6.661 14.740 3.023 1.00 0.00 C ATOM 166 CG2 VAL A 11 -8.623 14.855 1.486 1.00 0.00 C ATOM 0 H VAL A 11 -5.320 12.841 2.490 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.463 12.347 0.734 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.114 13.216 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.243 15.277 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.965 14.064 3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.103 15.454 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.166 15.398 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.117 15.565 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.323 14.258 0.901 1.00 0.00 H new ATOM 176 N GLU A 12 -5.384 14.788 0.061 1.00 0.00 N ATOM 177 CA GLU A 12 -4.962 15.661 -0.993 1.00 0.00 C ATOM 178 C GLU A 12 -4.749 14.824 -2.249 1.00 0.00 C ATOM 179 O GLU A 12 -4.968 15.273 -3.374 1.00 0.00 O ATOM 180 CB GLU A 12 -3.682 16.410 -0.610 1.00 0.00 C ATOM 181 CG GLU A 12 -3.857 17.919 -0.550 1.00 0.00 C ATOM 182 CD GLU A 12 -3.224 18.531 0.685 1.00 0.00 C ATOM 183 OE1 GLU A 12 -2.282 17.920 1.234 1.00 0.00 O ATOM 184 OE2 GLU A 12 -3.670 19.619 1.104 1.00 0.00 O ATOM 0 H GLU A 12 -4.788 14.781 0.889 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.728 16.415 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.338 16.053 0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.901 16.171 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.416 18.368 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.920 18.159 -0.565 1.00 0.00 H new ATOM 191 N TYR A 13 -4.334 13.585 -2.008 1.00 0.00 N ATOM 192 CA TYR A 13 -4.088 12.604 -3.058 1.00 0.00 C ATOM 193 C TYR A 13 -5.391 12.020 -3.607 1.00 0.00 C ATOM 194 O TYR A 13 -5.555 11.862 -4.816 1.00 0.00 O ATOM 195 CB TYR A 13 -3.200 11.481 -2.519 1.00 0.00 C ATOM 196 CG TYR A 13 -1.754 11.602 -2.945 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.017 12.744 -2.656 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.127 10.575 -3.638 1.00 0.00 C ATOM 199 CE1 TYR A 13 0.303 12.859 -3.046 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.193 10.683 -4.033 1.00 0.00 C ATOM 201 CZ TYR A 13 0.903 11.826 -3.735 1.00 0.00 C ATOM 202 OH TYR A 13 2.217 11.938 -4.127 1.00 0.00 O ATOM 0 H TYR A 13 -4.157 13.230 -1.068 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.582 13.113 -3.878 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.251 11.478 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.592 10.523 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.484 13.555 -2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.680 9.677 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.862 13.753 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.666 9.876 -4.573 1.00 0.00 H new ATOM 0 HH TYR A 13 2.571 12.805 -3.840 1.00 0.00 H new ATOM 212 N LYS A 14 -6.302 11.671 -2.698 1.00 0.00 N ATOM 213 CA LYS A 14 -7.582 11.066 -3.066 1.00 0.00 C ATOM 214 C LYS A 14 -8.302 11.861 -4.154 1.00 0.00 C ATOM 215 O LYS A 14 -9.002 11.287 -4.989 1.00 0.00 O ATOM 216 CB LYS A 14 -8.493 10.970 -1.836 1.00 0.00 C ATOM 217 CG LYS A 14 -8.002 10.011 -0.758 1.00 0.00 C ATOM 218 CD LYS A 14 -8.806 10.162 0.528 1.00 0.00 C ATOM 219 CE LYS A 14 -7.903 10.261 1.749 1.00 0.00 C ATOM 220 NZ LYS A 14 -7.706 8.943 2.410 1.00 0.00 N ATOM 0 H LYS A 14 -6.175 11.798 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.365 10.071 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.599 11.963 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.486 10.656 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.079 8.985 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.948 10.199 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.430 11.053 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.477 9.310 0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.935 10.665 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.335 10.963 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.956 9.019 3.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.314 8.232 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.711 8.655 2.321 1.00 0.00 H new ATOM 234 N SER A 15 -8.117 13.175 -4.156 1.00 0.00 N ATOM 235 CA SER A 15 -8.731 14.028 -5.148 1.00 0.00 C ATOM 236 C SER A 15 -8.024 13.835 -6.461 1.00 0.00 C ATOM 237 O SER A 15 -8.638 13.784 -7.527 1.00 0.00 O ATOM 238 CB SER A 15 -8.636 15.489 -4.722 1.00 0.00 C ATOM 239 OG SER A 15 -9.018 15.653 -3.367 1.00 0.00 O ATOM 0 H SER A 15 -7.542 13.669 -3.474 1.00 0.00 H new ATOM 0 HA SER A 15 -9.784 13.765 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.615 15.845 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.276 16.099 -5.360 1.00 0.00 H new ATOM 0 HG SER A 15 -8.946 16.598 -3.119 1.00 0.00 H new ATOM 245 N LYS A 16 -6.707 13.749 -6.362 1.00 0.00 N ATOM 246 CA LYS A 16 -5.878 13.586 -7.525 1.00 0.00 C ATOM 247 C LYS A 16 -5.810 12.129 -7.975 1.00 0.00 C ATOM 248 O LYS A 16 -5.258 11.825 -9.033 1.00 0.00 O ATOM 249 CB LYS A 16 -4.471 14.122 -7.256 1.00 0.00 C ATOM 250 CG LYS A 16 -3.622 14.254 -8.510 1.00 0.00 C ATOM 251 CD LYS A 16 -2.192 14.647 -8.175 1.00 0.00 C ATOM 252 CE LYS A 16 -1.247 14.347 -9.328 1.00 0.00 C ATOM 253 NZ LYS A 16 -0.928 15.568 -10.116 1.00 0.00 N ATOM 0 H LYS A 16 -6.196 13.791 -5.480 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.332 14.160 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.548 15.097 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.966 13.459 -6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.623 13.309 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.061 15.002 -9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.152 15.710 -7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.865 14.109 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.325 13.915 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.698 13.600 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.281 15.321 -10.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.805 15.966 -10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.475 16.271 -9.498 1.00 0.00 H new ATOM 267 N PHE A 17 -6.359 11.230 -7.166 1.00 0.00 N ATOM 268 CA PHE A 17 -6.336 9.806 -7.490 1.00 0.00 C ATOM 269 C PHE A 17 -7.701 9.299 -7.956 1.00 0.00 C ATOM 270 O PHE A 17 -7.800 8.217 -8.534 1.00 0.00 O ATOM 271 CB PHE A 17 -5.865 8.999 -6.279 1.00 0.00 C ATOM 272 CG PHE A 17 -4.533 8.337 -6.488 1.00 0.00 C ATOM 273 CD1 PHE A 17 -4.390 7.319 -7.416 1.00 0.00 C ATOM 274 CD2 PHE A 17 -3.424 8.735 -5.758 1.00 0.00 C ATOM 275 CE1 PHE A 17 -3.166 6.709 -7.613 1.00 0.00 C ATOM 276 CE2 PHE A 17 -2.197 8.128 -5.951 1.00 0.00 C ATOM 277 CZ PHE A 17 -2.068 7.114 -6.879 1.00 0.00 C ATOM 0 H PHE A 17 -6.823 11.458 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.637 9.671 -8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.803 9.658 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.609 8.237 -6.047 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.245 6.998 -7.992 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.519 9.528 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.068 5.916 -8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.340 8.447 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.110 6.638 -7.031 1.00 0.00 H new ATOM 287 N ASP A 18 -8.753 10.074 -7.703 1.00 0.00 N ATOM 288 CA ASP A 18 -10.107 9.683 -8.098 1.00 0.00 C ATOM 289 C ASP A 18 -10.633 8.542 -7.222 1.00 0.00 C ATOM 290 O ASP A 18 -11.700 7.988 -7.485 1.00 0.00 O ATOM 291 CB ASP A 18 -10.137 9.270 -9.574 1.00 0.00 C ATOM 292 CG ASP A 18 -11.047 10.154 -10.405 1.00 0.00 C ATOM 293 OD1 ASP A 18 -12.217 10.338 -10.011 1.00 0.00 O ATOM 294 OD2 ASP A 18 -10.587 10.661 -11.449 1.00 0.00 O ATOM 0 H ASP A 18 -8.696 10.975 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.757 10.547 -7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.126 9.311 -9.980 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.471 8.235 -9.652 1.00 0.00 H new ATOM 299 N LYS A 19 -9.883 8.208 -6.175 1.00 0.00 N ATOM 300 CA LYS A 19 -10.269 7.150 -5.248 1.00 0.00 C ATOM 301 C LYS A 19 -10.074 7.637 -3.820 1.00 0.00 C ATOM 302 O LYS A 19 -8.981 7.540 -3.264 1.00 0.00 O ATOM 303 CB LYS A 19 -9.438 5.889 -5.495 1.00 0.00 C ATOM 304 CG LYS A 19 -7.961 6.169 -5.719 1.00 0.00 C ATOM 305 CD LYS A 19 -7.125 4.909 -5.571 1.00 0.00 C ATOM 306 CE LYS A 19 -5.696 5.233 -5.163 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.193 4.299 -4.119 1.00 0.00 N ATOM 0 H LYS A 19 -8.997 8.660 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.318 6.902 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.547 5.219 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.836 5.366 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.816 6.588 -6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.620 6.919 -5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.578 4.256 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.120 4.361 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.048 5.183 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.648 6.256 -4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.154 4.332 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.569 4.580 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.504 3.331 -4.340 1.00 0.00 H new ATOM 321 N ASN A 20 -11.130 8.199 -3.245 1.00 0.00 N ATOM 322 CA ASN A 20 -11.056 8.746 -1.898 1.00 0.00 C ATOM 323 C ASN A 20 -11.617 7.807 -0.838 1.00 0.00 C ATOM 324 O ASN A 20 -12.828 7.606 -0.746 1.00 0.00 O ATOM 325 CB ASN A 20 -11.802 10.081 -1.839 1.00 0.00 C ATOM 326 CG ASN A 20 -13.283 9.930 -2.125 1.00 0.00 C ATOM 327 OD1 ASN A 20 -13.676 9.457 -3.192 1.00 0.00 O ATOM 328 ND2 ASN A 20 -14.115 10.331 -1.171 1.00 0.00 N ATOM 0 H ASN A 20 -12.044 8.287 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 20 -9.998 8.886 -1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.669 10.525 -0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.364 10.771 -2.561 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.123 10.253 -1.307 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.746 10.717 -0.302 1.00 0.00 H new ATOM 335 N TYR A 21 -10.728 7.280 -0.001 1.00 0.00 N ATOM 336 CA TYR A 21 -11.134 6.414 1.099 1.00 0.00 C ATOM 337 C TYR A 21 -10.762 7.098 2.415 1.00 0.00 C ATOM 338 O TYR A 21 -9.568 7.317 2.711 1.00 0.00 O ATOM 339 CB TYR A 21 -10.488 5.034 0.987 1.00 0.00 C ATOM 340 CG TYR A 21 -9.135 5.050 0.342 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.034 5.415 1.080 1.00 0.00 C ATOM 342 CD2 TYR A 21 -8.951 4.699 -0.990 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.786 5.434 0.528 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.690 4.714 -1.556 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.609 5.083 -0.783 1.00 0.00 C ATOM 346 OH TYR A 21 -5.343 5.111 -1.318 1.00 0.00 O ATOM 0 H TYR A 21 -9.722 7.438 -0.064 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.212 6.256 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.400 4.602 1.984 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.146 4.381 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.159 5.692 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.802 4.411 -1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.936 5.727 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.553 4.440 -2.592 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.907 5.957 -1.084 1.00 0.00 H new ATOM 356 N GLU A 22 -11.819 7.469 3.152 1.00 0.00 N ATOM 357 CA GLU A 22 -11.738 8.202 4.421 1.00 0.00 C ATOM 358 C GLU A 22 -11.147 7.412 5.586 1.00 0.00 C ATOM 359 O GLU A 22 -10.772 6.248 5.460 1.00 0.00 O ATOM 360 CB GLU A 22 -13.128 8.713 4.807 1.00 0.00 C ATOM 361 CG GLU A 22 -13.178 10.215 5.042 1.00 0.00 C ATOM 362 CD GLU A 22 -13.479 10.572 6.484 1.00 0.00 C ATOM 363 OE1 GLU A 22 -13.265 9.714 7.366 1.00 0.00 O ATOM 364 OE2 GLU A 22 -13.929 11.711 6.732 1.00 0.00 O ATOM 0 H GLU A 22 -12.778 7.262 2.874 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.045 9.023 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.834 8.453 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.457 8.201 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.223 10.655 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.939 10.654 4.397 1.00 0.00 H new ATOM 371 N ALA A 23 -11.064 8.110 6.725 1.00 0.00 N ATOM 372 CA ALA A 23 -10.512 7.578 7.970 1.00 0.00 C ATOM 373 C ALA A 23 -10.958 6.149 8.274 1.00 0.00 C ATOM 374 O ALA A 23 -10.145 5.328 8.699 1.00 0.00 O ATOM 375 CB ALA A 23 -10.891 8.492 9.127 1.00 0.00 C ATOM 0 H ALA A 23 -11.384 9.075 6.805 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.430 7.544 7.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.479 8.095 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.489 9.489 8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.977 8.547 9.206 1.00 0.00 H new ATOM 381 N GLU A 24 -12.241 5.846 8.085 1.00 0.00 N ATOM 382 CA GLU A 24 -12.734 4.500 8.380 1.00 0.00 C ATOM 383 C GLU A 24 -11.876 3.450 7.682 1.00 0.00 C ATOM 384 O GLU A 24 -11.297 2.577 8.330 1.00 0.00 O ATOM 385 CB GLU A 24 -14.193 4.362 7.941 1.00 0.00 C ATOM 386 CG GLU A 24 -15.164 5.163 8.792 1.00 0.00 C ATOM 387 CD GLU A 24 -15.325 6.590 8.306 1.00 0.00 C ATOM 388 OE1 GLU A 24 -15.036 6.850 7.120 1.00 0.00 O ATOM 389 OE2 GLU A 24 -15.743 7.447 9.113 1.00 0.00 O ATOM 0 H GLU A 24 -12.945 6.497 7.737 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.672 4.340 9.456 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.283 4.683 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.476 3.310 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.136 4.670 8.789 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.815 5.172 9.824 1.00 0.00 H new ATOM 396 N GLU A 25 -11.763 3.567 6.366 1.00 0.00 N ATOM 397 CA GLU A 25 -10.933 2.657 5.587 1.00 0.00 C ATOM 398 C GLU A 25 -9.459 3.004 5.781 1.00 0.00 C ATOM 399 O GLU A 25 -8.587 2.137 5.759 1.00 0.00 O ATOM 400 CB GLU A 25 -11.303 2.735 4.104 1.00 0.00 C ATOM 401 CG GLU A 25 -11.883 1.443 3.554 1.00 0.00 C ATOM 402 CD GLU A 25 -11.928 1.421 2.039 1.00 0.00 C ATOM 403 OE1 GLU A 25 -11.983 2.511 1.431 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.907 0.315 1.460 1.00 0.00 O ATOM 0 H GLU A 25 -12.236 4.283 5.815 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.107 1.638 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.026 3.538 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.415 2.998 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.287 0.602 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.891 1.306 3.946 1.00 0.00 H new ATOM 411 N ASP A 26 -9.207 4.300 5.944 1.00 0.00 N ATOM 412 CA ASP A 26 -7.859 4.833 6.113 1.00 0.00 C ATOM 413 C ASP A 26 -7.147 4.287 7.341 1.00 0.00 C ATOM 414 O ASP A 26 -5.929 4.180 7.346 1.00 0.00 O ATOM 415 CB ASP A 26 -7.919 6.347 6.239 1.00 0.00 C ATOM 416 CG ASP A 26 -7.973 7.049 4.898 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.358 6.542 3.938 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.626 8.110 4.810 1.00 0.00 O ATOM 0 H ASP A 26 -9.936 5.013 5.963 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.296 4.524 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.797 6.623 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.046 6.695 6.791 1.00 0.00 H new ATOM 423 N LEU A 27 -7.893 3.987 8.395 1.00 0.00 N ATOM 424 CA LEU A 27 -7.292 3.508 9.633 1.00 0.00 C ATOM 425 C LEU A 27 -6.292 2.383 9.376 1.00 0.00 C ATOM 426 O LEU A 27 -5.111 2.486 9.738 1.00 0.00 O ATOM 427 CB LEU A 27 -8.403 3.034 10.559 1.00 0.00 C ATOM 428 CG LEU A 27 -8.160 3.311 12.038 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.353 4.022 12.657 1.00 0.00 C ATOM 430 CD2 LEU A 27 -7.858 2.020 12.785 1.00 0.00 C ATOM 0 H LEU A 27 -8.910 4.066 8.419 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.739 4.324 10.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.335 3.514 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.539 1.961 10.422 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.292 3.965 12.122 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.157 4.209 13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.518 4.970 12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.241 3.397 12.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.688 2.241 13.839 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.703 1.338 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.967 1.555 12.363 1.00 0.00 H new ATOM 442 N MET A 28 -6.741 1.342 8.695 1.00 0.00 N ATOM 443 CA MET A 28 -5.852 0.244 8.349 1.00 0.00 C ATOM 444 C MET A 28 -4.826 0.755 7.348 1.00 0.00 C ATOM 445 O MET A 28 -3.692 0.271 7.277 1.00 0.00 O ATOM 446 CB MET A 28 -6.636 -0.928 7.758 1.00 0.00 C ATOM 447 CG MET A 28 -7.460 -0.558 6.536 1.00 0.00 C ATOM 448 SD MET A 28 -8.412 -1.947 5.893 1.00 0.00 S ATOM 449 CE MET A 28 -9.578 -2.204 7.228 1.00 0.00 C ATOM 0 H MET A 28 -7.703 1.233 8.374 1.00 0.00 H new ATOM 0 HA MET A 28 -5.351 -0.117 9.247 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.938 -1.721 7.488 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.299 -1.333 8.523 1.00 0.00 H new ATOM 0 HG2 MET A 28 -8.139 0.255 6.793 1.00 0.00 H new ATOM 0 HG3 MET A 28 -6.797 -0.185 5.755 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.437 -2.763 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.097 -2.766 8.028 1.00 0.00 H new ATOM 0 HE3 MET A 28 -9.911 -1.239 7.611 1.00 0.00 H new ATOM 459 N ARG A 29 -5.241 1.761 6.587 1.00 0.00 N ATOM 460 CA ARG A 29 -4.384 2.377 5.596 1.00 0.00 C ATOM 461 C ARG A 29 -3.342 3.263 6.267 1.00 0.00 C ATOM 462 O ARG A 29 -2.272 3.504 5.716 1.00 0.00 O ATOM 463 CB ARG A 29 -5.209 3.218 4.644 1.00 0.00 C ATOM 464 CG ARG A 29 -5.879 2.435 3.518 1.00 0.00 C ATOM 465 CD ARG A 29 -7.184 3.080 3.070 1.00 0.00 C ATOM 466 NE ARG A 29 -7.607 2.574 1.762 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.455 1.559 1.589 1.00 0.00 C ATOM 468 NH1 ARG A 29 -9.083 1.019 2.627 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.675 1.079 0.372 1.00 0.00 N ATOM 0 H ARG A 29 -6.175 2.166 6.643 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.880 1.585 5.043 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.979 3.738 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.567 3.981 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.198 2.367 2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.075 1.416 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.962 2.882 3.808 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.059 4.162 3.021 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.229 3.027 0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.919 1.380 3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.730 0.243 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.196 1.486 -0.431 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.323 0.303 0.239 1.00 0.00 H new ATOM 483 N ARG A 30 -3.655 3.748 7.468 1.00 0.00 N ATOM 484 CA ARG A 30 -2.729 4.598 8.203 1.00 0.00 C ATOM 485 C ARG A 30 -1.380 3.906 8.255 1.00 0.00 C ATOM 486 O ARG A 30 -0.328 4.534 8.135 1.00 0.00 O ATOM 487 CB ARG A 30 -3.234 4.849 9.627 1.00 0.00 C ATOM 488 CG ARG A 30 -4.542 5.620 9.696 1.00 0.00 C ATOM 489 CD ARG A 30 -4.382 7.039 9.183 1.00 0.00 C ATOM 490 NE ARG A 30 -5.608 7.819 9.333 1.00 0.00 N ATOM 491 CZ ARG A 30 -5.997 8.376 10.478 1.00 0.00 C ATOM 492 NH1 ARG A 30 -5.260 8.240 11.574 1.00 0.00 N ATOM 493 NH2 ARG A 30 -7.124 9.072 10.526 1.00 0.00 N ATOM 0 H ARG A 30 -4.537 3.567 7.947 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.645 5.561 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.363 3.890 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.472 5.398 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.301 5.103 9.108 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.898 5.643 10.726 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.572 7.530 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.095 7.014 8.132 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.201 7.944 8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.391 7.707 11.541 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.563 8.669 12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.693 9.181 9.686 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.423 9.499 11.403 1.00 0.00 H new ATOM 507 N ARG A 31 -1.438 2.588 8.418 1.00 0.00 N ATOM 508 CA ARG A 31 -0.240 1.764 8.469 1.00 0.00 C ATOM 509 C ARG A 31 0.424 1.645 7.093 1.00 0.00 C ATOM 510 O ARG A 31 1.661 1.597 6.988 1.00 0.00 O ATOM 511 CB ARG A 31 -0.579 0.367 8.996 1.00 0.00 C ATOM 512 CG ARG A 31 -1.468 0.372 10.229 1.00 0.00 C ATOM 513 CD ARG A 31 -0.647 0.445 11.506 1.00 0.00 C ATOM 514 NE ARG A 31 -0.488 1.819 11.980 1.00 0.00 N ATOM 515 CZ ARG A 31 0.068 2.140 13.146 1.00 0.00 C ATOM 516 NH1 ARG A 31 0.516 1.192 13.958 1.00 0.00 N ATOM 517 NH2 ARG A 31 0.175 3.414 13.500 1.00 0.00 N ATOM 0 H ARG A 31 -2.309 2.067 8.517 1.00 0.00 H new ATOM 0 HA ARG A 31 0.463 2.251 9.145 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.073 -0.198 8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.348 -0.157 9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.150 1.221 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.082 -0.529 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.129 -0.152 12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.335 0.007 11.330 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.822 2.575 11.383 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.435 0.211 13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.941 1.444 14.850 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.169 4.146 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.601 3.661 14.393 1.00 0.00 H new ATOM 531 N ILE A 32 -0.380 1.627 6.024 1.00 0.00 N ATOM 532 CA ILE A 32 0.186 1.526 4.690 1.00 0.00 C ATOM 533 C ILE A 32 0.669 2.880 4.272 1.00 0.00 C ATOM 534 O ILE A 32 1.672 3.019 3.594 1.00 0.00 O ATOM 535 CB ILE A 32 -0.795 0.905 3.678 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.569 1.449 2.297 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.216 1.087 4.086 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.809 1.195 1.806 1.00 0.00 C ATOM 0 H ILE A 32 -1.398 1.680 6.061 1.00 0.00 H new ATOM 0 HA ILE A 32 1.033 0.840 4.712 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.594 -0.166 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.285 0.998 1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.760 2.522 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.869 0.633 3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.381 0.611 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.439 2.151 4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.920 1.608 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.527 1.669 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.993 0.121 1.778 1.00 0.00 H new ATOM 550 N TYR A 33 -0.030 3.884 4.709 1.00 0.00 N ATOM 551 CA TYR A 33 0.374 5.223 4.402 1.00 0.00 C ATOM 552 C TYR A 33 1.762 5.512 4.982 1.00 0.00 C ATOM 553 O TYR A 33 2.531 6.310 4.435 1.00 0.00 O ATOM 554 CB TYR A 33 -0.624 6.269 4.896 1.00 0.00 C ATOM 555 CG TYR A 33 -0.532 7.554 4.104 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.342 7.649 3.028 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.307 8.661 4.417 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.441 8.796 2.283 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.214 9.824 3.675 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.342 9.886 2.604 1.00 0.00 C ATOM 561 OH TYR A 33 -0.239 11.044 1.867 1.00 0.00 O ATOM 0 H TYR A 33 -0.875 3.804 5.274 1.00 0.00 H new ATOM 0 HA TYR A 33 0.409 5.296 3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.635 5.869 4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.439 6.478 5.950 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.958 6.799 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.992 8.614 5.251 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.127 8.846 1.451 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.820 10.680 3.931 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.751 10.950 1.037 1.00 0.00 H new ATOM 571 N ALA A 34 2.079 4.858 6.100 1.00 0.00 N ATOM 572 CA ALA A 34 3.369 5.051 6.754 1.00 0.00 C ATOM 573 C ALA A 34 4.518 4.850 5.787 1.00 0.00 C ATOM 574 O ALA A 34 5.410 5.691 5.670 1.00 0.00 O ATOM 575 CB ALA A 34 3.507 4.117 7.947 1.00 0.00 C ATOM 0 H ALA A 34 1.462 4.194 6.568 1.00 0.00 H new ATOM 0 HA ALA A 34 3.410 6.081 7.108 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.475 4.275 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.712 4.323 8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.432 3.083 7.610 1.00 0.00 H new ATOM 581 N GLU A 35 4.475 3.742 5.083 1.00 0.00 N ATOM 582 CA GLU A 35 5.502 3.423 4.093 1.00 0.00 C ATOM 583 C GLU A 35 5.610 4.509 3.020 1.00 0.00 C ATOM 584 O GLU A 35 6.673 4.693 2.437 1.00 0.00 O ATOM 585 CB GLU A 35 5.215 2.087 3.427 1.00 0.00 C ATOM 586 CG GLU A 35 3.739 1.829 3.253 1.00 0.00 C ATOM 587 CD GLU A 35 3.282 0.607 4.025 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.175 0.694 5.266 1.00 0.00 O ATOM 589 OE2 GLU A 35 3.040 -0.441 3.390 1.00 0.00 O ATOM 0 H GLU A 35 3.741 3.039 5.171 1.00 0.00 H new ATOM 0 HA GLU A 35 6.451 3.366 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.702 2.059 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.652 1.287 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.177 2.701 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.517 1.693 2.195 1.00 0.00 H new ATOM 596 N SER A 36 4.501 5.198 2.730 1.00 0.00 N ATOM 597 CA SER A 36 4.493 6.219 1.674 1.00 0.00 C ATOM 598 C SER A 36 5.679 7.154 1.810 1.00 0.00 C ATOM 599 O SER A 36 6.455 7.313 0.868 1.00 0.00 O ATOM 600 CB SER A 36 3.210 7.053 1.734 1.00 0.00 C ATOM 601 OG SER A 36 2.286 6.667 0.739 1.00 0.00 O ATOM 0 H SER A 36 3.607 5.071 3.204 1.00 0.00 H new ATOM 0 HA SER A 36 4.549 5.695 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.752 6.945 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.456 8.108 1.612 1.00 0.00 H new ATOM 0 HG SER A 36 1.406 7.046 0.945 1.00 0.00 H new ATOM 607 N LYS A 37 5.842 7.759 2.973 1.00 0.00 N ATOM 608 CA LYS A 37 6.976 8.653 3.171 1.00 0.00 C ATOM 609 C LYS A 37 8.272 7.872 2.995 1.00 0.00 C ATOM 610 O LYS A 37 9.213 8.348 2.361 1.00 0.00 O ATOM 611 CB LYS A 37 6.945 9.308 4.543 1.00 0.00 C ATOM 612 CG LYS A 37 5.544 9.565 5.091 1.00 0.00 C ATOM 613 CD LYS A 37 4.583 10.070 4.016 1.00 0.00 C ATOM 614 CE LYS A 37 4.296 11.557 4.162 1.00 0.00 C ATOM 615 NZ LYS A 37 3.058 11.957 3.430 1.00 0.00 N ATOM 0 H LYS A 37 5.223 7.655 3.777 1.00 0.00 H new ATOM 0 HA LYS A 37 6.916 9.448 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.486 8.675 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.480 10.256 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.151 8.645 5.523 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.600 10.297 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.008 9.878 3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.648 9.513 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.190 11.805 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.143 12.130 3.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.286 12.707 2.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.672 11.134 2.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.352 12.309 4.108 1.00 0.00 H new ATOM 629 N ALA A 38 8.299 6.645 3.523 1.00 0.00 N ATOM 630 CA ALA A 38 9.467 5.784 3.374 1.00 0.00 C ATOM 631 C ALA A 38 9.821 5.692 1.904 1.00 0.00 C ATOM 632 O ALA A 38 10.987 5.723 1.510 1.00 0.00 O ATOM 633 CB ALA A 38 9.194 4.404 3.954 1.00 0.00 C ATOM 0 H ALA A 38 7.531 6.232 4.052 1.00 0.00 H new ATOM 0 HA ALA A 38 10.308 6.209 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.077 3.777 3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.956 4.495 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.352 3.950 3.431 1.00 0.00 H new ATOM 639 N ARG A 39 8.773 5.615 1.110 1.00 0.00 N ATOM 640 CA ARG A 39 8.871 5.553 -0.331 1.00 0.00 C ATOM 641 C ARG A 39 9.292 6.901 -0.882 1.00 0.00 C ATOM 642 O ARG A 39 9.971 6.994 -1.893 1.00 0.00 O ATOM 643 CB ARG A 39 7.530 5.156 -0.897 1.00 0.00 C ATOM 644 CG ARG A 39 6.895 4.014 -0.123 1.00 0.00 C ATOM 645 CD ARG A 39 6.887 2.725 -0.929 1.00 0.00 C ATOM 646 NE ARG A 39 5.736 1.884 -0.608 1.00 0.00 N ATOM 647 CZ ARG A 39 5.664 0.586 -0.889 1.00 0.00 C ATOM 648 NH1 ARG A 39 6.673 -0.024 -1.499 1.00 0.00 N ATOM 649 NH2 ARG A 39 4.581 -0.104 -0.561 1.00 0.00 N ATOM 0 H ARG A 39 7.813 5.593 1.455 1.00 0.00 H new ATOM 0 HA ARG A 39 9.620 4.815 -0.616 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.862 6.017 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.650 4.863 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.440 3.858 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.873 4.281 0.147 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.876 2.963 -1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.806 2.171 -0.735 1.00 0.00 H new ATOM 0 HE ARG A 39 4.940 2.318 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.508 0.503 -1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.613 -1.020 -1.712 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.803 0.360 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.526 -1.099 -0.777 1.00 0.00 H new ATOM 663 N ILE A 40 8.872 7.960 -0.214 1.00 0.00 N ATOM 664 CA ILE A 40 9.224 9.296 -0.655 1.00 0.00 C ATOM 665 C ILE A 40 10.711 9.497 -0.455 1.00 0.00 C ATOM 666 O ILE A 40 11.394 10.135 -1.252 1.00 0.00 O ATOM 667 CB ILE A 40 8.363 10.341 0.059 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.886 10.090 -0.299 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.786 11.754 -0.322 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.665 9.120 -1.466 1.00 0.00 C ATOM 0 H ILE A 40 8.294 7.922 0.626 1.00 0.00 H new ATOM 0 HA ILE A 40 9.016 9.420 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 40 8.498 10.248 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.374 9.701 0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.419 11.044 -0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.157 12.475 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.828 11.910 -0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.676 11.889 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.596 9.005 -1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.143 9.514 -2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.098 8.150 -1.220 1.00 0.00 H new ATOM 682 N GLU A 41 11.203 8.855 0.582 1.00 0.00 N ATOM 683 CA GLU A 41 12.623 8.836 0.894 1.00 0.00 C ATOM 684 C GLU A 41 13.335 7.959 -0.142 1.00 0.00 C ATOM 685 O GLU A 41 14.540 8.063 -0.359 1.00 0.00 O ATOM 686 CB GLU A 41 12.859 8.294 2.308 1.00 0.00 C ATOM 687 CG GLU A 41 13.808 9.147 3.133 1.00 0.00 C ATOM 688 CD GLU A 41 14.595 8.332 4.142 1.00 0.00 C ATOM 689 OE1 GLU A 41 14.008 7.413 4.749 1.00 0.00 O ATOM 690 OE2 GLU A 41 15.797 8.616 4.325 1.00 0.00 O ATOM 0 H GLU A 41 10.629 8.327 1.239 1.00 0.00 H new ATOM 0 HA GLU A 41 13.021 9.850 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.903 8.224 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.259 7.282 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.501 9.662 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.239 9.915 3.656 1.00 0.00 H new ATOM 697 N GLU A 42 12.551 7.042 -0.710 1.00 0.00 N ATOM 698 CA GLU A 42 13.014 6.036 -1.668 1.00 0.00 C ATOM 699 C GLU A 42 13.778 6.588 -2.876 1.00 0.00 C ATOM 700 O GLU A 42 14.964 6.310 -3.052 1.00 0.00 O ATOM 701 CB GLU A 42 11.735 5.406 -2.242 1.00 0.00 C ATOM 702 CG GLU A 42 11.956 4.320 -3.276 1.00 0.00 C ATOM 703 CD GLU A 42 11.276 3.015 -2.913 1.00 0.00 C ATOM 704 OE1 GLU A 42 11.558 2.483 -1.819 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.462 2.524 -3.722 1.00 0.00 O ATOM 0 H GLU A 42 11.553 6.976 -0.512 1.00 0.00 H new ATOM 0 HA GLU A 42 13.694 5.369 -1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.154 4.989 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.131 6.195 -2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.583 4.662 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.026 4.147 -3.391 1.00 0.00 H new ATOM 712 N HIS A 43 13.091 7.342 -3.712 1.00 0.00 N ATOM 713 CA HIS A 43 13.690 7.888 -4.918 1.00 0.00 C ATOM 714 C HIS A 43 14.477 9.151 -4.647 1.00 0.00 C ATOM 715 O HIS A 43 15.467 9.441 -5.320 1.00 0.00 O ATOM 716 CB HIS A 43 12.599 8.171 -5.933 1.00 0.00 C ATOM 717 CG HIS A 43 12.047 6.939 -6.582 1.00 0.00 C ATOM 718 ND1 HIS A 43 12.642 6.329 -7.666 1.00 0.00 N ATOM 719 CD2 HIS A 43 10.949 6.202 -6.293 1.00 0.00 C ATOM 720 CE1 HIS A 43 11.933 5.270 -8.017 1.00 0.00 C ATOM 721 NE2 HIS A 43 10.902 5.170 -7.199 1.00 0.00 N ATOM 0 H HIS A 43 12.111 7.593 -3.578 1.00 0.00 H new ATOM 0 HA HIS A 43 14.390 7.149 -5.307 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.787 8.707 -5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 43 12.995 8.831 -6.705 1.00 0.00 H new ATOM 0 HD2 HIS A 43 10.242 6.390 -5.499 1.00 0.00 H new ATOM 0 HE1 HIS A 43 12.159 4.601 -8.834 1.00 0.00 H new ATOM 0 HE2 HIS A 43 10.186 4.444 -7.234 1.00 0.00 H new ATOM 730 N ASN A 44 14.011 9.915 -3.681 1.00 0.00 N ATOM 731 CA ASN A 44 14.644 11.168 -3.345 1.00 0.00 C ATOM 732 C ASN A 44 16.073 10.963 -2.885 1.00 0.00 C ATOM 733 O ASN A 44 16.909 11.843 -3.063 1.00 0.00 O ATOM 734 CB ASN A 44 13.822 11.897 -2.301 1.00 0.00 C ATOM 735 CG ASN A 44 13.025 13.014 -2.930 1.00 0.00 C ATOM 736 OD1 ASN A 44 11.944 12.788 -3.481 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.582 14.217 -2.893 1.00 0.00 N ATOM 0 H ASN A 44 13.194 9.687 -3.115 1.00 0.00 H new ATOM 0 HA ASN A 44 14.689 11.785 -4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.148 11.196 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.479 12.302 -1.532 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.114 15.009 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.478 14.350 -2.424 1.00 0.00 H new ATOM 744 N ARG A 45 16.340 9.796 -2.309 1.00 0.00 N ATOM 745 CA ARG A 45 17.677 9.454 -1.840 1.00 0.00 C ATOM 746 C ARG A 45 18.496 8.794 -2.959 1.00 0.00 C ATOM 747 O ARG A 45 19.720 8.684 -2.875 1.00 0.00 O ATOM 748 CB ARG A 45 17.572 8.507 -0.646 1.00 0.00 C ATOM 749 CG ARG A 45 17.490 9.224 0.692 1.00 0.00 C ATOM 750 CD ARG A 45 18.672 10.159 0.901 1.00 0.00 C ATOM 751 NE ARG A 45 19.370 9.888 2.155 1.00 0.00 N ATOM 752 CZ ARG A 45 20.255 8.907 2.316 1.00 0.00 C ATOM 753 NH1 ARG A 45 20.552 8.099 1.306 1.00 0.00 N ATOM 754 NH2 ARG A 45 20.845 8.732 3.491 1.00 0.00 N ATOM 0 H ARG A 45 15.643 9.067 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 45 18.186 10.370 -1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.689 7.879 -0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.437 7.844 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.562 9.793 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.459 8.490 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.368 10.055 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.323 11.191 0.897 1.00 0.00 H new ATOM 0 HE ARG A 45 19.167 10.487 2.956 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.101 8.228 0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.231 7.349 1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 45 20.620 9.349 4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.523 7.980 3.614 1.00 0.00 H new ATOM 768 N LYS A 46 17.786 8.316 -3.975 1.00 0.00 N ATOM 769 CA LYS A 46 18.383 7.605 -5.112 1.00 0.00 C ATOM 770 C LYS A 46 19.241 8.486 -6.038 1.00 0.00 C ATOM 771 O LYS A 46 20.445 8.263 -6.173 1.00 0.00 O ATOM 772 CB LYS A 46 17.228 7.014 -5.886 1.00 0.00 C ATOM 773 CG LYS A 46 17.203 5.495 -5.906 1.00 0.00 C ATOM 774 CD LYS A 46 15.861 4.963 -6.386 1.00 0.00 C ATOM 775 CE LYS A 46 15.245 4.004 -5.379 1.00 0.00 C ATOM 776 NZ LYS A 46 13.784 3.822 -5.605 1.00 0.00 N ATOM 0 H LYS A 46 16.772 8.409 -4.038 1.00 0.00 H new ATOM 0 HA LYS A 46 19.075 6.855 -4.730 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.294 7.376 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.269 7.379 -6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.995 5.126 -6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.409 5.114 -4.906 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.180 5.796 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.991 4.454 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.745 3.038 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.412 4.381 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.426 3.074 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.288 4.713 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.617 3.552 -6.595 1.00 0.00 H new ATOM 790 N PHE A 47 18.657 9.534 -6.614 1.00 0.00 N ATOM 791 CA PHE A 47 19.429 10.455 -7.441 1.00 0.00 C ATOM 792 C PHE A 47 20.361 11.117 -6.498 1.00 0.00 C ATOM 793 O PHE A 47 21.515 11.412 -6.793 1.00 0.00 O ATOM 794 CB PHE A 47 18.580 11.501 -8.144 1.00 0.00 C ATOM 795 CG PHE A 47 17.717 12.318 -7.241 1.00 0.00 C ATOM 796 CD1 PHE A 47 16.444 11.892 -6.948 1.00 0.00 C ATOM 797 CD2 PHE A 47 18.164 13.519 -6.713 1.00 0.00 C ATOM 798 CE1 PHE A 47 15.617 12.641 -6.138 1.00 0.00 C ATOM 799 CE2 PHE A 47 17.343 14.279 -5.902 1.00 0.00 C ATOM 800 CZ PHE A 47 16.065 13.839 -5.615 1.00 0.00 C ATOM 0 H PHE A 47 17.667 9.764 -6.525 1.00 0.00 H new ATOM 0 HA PHE A 47 19.926 9.909 -8.243 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.238 12.170 -8.698 1.00 0.00 H new ATOM 0 HB3 PHE A 47 17.945 11.001 -8.876 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.087 10.959 -7.357 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.163 13.864 -6.937 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.620 12.292 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 47 17.699 15.213 -5.494 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.418 14.430 -4.984 1.00 0.00 H new ATOM 810 N GLU A 48 19.818 11.262 -5.311 1.00 0.00 N ATOM 811 CA GLU A 48 20.519 11.787 -4.194 1.00 0.00 C ATOM 812 C GLU A 48 21.845 11.032 -4.038 1.00 0.00 C ATOM 813 O GLU A 48 22.749 11.470 -3.327 1.00 0.00 O ATOM 814 CB GLU A 48 19.621 11.586 -2.983 1.00 0.00 C ATOM 815 CG GLU A 48 19.241 12.883 -2.282 1.00 0.00 C ATOM 816 CD GLU A 48 20.383 13.465 -1.474 1.00 0.00 C ATOM 817 OE1 GLU A 48 20.706 12.897 -0.408 1.00 0.00 O ATOM 818 OE2 GLU A 48 20.955 14.488 -1.904 1.00 0.00 O ATOM 0 H GLU A 48 18.852 11.008 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 48 20.753 12.845 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.712 11.073 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.126 10.933 -2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.918 13.612 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.391 12.701 -1.624 1.00 0.00 H new ATOM 825 N LYS A 49 21.942 9.889 -4.738 1.00 0.00 N ATOM 826 CA LYS A 49 23.136 9.056 -4.721 1.00 0.00 C ATOM 827 C LYS A 49 23.940 9.236 -5.998 1.00 0.00 C ATOM 828 O LYS A 49 24.753 8.378 -6.346 1.00 0.00 O ATOM 829 CB LYS A 49 22.767 7.580 -4.542 1.00 0.00 C ATOM 830 CG LYS A 49 22.352 7.223 -3.124 1.00 0.00 C ATOM 831 CD LYS A 49 23.340 6.265 -2.478 1.00 0.00 C ATOM 832 CE LYS A 49 22.666 5.382 -1.441 1.00 0.00 C ATOM 833 NZ LYS A 49 23.608 4.385 -0.856 1.00 0.00 N ATOM 0 H LYS A 49 21.193 9.526 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 49 23.748 9.370 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.953 7.333 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 49 23.620 6.964 -4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 49 22.280 8.131 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 49 21.360 6.770 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 49 23.798 5.641 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 24.143 6.832 -2.007 1.00 0.00 H new ATOM 0 HE2 LYS A 49 22.258 6.005 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 49 21.826 4.861 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 23.107 3.804 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.978 3.773 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 24.397 4.882 -0.395 1.00 0.00 H new ATOM 847 N GLY A 50 23.690 10.330 -6.725 1.00 0.00 N ATOM 848 CA GLY A 50 24.394 10.540 -7.984 1.00 0.00 C ATOM 849 C GLY A 50 24.237 9.305 -8.835 1.00 0.00 C ATOM 850 O GLY A 50 25.127 8.908 -9.587 1.00 0.00 O ATOM 0 H GLY A 50 23.026 11.061 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 50 23.991 11.410 -8.502 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.449 10.740 -7.799 1.00 0.00 H new ATOM 854 N GLU A 51 23.091 8.679 -8.630 1.00 0.00 N ATOM 855 CA GLU A 51 22.726 7.438 -9.266 1.00 0.00 C ATOM 856 C GLU A 51 21.997 7.655 -10.596 1.00 0.00 C ATOM 857 O GLU A 51 22.470 7.242 -11.656 1.00 0.00 O ATOM 858 CB GLU A 51 21.834 6.686 -8.269 1.00 0.00 C ATOM 859 CG GLU A 51 22.361 5.309 -7.897 1.00 0.00 C ATOM 860 CD GLU A 51 21.482 4.188 -8.415 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.320 4.082 -9.649 1.00 0.00 O ATOM 862 OE2 GLU A 51 20.953 3.416 -7.587 1.00 0.00 O ATOM 0 H GLU A 51 22.374 9.035 -7.998 1.00 0.00 H new ATOM 0 HA GLU A 51 23.621 6.867 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.732 7.284 -7.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.836 6.581 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.368 5.190 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.437 5.234 -6.812 1.00 0.00 H new ATOM 869 N VAL A 52 20.846 8.303 -10.518 1.00 0.00 N ATOM 870 CA VAL A 52 20.010 8.603 -11.662 1.00 0.00 C ATOM 871 C VAL A 52 19.158 9.737 -11.253 1.00 0.00 C ATOM 872 O VAL A 52 19.150 10.083 -10.083 1.00 0.00 O ATOM 873 CB VAL A 52 19.061 7.429 -12.027 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.368 6.218 -11.178 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.583 7.799 -11.869 1.00 0.00 C ATOM 0 H VAL A 52 20.461 8.641 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 52 20.644 8.805 -12.525 1.00 0.00 H new ATOM 0 HB VAL A 52 19.237 7.200 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.694 5.405 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.399 5.906 -11.348 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.233 6.468 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.963 6.943 -12.137 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.387 8.080 -10.834 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.346 8.638 -12.524 1.00 0.00 H new ATOM 885 N THR A 53 18.353 10.251 -12.136 1.00 0.00 N ATOM 886 CA THR A 53 17.448 11.243 -11.677 1.00 0.00 C ATOM 887 C THR A 53 16.046 10.655 -11.684 1.00 0.00 C ATOM 888 O THR A 53 15.330 10.669 -12.685 1.00 0.00 O ATOM 889 CB THR A 53 17.599 12.472 -12.541 1.00 0.00 C ATOM 890 OG1 THR A 53 16.927 13.582 -11.974 1.00 0.00 O ATOM 891 CG2 THR A 53 17.104 12.291 -13.959 1.00 0.00 C ATOM 0 H THR A 53 18.307 10.012 -13.126 1.00 0.00 H new ATOM 0 HA THR A 53 17.658 11.552 -10.653 1.00 0.00 H new ATOM 0 HB THR A 53 18.673 12.650 -12.583 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.042 14.365 -12.553 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.247 13.217 -14.515 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.664 11.489 -14.440 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.044 12.036 -13.945 1.00 0.00 H new ATOM 899 N TRP A 54 15.680 10.158 -10.507 1.00 0.00 N ATOM 900 CA TRP A 54 14.366 9.560 -10.254 1.00 0.00 C ATOM 901 C TRP A 54 13.833 9.976 -8.883 1.00 0.00 C ATOM 902 O TRP A 54 14.520 9.836 -7.874 1.00 0.00 O ATOM 903 CB TRP A 54 14.405 8.025 -10.348 1.00 0.00 C ATOM 904 CG TRP A 54 15.621 7.376 -9.744 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.612 7.970 -9.013 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.966 5.987 -9.825 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.570 7.045 -8.671 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.187 5.817 -9.143 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.364 4.870 -10.412 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.815 4.579 -9.035 1.00 0.00 C ATOM 911 CZ3 TRP A 54 15.987 3.641 -10.302 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.201 3.504 -9.618 1.00 0.00 C ATOM 0 H TRP A 54 16.291 10.157 -9.690 1.00 0.00 H new ATOM 0 HA TRP A 54 13.696 9.931 -11.029 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.518 7.624 -9.857 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.345 7.740 -11.398 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.638 9.015 -8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.425 7.241 -8.151 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.428 4.966 -10.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.753 4.471 -8.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.530 2.772 -10.751 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.662 2.530 -9.549 1.00 0.00 H new ATOM 923 N LYS A 55 12.604 10.478 -8.851 1.00 0.00 N ATOM 924 CA LYS A 55 11.974 10.909 -7.601 1.00 0.00 C ATOM 925 C LYS A 55 10.796 10.050 -7.236 1.00 0.00 C ATOM 926 O LYS A 55 10.177 9.394 -8.073 1.00 0.00 O ATOM 927 CB LYS A 55 11.505 12.355 -7.595 1.00 0.00 C ATOM 928 CG LYS A 55 11.546 12.999 -8.958 1.00 0.00 C ATOM 929 CD LYS A 55 11.510 14.516 -8.865 1.00 0.00 C ATOM 930 CE LYS A 55 12.848 15.076 -8.410 1.00 0.00 C ATOM 931 NZ LYS A 55 13.113 16.423 -8.988 1.00 0.00 N ATOM 0 H LYS A 55 12.019 10.598 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 55 12.774 10.806 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.486 12.398 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.129 12.930 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.451 12.688 -9.480 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.700 12.651 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.250 14.935 -9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.730 14.821 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.864 15.139 -7.322 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.645 14.393 -8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.035 16.769 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.123 16.359 -10.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.366 17.082 -8.689 1.00 0.00 H new ATOM 945 N MET A 56 10.509 10.085 -5.962 1.00 0.00 N ATOM 946 CA MET A 56 9.402 9.333 -5.394 1.00 0.00 C ATOM 947 C MET A 56 8.091 9.817 -6.015 1.00 0.00 C ATOM 948 O MET A 56 8.090 10.776 -6.788 1.00 0.00 O ATOM 949 CB MET A 56 9.323 9.592 -3.898 1.00 0.00 C ATOM 950 CG MET A 56 9.969 10.890 -3.443 1.00 0.00 C ATOM 951 SD MET A 56 9.304 12.325 -4.313 1.00 0.00 S ATOM 952 CE MET A 56 7.643 12.384 -3.649 1.00 0.00 C ATOM 0 H MET A 56 11.032 10.634 -5.280 1.00 0.00 H new ATOM 0 HA MET A 56 9.558 8.273 -5.592 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.275 9.600 -3.599 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.798 8.763 -3.374 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.815 11.014 -2.371 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.045 10.835 -3.606 1.00 0.00 H new ATOM 0 HE1 MET A 56 6.923 12.351 -4.467 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.484 11.530 -2.990 1.00 0.00 H new ATOM 0 HE3 MET A 56 7.509 13.307 -3.085 1.00 0.00 H new ATOM 962 N GLY A 57 6.973 9.178 -5.671 1.00 0.00 N ATOM 963 CA GLY A 57 5.704 9.603 -6.209 1.00 0.00 C ATOM 964 C GLY A 57 4.534 9.164 -5.358 1.00 0.00 C ATOM 965 O GLY A 57 3.383 9.355 -5.749 1.00 0.00 O ATOM 0 H GLY A 57 6.930 8.382 -5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.697 10.689 -6.297 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.587 9.201 -7.215 1.00 0.00 H new ATOM 969 N ILE A 58 4.813 8.578 -4.188 1.00 0.00 N ATOM 970 CA ILE A 58 3.752 8.133 -3.308 1.00 0.00 C ATOM 971 C ILE A 58 2.898 7.155 -4.056 1.00 0.00 C ATOM 972 O ILE A 58 2.000 7.552 -4.802 1.00 0.00 O ATOM 973 CB ILE A 58 2.881 9.312 -2.900 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.696 10.346 -2.111 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.658 8.852 -2.115 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.748 10.085 -0.616 1.00 0.00 C ATOM 0 H ILE A 58 5.757 8.407 -3.841 1.00 0.00 H new ATOM 0 HA ILE A 58 4.187 7.677 -2.418 1.00 0.00 H new ATOM 0 HB ILE A 58 2.521 9.794 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.714 10.365 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.271 11.335 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.056 9.718 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.062 8.178 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.979 8.330 -1.213 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.342 10.860 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.737 10.096 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.202 9.111 -0.432 1.00 0.00 H new ATOM 988 N ASN A 59 3.193 5.888 -3.918 1.00 0.00 N ATOM 989 CA ASN A 59 2.447 4.921 -4.661 1.00 0.00 C ATOM 990 C ASN A 59 0.984 4.872 -4.217 1.00 0.00 C ATOM 991 O ASN A 59 0.662 5.173 -3.067 1.00 0.00 O ATOM 992 CB ASN A 59 3.092 3.537 -4.576 1.00 0.00 C ATOM 993 CG ASN A 59 4.585 3.578 -4.831 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.383 3.656 -3.897 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.971 3.527 -6.101 1.00 0.00 N ATOM 0 H ASN A 59 3.925 5.514 -3.314 1.00 0.00 H new ATOM 0 HA ASN A 59 2.462 5.235 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.906 3.113 -3.589 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.620 2.874 -5.302 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.964 3.552 -6.334 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.275 3.463 -6.843 1.00 0.00 H new ATOM 1002 N HIS A 60 0.104 4.498 -5.146 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.329 4.416 -4.870 1.00 0.00 C ATOM 1004 C HIS A 60 -1.618 3.561 -3.637 1.00 0.00 C ATOM 1005 O HIS A 60 -2.258 4.012 -2.673 1.00 0.00 O ATOM 1006 CB HIS A 60 -2.070 3.846 -6.082 1.00 0.00 C ATOM 1007 CG HIS A 60 -1.423 2.628 -6.666 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -1.811 1.343 -6.346 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -0.410 2.501 -7.557 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -1.064 0.481 -7.014 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -0.208 1.159 -7.756 1.00 0.00 N ATOM 0 H HIS A 60 0.361 4.246 -6.100 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.684 5.427 -4.669 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.091 3.599 -5.790 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.136 4.616 -6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.137 3.307 -8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.141 -0.595 -6.962 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.491 0.751 -8.377 1.00 0.00 H new ATOM 1020 N LEU A 61 -1.154 2.321 -3.648 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.402 1.470 -2.508 1.00 0.00 C ATOM 1022 C LEU A 61 -0.644 1.938 -1.303 1.00 0.00 C ATOM 1023 O LEU A 61 -0.834 1.380 -0.236 1.00 0.00 O ATOM 1024 CB LEU A 61 -1.071 -0.003 -2.753 1.00 0.00 C ATOM 1025 CG LEU A 61 0.411 -0.415 -2.837 1.00 0.00 C ATOM 1026 CD1 LEU A 61 0.906 -0.359 -4.272 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.320 0.407 -1.927 1.00 0.00 C ATOM 0 H LEU A 61 -0.622 1.897 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.475 1.544 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.533 -0.585 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.552 -0.301 -3.684 1.00 0.00 H new ATOM 0 HG LEU A 61 0.461 -1.443 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.955 -0.654 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.317 -1.040 -4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.802 0.657 -4.653 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.349 0.065 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.256 1.459 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.004 0.285 -0.891 1.00 0.00 H new ATOM 1039 N ALA A 62 0.223 2.944 -1.443 1.00 0.00 N ATOM 1040 CA ALA A 62 0.976 3.389 -0.289 1.00 0.00 C ATOM 1041 C ALA A 62 0.057 3.867 0.803 1.00 0.00 C ATOM 1042 O ALA A 62 0.510 4.249 1.873 1.00 0.00 O ATOM 1043 CB ALA A 62 2.000 4.444 -0.590 1.00 0.00 C ATOM 0 H ALA A 62 0.411 3.444 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 62 1.528 2.511 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.518 4.721 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.720 4.057 -1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.506 5.322 -1.006 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.239 3.787 0.555 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.214 4.145 1.531 1.00 0.00 C ATOM 1051 C ASP A 63 -3.029 2.931 1.784 1.00 0.00 C ATOM 1052 O ASP A 63 -3.536 2.741 2.867 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.064 5.290 1.025 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.728 6.109 2.133 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.044 6.410 3.133 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -4.940 6.451 1.997 1.00 0.00 O ATOM 0 H ASP A 63 -1.629 3.470 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.749 4.486 2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.442 5.951 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.838 4.892 0.368 1.00 0.00 H new ATOM 1061 N LEU A 64 -3.095 2.069 0.781 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.795 0.830 0.938 1.00 0.00 C ATOM 1063 C LEU A 64 -3.014 -0.314 0.329 1.00 0.00 C ATOM 1064 O LEU A 64 -3.113 -0.622 -0.845 1.00 0.00 O ATOM 1065 CB LEU A 64 -5.130 0.905 0.276 1.00 0.00 C ATOM 1066 CG LEU A 64 -5.038 1.283 -1.199 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.976 0.058 -2.074 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.183 2.188 -1.613 1.00 0.00 C ATOM 0 H LEU A 64 -2.673 2.213 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.918 0.652 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.631 -0.059 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.748 1.637 0.796 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.111 1.839 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.911 0.360 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.098 -0.532 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.874 -0.541 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.086 2.437 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.130 1.675 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.157 3.102 -1.020 1.00 0.00 H new ATOM 1080 N THR A 65 -2.262 -0.947 1.164 1.00 0.00 N ATOM 1081 CA THR A 65 -1.456 -2.098 0.770 1.00 0.00 C ATOM 1082 C THR A 65 -2.105 -3.345 1.336 1.00 0.00 C ATOM 1083 O THR A 65 -3.105 -3.232 2.027 1.00 0.00 O ATOM 1084 CB THR A 65 -0.014 -2.016 1.293 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.104 -1.069 2.313 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.000 -1.684 0.225 1.00 0.00 C ATOM 0 H THR A 65 -2.175 -0.695 2.149 1.00 0.00 H new ATOM 0 HA THR A 65 -1.410 -2.119 -0.319 1.00 0.00 H new ATOM 0 HB THR A 65 0.202 -3.016 1.669 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.944 -1.212 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.995 -1.643 0.668 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.978 -2.452 -0.548 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.760 -0.717 -0.217 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.524 -4.547 1.131 1.00 0.00 N ATOM 1095 CA PRO A 66 -2.034 -5.792 1.720 1.00 0.00 C ATOM 1096 C PRO A 66 -2.618 -5.532 3.103 1.00 0.00 C ATOM 1097 O PRO A 66 -3.571 -6.187 3.524 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.758 -6.648 1.824 1.00 0.00 C ATOM 1099 CG PRO A 66 0.330 -5.685 1.481 1.00 0.00 C ATOM 1100 CD PRO A 66 -0.283 -4.831 0.431 1.00 0.00 C ATOM 0 HA PRO A 66 -2.832 -6.258 1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.630 -7.060 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.782 -7.491 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.635 -5.099 2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.219 -6.198 1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.300 -3.937 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.433 -5.354 -0.514 1.00 0.00 H new ATOM 1108 N GLU A 67 -2.061 -4.526 3.785 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.560 -4.133 5.096 1.00 0.00 C ATOM 1110 C GLU A 67 -4.025 -3.826 4.944 1.00 0.00 C ATOM 1111 O GLU A 67 -4.902 -4.411 5.578 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.900 -2.808 5.539 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.555 -2.508 4.907 1.00 0.00 C ATOM 1114 CD GLU A 67 0.386 -3.699 4.907 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.232 -4.577 5.782 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.276 -3.753 4.032 1.00 0.00 O ATOM 0 H GLU A 67 -1.270 -3.976 3.450 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.355 -4.928 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.581 -1.988 5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.777 -2.827 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.709 -2.176 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.086 -1.683 5.442 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.237 -2.910 4.025 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.548 -2.461 3.632 1.00 0.00 C ATOM 1125 C GLU A 68 -6.213 -3.476 2.714 1.00 0.00 C ATOM 1126 O GLU A 68 -7.363 -3.863 2.891 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.423 -1.121 2.931 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.746 -0.591 2.434 1.00 0.00 C ATOM 1129 CD GLU A 68 -7.139 -1.229 1.122 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -6.219 -1.561 0.341 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.351 -1.400 0.876 1.00 0.00 O ATOM 0 H GLU A 68 -3.481 -2.447 3.520 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.171 -2.354 4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.983 -0.398 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.738 -1.220 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.519 -0.782 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.683 0.490 2.310 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.444 -3.856 1.701 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.868 -4.782 0.665 1.00 0.00 C ATOM 1140 C PHE A 69 -6.420 -6.083 1.249 1.00 0.00 C ATOM 1141 O PHE A 69 -7.484 -6.552 0.840 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.662 -5.075 -0.240 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.596 -4.239 -1.493 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.459 -4.504 -2.544 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.663 -3.201 -1.636 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.405 -3.765 -3.710 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.615 -2.464 -2.803 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.484 -2.746 -3.840 1.00 0.00 C ATOM 0 H PHE A 69 -4.489 -3.521 1.577 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.676 -4.326 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.748 -4.918 0.333 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.684 -6.127 -0.523 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.184 -5.299 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.980 -2.977 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.084 -3.985 -4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.896 -1.665 -2.906 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.442 -2.169 -4.752 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.692 -6.667 2.191 1.00 0.00 N ATOM 1159 CA ALA A 70 -6.106 -7.920 2.815 1.00 0.00 C ATOM 1160 C ALA A 70 -7.128 -7.702 3.930 1.00 0.00 C ATOM 1161 O ALA A 70 -7.877 -8.616 4.278 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.892 -8.661 3.353 1.00 0.00 C ATOM 0 H ALA A 70 -4.810 -6.294 2.542 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.590 -8.522 2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.211 -9.594 3.817 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.206 -8.879 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.387 -8.042 4.094 1.00 0.00 H new ATOM 1168 N GLN A 71 -7.151 -6.501 4.499 1.00 0.00 N ATOM 1169 CA GLN A 71 -8.081 -6.194 5.586 1.00 0.00 C ATOM 1170 C GLN A 71 -9.301 -5.416 5.095 1.00 0.00 C ATOM 1171 O GLN A 71 -10.238 -5.180 5.857 1.00 0.00 O ATOM 1172 CB GLN A 71 -7.366 -5.404 6.683 1.00 0.00 C ATOM 1173 CG GLN A 71 -6.182 -6.140 7.287 1.00 0.00 C ATOM 1174 CD GLN A 71 -5.481 -5.334 8.364 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -5.949 -4.267 8.761 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -4.351 -5.842 8.842 1.00 0.00 N ATOM 0 H GLN A 71 -6.542 -5.728 4.230 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.435 -7.143 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.022 -4.455 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.079 -5.169 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.524 -7.085 7.710 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.470 -6.383 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -3.999 -6.730 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.835 -5.344 9.567 1.00 0.00 H new ATOM 1185 N ARG A 72 -9.299 -5.030 3.822 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.416 -4.298 3.247 1.00 0.00 C ATOM 1187 C ARG A 72 -11.442 -5.280 2.710 1.00 0.00 C ATOM 1188 O ARG A 72 -12.648 -5.041 2.774 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.943 -3.356 2.136 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.398 -4.073 0.909 1.00 0.00 C ATOM 1191 CD ARG A 72 -10.377 -4.014 -0.252 1.00 0.00 C ATOM 1192 NE ARG A 72 -10.008 -4.931 -1.328 1.00 0.00 N ATOM 1193 CZ ARG A 72 -10.724 -5.096 -2.438 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -11.847 -4.411 -2.620 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -10.317 -5.948 -3.369 1.00 0.00 N ATOM 0 H ARG A 72 -8.535 -5.213 3.172 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.873 -3.688 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.775 -2.720 1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.169 -2.700 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.452 -3.620 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.189 -5.114 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.377 -4.258 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.417 -2.997 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.152 -5.476 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.165 -3.754 -1.907 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.392 -4.542 -3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.455 -6.477 -3.235 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.866 -6.074 -4.220 1.00 0.00 H new ATOM 1209 N SER A 73 -10.943 -6.399 2.193 1.00 0.00 N ATOM 1210 CA SER A 73 -11.797 -7.442 1.653 1.00 0.00 C ATOM 1211 C SER A 73 -10.966 -8.579 1.069 1.00 0.00 C ATOM 1212 O SER A 73 -11.262 -9.089 -0.012 1.00 0.00 O ATOM 1213 CB SER A 73 -12.737 -6.874 0.586 1.00 0.00 C ATOM 1214 OG SER A 73 -13.946 -6.412 1.163 1.00 0.00 O ATOM 0 H SER A 73 -9.945 -6.604 2.138 1.00 0.00 H new ATOM 0 HA SER A 73 -12.397 -7.839 2.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.244 -6.055 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.955 -7.642 -0.156 1.00 0.00 H new ATOM 0 HG SER A 73 -13.751 -5.691 1.798 1.00 0.00 H new ATOM 1220 N GLY A 74 -9.923 -8.974 1.793 1.00 0.00 N ATOM 1221 CA GLY A 74 -9.065 -10.050 1.333 1.00 0.00 C ATOM 1222 C GLY A 74 -9.111 -11.258 2.248 1.00 0.00 C ATOM 1223 O GLY A 74 -8.981 -12.395 1.793 1.00 0.00 O ATOM 0 H GLY A 74 -9.657 -8.568 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.366 -10.347 0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.039 -9.689 1.264 1.00 0.00 H new ATOM 1227 N LYS A 75 -9.297 -11.012 3.541 1.00 0.00 N ATOM 1228 CA LYS A 75 -9.360 -12.088 4.523 1.00 0.00 C ATOM 1229 C LYS A 75 -10.667 -12.028 5.310 1.00 0.00 C ATOM 1230 O LYS A 75 -11.464 -12.966 5.281 1.00 0.00 O ATOM 1231 CB LYS A 75 -8.168 -12.003 5.479 1.00 0.00 C ATOM 1232 CG LYS A 75 -7.234 -13.198 5.394 1.00 0.00 C ATOM 1233 CD LYS A 75 -7.830 -14.421 6.072 1.00 0.00 C ATOM 1234 CE LYS A 75 -6.782 -15.186 6.864 1.00 0.00 C ATOM 1235 NZ LYS A 75 -7.394 -16.218 7.747 1.00 0.00 N ATOM 0 H LYS A 75 -9.407 -10.077 3.933 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.321 -13.038 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.604 -11.096 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.538 -11.913 6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.027 -13.425 4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.281 -12.950 5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.637 -14.113 6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.270 -15.077 5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.085 -15.665 6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.204 -14.488 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.840 -17.096 7.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.401 -15.875 8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.370 -16.404 7.439 1.00 0.00 H new ATOM 1249 N LYS A 76 -10.880 -10.919 6.009 1.00 0.00 N ATOM 1250 CA LYS A 76 -12.089 -10.734 6.803 1.00 0.00 C ATOM 1251 C LYS A 76 -12.212 -11.821 7.867 1.00 0.00 C ATOM 1252 O LYS A 76 -13.054 -12.713 7.764 1.00 0.00 O ATOM 1253 CB LYS A 76 -13.324 -10.741 5.899 1.00 0.00 C ATOM 1254 CG LYS A 76 -13.792 -9.352 5.498 1.00 0.00 C ATOM 1255 CD LYS A 76 -14.738 -9.403 4.310 1.00 0.00 C ATOM 1256 CE LYS A 76 -15.485 -8.090 4.136 1.00 0.00 C ATOM 1257 NZ LYS A 76 -16.704 -8.252 3.296 1.00 0.00 N ATOM 0 H LYS A 76 -10.230 -10.133 6.042 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.022 -9.768 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.102 -11.314 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.137 -11.255 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.292 -8.878 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.929 -8.734 5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.174 -9.625 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.453 -10.214 4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.767 -7.700 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.824 -7.354 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.185 -7.335 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.433 -8.600 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.347 -8.935 3.745 1.00 0.00 H new ATOM 1271 N VAL A 77 -11.368 -11.738 8.890 1.00 0.00 N ATOM 1272 CA VAL A 77 -11.380 -12.711 9.974 1.00 0.00 C ATOM 1273 C VAL A 77 -11.118 -12.039 11.319 1.00 0.00 C ATOM 1274 O VAL A 77 -10.567 -10.939 11.374 1.00 0.00 O ATOM 1275 CB VAL A 77 -10.329 -13.815 9.752 1.00 0.00 C ATOM 1276 CG1 VAL A 77 -10.757 -14.742 8.624 1.00 0.00 C ATOM 1277 CG2 VAL A 77 -8.967 -13.203 9.461 1.00 0.00 C ATOM 0 H VAL A 77 -10.666 -11.005 8.990 1.00 0.00 H new ATOM 0 HA VAL A 77 -12.372 -13.162 9.982 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.250 -14.405 10.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -10.002 -15.515 8.482 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.710 -15.207 8.877 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.866 -14.169 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.237 -13.997 9.307 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.029 -12.588 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.658 -12.585 10.304 1.00 0.00 H new ATOM 1287 N PRO A 78 -11.509 -12.693 12.426 1.00 0.00 N ATOM 1288 CA PRO A 78 -11.311 -12.150 13.774 1.00 0.00 C ATOM 1289 C PRO A 78 -9.865 -11.726 14.021 1.00 0.00 C ATOM 1290 O PRO A 78 -8.932 -12.370 13.541 1.00 0.00 O ATOM 1291 CB PRO A 78 -11.688 -13.319 14.687 1.00 0.00 C ATOM 1292 CG PRO A 78 -12.628 -14.144 13.878 1.00 0.00 C ATOM 1293 CD PRO A 78 -12.172 -14.011 12.451 1.00 0.00 C ATOM 0 HA PRO A 78 -11.904 -11.251 13.943 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.808 -13.893 14.979 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.159 -12.968 15.605 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.608 -15.186 14.199 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.654 -13.794 13.994 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.486 -14.811 12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.010 -14.052 11.756 1.00 0.00 H new ATOM 1301 N PRO A 79 -9.657 -10.632 14.776 1.00 0.00 N ATOM 1302 CA PRO A 79 -8.315 -10.128 15.079 1.00 0.00 C ATOM 1303 C PRO A 79 -7.583 -11.004 16.092 1.00 0.00 C ATOM 1304 O PRO A 79 -8.037 -12.099 16.423 1.00 0.00 O ATOM 1305 CB PRO A 79 -8.582 -8.743 15.665 1.00 0.00 C ATOM 1306 CG PRO A 79 -9.943 -8.844 16.262 1.00 0.00 C ATOM 1307 CD PRO A 79 -10.711 -9.799 15.389 1.00 0.00 C ATOM 0 HA PRO A 79 -7.674 -10.116 14.197 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.838 -8.480 16.417 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -8.543 -7.972 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.893 -9.208 17.288 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.428 -7.868 16.294 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -11.410 -10.400 15.970 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.295 -9.272 14.635 1.00 0.00 H new ATOM 1315 N ASN A 80 -6.448 -10.513 16.579 1.00 0.00 N ATOM 1316 CA ASN A 80 -5.654 -11.250 17.555 1.00 0.00 C ATOM 1317 C ASN A 80 -5.074 -10.310 18.606 1.00 0.00 C ATOM 1318 O ASN A 80 -5.519 -9.145 18.667 1.00 0.00 O ATOM 1319 CB ASN A 80 -4.525 -12.010 16.856 1.00 0.00 C ATOM 1320 CG ASN A 80 -3.650 -11.101 16.016 1.00 0.00 C ATOM 1321 OD1 ASN A 80 -3.270 -10.013 16.448 1.00 0.00 O ATOM 1322 ND2 ASN A 80 -3.324 -11.545 14.808 1.00 0.00 N ATOM 1323 OXT ASN A 80 -4.180 -10.748 19.361 1.00 0.00 O ATOM 0 H ASN A 80 -6.058 -9.609 16.314 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.309 -11.964 18.054 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.911 -12.511 17.604 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -4.952 -12.787 16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -2.736 -10.977 14.198 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.661 -12.454 14.490 1.00 0.00 H new TER 1330 ASN A 80