USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.888 K(o=1.9,f=-1.6) USER MOD Set 1.2: A 91 THR OG1 : rot -108:sc= 1.03 USER MOD Set 2.1: A 46 ASN : amide:sc= -1.47 K(o=-1.7,f=-0.19) USER MOD Set 2.2: A 78 SER OG : rot -130:sc= -0.207 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.163 (180deg=-0.67) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.118 (180deg=-0.118) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.59) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.046 X(o=-0.046,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-0.76) USER MOD Single : A 10 ASN : amide:sc=-0.00837 X(o=-0.0084,f=-0.0099) USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.074) USER MOD Single : A 17 MET CE :methyl -128:sc= -0.068 (180deg=-0.166) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.0371 X(o=0.037,f=-0.04) USER MOD Single : A 33 HIS : no HE2:sc= -0.338 K(o=-0.34,f=-2.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 44 HIS : no HE2:sc= 0.475 K(o=0.72,f=-3.1!) USER MOD Single : A 56 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.58) USER MOD Single : A 58 SER OG : rot 80:sc= 0.101 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0183 (180deg=-0.172) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0332) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 0.261 (180deg=-0.124) USER MOD Single : A 79 SER OG : rot -34:sc= 0.0653 USER MOD Single : A 84 ASN : amide:sc= -3.26! K(o=-3.3!,f=-1.4) USER MOD Single : A 87 SER OG : rot 139:sc= -0.319 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 39:sc= 0.498 USER MOD Single : A 95 ASN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.728 -11.525 21.144 1.00 33.05 N ATOM 2 CA MET A 1 3.265 -11.298 21.119 1.00 61.24 C ATOM 3 C MET A 1 2.918 -9.817 20.866 1.00 23.12 C ATOM 4 O MET A 1 1.739 -9.490 20.674 1.00 51.50 O ATOM 5 CB MET A 1 2.620 -11.786 22.442 1.00 1.20 C ATOM 6 CG MET A 1 3.077 -11.047 23.711 1.00 64.10 C ATOM 7 SD MET A 1 2.269 -11.656 25.209 1.00 44.41 S ATOM 8 CE MET A 1 0.534 -11.388 24.823 1.00 33.45 C ATOM 0 H1 MET A 1 4.920 -12.532 21.317 1.00 33.05 H new ATOM 0 H2 MET A 1 5.138 -11.246 20.230 1.00 33.05 H new ATOM 0 H3 MET A 1 5.155 -10.956 21.903 1.00 33.05 H new ATOM 0 HA MET A 1 2.857 -11.876 20.290 1.00 61.24 H new ATOM 0 HB2 MET A 1 1.538 -11.690 22.356 1.00 1.20 H new ATOM 0 HB3 MET A 1 2.837 -12.847 22.562 1.00 1.20 H new ATOM 0 HG2 MET A 1 4.157 -11.153 23.818 1.00 64.10 H new ATOM 0 HG3 MET A 1 2.870 -9.983 23.600 1.00 64.10 H new ATOM 0 HE1 MET A 1 -0.051 -11.410 25.743 1.00 33.45 H new ATOM 0 HE2 MET A 1 0.414 -10.418 24.340 1.00 33.45 H new ATOM 0 HE3 MET A 1 0.185 -12.173 24.152 1.00 33.45 H new ATOM 20 N GLY A 2 3.943 -8.934 20.868 1.00 60.54 N ATOM 21 CA GLY A 2 3.762 -7.491 20.676 1.00 3.33 C ATOM 22 C GLY A 2 4.352 -7.014 19.361 1.00 51.13 C ATOM 23 O GLY A 2 5.397 -7.522 18.931 1.00 43.42 O ATOM 0 H GLY A 2 4.916 -9.210 21.003 1.00 60.54 H new ATOM 0 HA2 GLY A 2 2.699 -7.252 20.704 1.00 3.33 H new ATOM 0 HA3 GLY A 2 4.232 -6.954 21.500 1.00 3.33 H new ATOM 27 N HIS A 3 3.677 -6.044 18.711 1.00 11.34 N ATOM 28 CA HIS A 3 4.189 -5.381 17.499 1.00 70.03 C ATOM 29 C HIS A 3 5.222 -4.313 17.895 1.00 72.20 C ATOM 30 O HIS A 3 4.920 -3.117 17.973 1.00 64.53 O ATOM 31 CB HIS A 3 3.033 -4.775 16.649 1.00 44.20 C ATOM 32 CG HIS A 3 2.198 -5.806 15.939 1.00 52.30 C ATOM 33 ND1 HIS A 3 0.946 -6.198 16.363 1.00 21.43 N ATOM 34 CD2 HIS A 3 2.452 -6.530 14.821 1.00 33.15 C ATOM 35 CE1 HIS A 3 0.472 -7.110 15.543 1.00 70.04 C ATOM 36 NE2 HIS A 3 1.364 -7.329 14.604 1.00 2.04 N ATOM 0 H HIS A 3 2.765 -5.701 19.012 1.00 11.34 H new ATOM 0 HA HIS A 3 4.680 -6.125 16.871 1.00 70.03 H new ATOM 0 HB2 HIS A 3 2.388 -4.183 17.299 1.00 44.20 H new ATOM 0 HB3 HIS A 3 3.456 -4.092 15.912 1.00 44.20 H new ATOM 0 HD2 HIS A 3 3.345 -6.484 14.216 1.00 33.15 H new ATOM 0 HE1 HIS A 3 -0.488 -7.597 15.627 1.00 70.04 H new ATOM 0 HE2 HIS A 3 1.261 -7.991 13.835 1.00 2.04 H new ATOM 45 N HIS A 4 6.439 -4.783 18.205 1.00 51.54 N ATOM 46 CA HIS A 4 7.579 -3.922 18.528 1.00 12.23 C ATOM 47 C HIS A 4 8.186 -3.441 17.204 1.00 63.41 C ATOM 48 O HIS A 4 8.963 -4.170 16.575 1.00 2.04 O ATOM 49 CB HIS A 4 8.607 -4.696 19.403 1.00 53.41 C ATOM 50 CG HIS A 4 8.014 -5.240 20.686 1.00 41.23 C ATOM 51 ND1 HIS A 4 7.610 -4.432 21.729 1.00 14.43 N ATOM 52 CD2 HIS A 4 7.713 -6.508 21.071 1.00 23.33 C ATOM 53 CE1 HIS A 4 7.094 -5.176 22.689 1.00 54.51 C ATOM 54 NE2 HIS A 4 7.143 -6.437 22.315 1.00 70.02 N ATOM 0 H HIS A 4 6.658 -5.779 18.238 1.00 51.54 H new ATOM 0 HA HIS A 4 7.267 -3.057 19.113 1.00 12.23 H new ATOM 0 HB2 HIS A 4 9.018 -5.522 18.823 1.00 53.41 H new ATOM 0 HB3 HIS A 4 9.437 -4.033 19.647 1.00 53.41 H new ATOM 0 HD2 HIS A 4 7.891 -7.408 20.500 1.00 23.33 H new ATOM 0 HE1 HIS A 4 6.698 -4.811 23.625 1.00 54.51 H new ATOM 0 HE2 HIS A 4 6.811 -7.231 22.862 1.00 70.02 H new ATOM 63 N HIS A 5 7.733 -2.249 16.752 1.00 13.22 N ATOM 64 CA HIS A 5 8.088 -1.668 15.433 1.00 0.12 C ATOM 65 C HIS A 5 9.543 -1.146 15.420 1.00 30.54 C ATOM 66 O HIS A 5 9.819 0.060 15.430 1.00 4.45 O ATOM 67 CB HIS A 5 7.056 -0.572 15.016 1.00 53.12 C ATOM 68 CG HIS A 5 6.763 0.471 16.068 1.00 60.55 C ATOM 69 ND1 HIS A 5 5.724 0.347 16.962 1.00 22.15 N ATOM 70 CD2 HIS A 5 7.365 1.655 16.365 1.00 11.13 C ATOM 71 CE1 HIS A 5 5.698 1.394 17.758 1.00 54.15 C ATOM 72 NE2 HIS A 5 6.679 2.200 17.418 1.00 62.14 N ATOM 0 H HIS A 5 7.105 -1.657 17.296 1.00 13.22 H new ATOM 0 HA HIS A 5 8.037 -2.459 14.685 1.00 0.12 H new ATOM 0 HB2 HIS A 5 7.426 -0.069 14.122 1.00 53.12 H new ATOM 0 HB3 HIS A 5 6.121 -1.061 14.743 1.00 53.12 H new ATOM 0 HD2 HIS A 5 8.221 2.084 15.865 1.00 11.13 H new ATOM 0 HE1 HIS A 5 4.990 1.563 18.556 1.00 54.15 H new ATOM 0 HE2 HIS A 5 6.895 3.090 17.867 1.00 62.14 H new ATOM 81 N HIS A 6 10.467 -2.097 15.424 1.00 65.11 N ATOM 82 CA HIS A 6 11.903 -1.851 15.389 1.00 33.32 C ATOM 83 C HIS A 6 12.352 -1.965 13.936 1.00 75.54 C ATOM 84 O HIS A 6 12.001 -2.952 13.265 1.00 41.54 O ATOM 85 CB HIS A 6 12.620 -2.910 16.274 1.00 5.51 C ATOM 86 CG HIS A 6 14.123 -2.772 16.353 1.00 54.10 C ATOM 87 ND1 HIS A 6 14.754 -1.854 17.163 1.00 60.13 N ATOM 88 CD2 HIS A 6 15.117 -3.445 15.721 1.00 61.45 C ATOM 89 CE1 HIS A 6 16.060 -1.969 17.027 1.00 53.25 C ATOM 90 NE2 HIS A 6 16.306 -2.927 16.159 1.00 34.22 N ATOM 0 H HIS A 6 10.232 -3.089 15.452 1.00 65.11 H new ATOM 0 HA HIS A 6 12.149 -0.861 15.774 1.00 33.32 H new ATOM 0 HB2 HIS A 6 12.212 -2.853 17.283 1.00 5.51 H new ATOM 0 HB3 HIS A 6 12.382 -3.902 15.890 1.00 5.51 H new ATOM 0 HD2 HIS A 6 14.993 -4.243 15.004 1.00 61.45 H new ATOM 0 HE1 HIS A 6 16.803 -1.377 17.541 1.00 53.25 H new ATOM 0 HE2 HIS A 6 17.232 -3.234 15.861 1.00 34.22 H new ATOM 99 N HIS A 7 13.083 -0.951 13.443 1.00 54.53 N ATOM 100 CA HIS A 7 13.775 -1.033 12.153 1.00 63.13 C ATOM 101 C HIS A 7 14.868 -2.102 12.257 1.00 34.23 C ATOM 102 O HIS A 7 15.982 -1.827 12.720 1.00 43.40 O ATOM 103 CB HIS A 7 14.376 0.344 11.716 1.00 1.03 C ATOM 104 CG HIS A 7 13.383 1.307 11.114 1.00 15.01 C ATOM 105 ND1 HIS A 7 13.354 2.656 11.413 1.00 42.42 N ATOM 106 CD2 HIS A 7 12.435 1.120 10.165 1.00 72.20 C ATOM 107 CE1 HIS A 7 12.439 3.246 10.674 1.00 42.24 C ATOM 108 NE2 HIS A 7 11.868 2.339 9.908 1.00 35.15 N ATOM 0 H HIS A 7 13.208 -0.061 13.925 1.00 54.53 H new ATOM 0 HA HIS A 7 13.054 -1.308 11.383 1.00 63.13 H new ATOM 0 HB2 HIS A 7 14.837 0.815 12.584 1.00 1.03 H new ATOM 0 HB3 HIS A 7 15.171 0.164 10.992 1.00 1.03 H new ATOM 0 HD2 HIS A 7 12.174 0.182 9.697 1.00 72.20 H new ATOM 0 HE1 HIS A 7 12.197 4.298 10.692 1.00 42.24 H new ATOM 0 HE2 HIS A 7 11.124 2.516 9.233 1.00 35.15 H new ATOM 117 N HIS A 8 14.476 -3.351 11.928 1.00 31.43 N ATOM 118 CA HIS A 8 15.405 -4.478 11.802 1.00 21.10 C ATOM 119 C HIS A 8 16.277 -4.257 10.546 1.00 51.25 C ATOM 120 O HIS A 8 17.204 -3.435 10.624 1.00 53.14 O ATOM 121 CB HIS A 8 14.671 -5.872 11.873 1.00 21.30 C ATOM 122 CG HIS A 8 13.425 -6.049 11.015 1.00 53.42 C ATOM 123 ND1 HIS A 8 13.323 -6.985 10.001 1.00 14.53 N ATOM 124 CD2 HIS A 8 12.206 -5.448 11.073 1.00 0.35 C ATOM 125 CE1 HIS A 8 12.106 -6.946 9.487 1.00 2.51 C ATOM 126 NE2 HIS A 8 11.416 -6.026 10.116 1.00 73.12 N ATOM 0 H HIS A 8 13.504 -3.600 11.743 1.00 31.43 H new ATOM 0 HA HIS A 8 16.077 -4.513 12.659 1.00 21.10 H new ATOM 0 HB2 HIS A 8 15.387 -6.645 11.592 1.00 21.30 H new ATOM 0 HB3 HIS A 8 14.395 -6.055 12.911 1.00 21.30 H new ATOM 0 HD2 HIS A 8 11.915 -4.659 11.750 1.00 0.35 H new ATOM 0 HE1 HIS A 8 11.741 -7.568 8.683 1.00 2.51 H new ATOM 0 HE2 HIS A 8 10.445 -5.780 9.923 1.00 73.12 H new ATOM 135 N GLU A 9 15.991 -4.943 9.408 1.00 11.04 N ATOM 136 CA GLU A 9 16.631 -4.690 8.074 1.00 51.33 C ATOM 137 C GLU A 9 18.144 -5.103 8.004 1.00 51.23 C ATOM 138 O GLU A 9 18.660 -5.441 6.922 1.00 25.33 O ATOM 139 CB GLU A 9 16.389 -3.215 7.623 1.00 41.51 C ATOM 140 CG GLU A 9 16.991 -2.840 6.260 1.00 1.52 C ATOM 141 CD GLU A 9 16.550 -1.453 5.757 1.00 0.34 C ATOM 142 OE1 GLU A 9 17.043 -0.422 6.273 1.00 32.24 O ATOM 143 OE2 GLU A 9 15.700 -1.390 4.842 1.00 53.23 O ATOM 0 H GLU A 9 15.304 -5.696 9.383 1.00 11.04 H new ATOM 0 HA GLU A 9 16.139 -5.350 7.360 1.00 51.33 H new ATOM 0 HB2 GLU A 9 15.315 -3.034 7.590 1.00 41.51 H new ATOM 0 HB3 GLU A 9 16.802 -2.548 8.380 1.00 41.51 H new ATOM 0 HG2 GLU A 9 18.078 -2.863 6.333 1.00 1.52 H new ATOM 0 HG3 GLU A 9 16.705 -3.593 5.525 1.00 1.52 H new ATOM 150 N ASN A 10 18.836 -5.122 9.168 1.00 74.33 N ATOM 151 CA ASN A 10 20.213 -5.636 9.308 1.00 1.40 C ATOM 152 C ASN A 10 20.217 -7.166 9.122 1.00 52.53 C ATOM 153 O ASN A 10 19.151 -7.784 9.026 1.00 64.13 O ATOM 154 CB ASN A 10 20.774 -5.246 10.709 1.00 1.03 C ATOM 155 CG ASN A 10 20.043 -5.946 11.867 1.00 30.42 C ATOM 156 OD1 ASN A 10 19.023 -5.461 12.361 1.00 62.32 O ATOM 157 ND2 ASN A 10 20.567 -7.080 12.315 1.00 54.44 N ATOM 0 H ASN A 10 18.446 -4.776 10.045 1.00 74.33 H new ATOM 0 HA ASN A 10 20.851 -5.194 8.543 1.00 1.40 H new ATOM 0 HB2 ASN A 10 21.834 -5.496 10.752 1.00 1.03 H new ATOM 0 HB3 ASN A 10 20.696 -4.166 10.837 1.00 1.03 H new ATOM 0 HD21 ASN A 10 20.125 -7.575 13.089 1.00 54.44 H new ATOM 0 HD22 ASN A 10 21.412 -7.456 11.885 1.00 54.44 H new ATOM 164 N LEU A 11 21.425 -7.751 9.041 1.00 23.00 N ATOM 165 CA LEU A 11 21.652 -9.200 8.798 1.00 14.31 C ATOM 166 C LEU A 11 21.414 -9.570 7.304 1.00 74.10 C ATOM 167 O LEU A 11 21.942 -10.567 6.815 1.00 53.24 O ATOM 168 CB LEU A 11 20.827 -10.102 9.781 1.00 12.54 C ATOM 169 CG LEU A 11 21.130 -11.635 9.760 1.00 35.34 C ATOM 170 CD1 LEU A 11 22.595 -11.932 10.162 1.00 70.10 C ATOM 171 CD2 LEU A 11 20.128 -12.417 10.643 1.00 12.14 C ATOM 0 H LEU A 11 22.293 -7.225 9.144 1.00 23.00 H new ATOM 0 HA LEU A 11 22.701 -9.404 9.011 1.00 14.31 H new ATOM 0 HB2 LEU A 11 20.993 -9.738 10.795 1.00 12.54 H new ATOM 0 HB3 LEU A 11 19.769 -9.963 9.561 1.00 12.54 H new ATOM 0 HG LEU A 11 21.002 -11.980 8.734 1.00 35.34 H new ATOM 0 HD11 LEU A 11 22.768 -13.008 10.136 1.00 70.10 H new ATOM 0 HD12 LEU A 11 23.271 -11.438 9.464 1.00 70.10 H new ATOM 0 HD13 LEU A 11 22.779 -11.559 11.170 1.00 70.10 H new ATOM 0 HD21 LEU A 11 20.365 -13.480 10.608 1.00 12.14 H new ATOM 0 HD22 LEU A 11 20.197 -12.064 11.672 1.00 12.14 H new ATOM 0 HD23 LEU A 11 19.115 -12.258 10.272 1.00 12.14 H new ATOM 183 N TYR A 12 20.605 -8.757 6.581 1.00 0.54 N ATOM 184 CA TYR A 12 20.584 -8.732 5.099 1.00 52.43 C ATOM 185 C TYR A 12 21.874 -8.039 4.574 1.00 62.31 C ATOM 186 O TYR A 12 22.810 -7.787 5.341 1.00 13.11 O ATOM 187 CB TYR A 12 19.323 -7.967 4.581 1.00 71.53 C ATOM 188 CG TYR A 12 17.958 -8.594 4.921 1.00 11.41 C ATOM 189 CD1 TYR A 12 17.300 -8.295 6.116 1.00 14.01 C ATOM 190 CD2 TYR A 12 17.311 -9.460 4.029 1.00 24.03 C ATOM 191 CE1 TYR A 12 16.058 -8.829 6.408 1.00 50.34 C ATOM 192 CE2 TYR A 12 16.064 -9.989 4.318 1.00 52.13 C ATOM 193 CZ TYR A 12 15.448 -9.674 5.509 1.00 22.23 C ATOM 194 OH TYR A 12 14.201 -10.186 5.800 1.00 62.11 O ATOM 0 H TYR A 12 19.950 -8.102 7.009 1.00 0.54 H new ATOM 0 HA TYR A 12 20.543 -9.757 4.730 1.00 52.43 H new ATOM 0 HB2 TYR A 12 19.346 -6.956 4.987 1.00 71.53 H new ATOM 0 HB3 TYR A 12 19.398 -7.877 3.497 1.00 71.53 H new ATOM 0 HD1 TYR A 12 17.771 -7.633 6.827 1.00 14.01 H new ATOM 0 HD2 TYR A 12 17.794 -9.720 3.099 1.00 24.03 H new ATOM 0 HE1 TYR A 12 15.568 -8.584 7.339 1.00 50.34 H new ATOM 0 HE2 TYR A 12 15.577 -10.646 3.612 1.00 52.13 H new ATOM 0 HH TYR A 12 13.708 -9.549 6.358 1.00 62.11 H new ATOM 204 N PHE A 13 21.913 -7.721 3.273 1.00 64.13 N ATOM 205 CA PHE A 13 23.040 -6.983 2.658 1.00 1.04 C ATOM 206 C PHE A 13 23.104 -5.536 3.204 1.00 51.24 C ATOM 207 O PHE A 13 22.064 -4.947 3.516 1.00 31.15 O ATOM 208 CB PHE A 13 22.876 -6.980 1.116 1.00 2.32 C ATOM 209 CG PHE A 13 22.831 -8.388 0.523 1.00 60.23 C ATOM 210 CD1 PHE A 13 24.006 -9.112 0.314 1.00 12.02 C ATOM 211 CD2 PHE A 13 21.615 -8.992 0.191 1.00 61.44 C ATOM 212 CE1 PHE A 13 23.964 -10.396 -0.193 1.00 12.34 C ATOM 213 CE2 PHE A 13 21.577 -10.277 -0.321 1.00 24.31 C ATOM 214 CZ PHE A 13 22.752 -10.975 -0.517 1.00 74.01 C ATOM 0 H PHE A 13 21.172 -7.963 2.615 1.00 64.13 H new ATOM 0 HA PHE A 13 23.976 -7.480 2.915 1.00 1.04 H new ATOM 0 HB2 PHE A 13 21.960 -6.451 0.854 1.00 2.32 H new ATOM 0 HB3 PHE A 13 23.703 -6.428 0.668 1.00 2.32 H new ATOM 0 HD1 PHE A 13 24.959 -8.663 0.552 1.00 12.02 H new ATOM 0 HD2 PHE A 13 20.693 -8.449 0.336 1.00 61.44 H new ATOM 0 HE1 PHE A 13 24.881 -10.949 -0.337 1.00 12.34 H new ATOM 0 HE2 PHE A 13 20.630 -10.733 -0.567 1.00 24.31 H new ATOM 0 HZ PHE A 13 22.724 -11.975 -0.924 1.00 74.01 H new ATOM 224 N GLN A 14 24.331 -4.983 3.325 1.00 21.13 N ATOM 225 CA GLN A 14 24.542 -3.577 3.784 1.00 14.21 C ATOM 226 C GLN A 14 24.089 -2.566 2.709 1.00 43.42 C ATOM 227 O GLN A 14 23.995 -1.360 2.972 1.00 71.04 O ATOM 228 CB GLN A 14 26.023 -3.334 4.184 1.00 55.11 C ATOM 229 CG GLN A 14 27.041 -3.457 3.035 1.00 12.13 C ATOM 230 CD GLN A 14 28.492 -3.329 3.513 1.00 13.04 C ATOM 231 OE1 GLN A 14 29.057 -2.238 3.558 1.00 1.42 O ATOM 232 NE2 GLN A 14 29.102 -4.445 3.873 1.00 21.21 N ATOM 0 H GLN A 14 25.195 -5.482 3.113 1.00 21.13 H new ATOM 0 HA GLN A 14 23.926 -3.423 4.670 1.00 14.21 H new ATOM 0 HB2 GLN A 14 26.107 -2.337 4.617 1.00 55.11 H new ATOM 0 HB3 GLN A 14 26.293 -4.045 4.965 1.00 55.11 H new ATOM 0 HG2 GLN A 14 26.909 -4.419 2.540 1.00 12.13 H new ATOM 0 HG3 GLN A 14 26.838 -2.686 2.292 1.00 12.13 H new ATOM 0 HE21 GLN A 14 28.607 -5.335 3.825 1.00 21.21 H new ATOM 0 HE22 GLN A 14 30.068 -4.416 4.199 1.00 21.21 H new ATOM 241 N SER A 15 23.839 -3.086 1.497 1.00 4.13 N ATOM 242 CA SER A 15 23.155 -2.371 0.419 1.00 64.42 C ATOM 243 C SER A 15 21.732 -1.985 0.865 1.00 41.34 C ATOM 244 O SER A 15 21.097 -2.721 1.638 1.00 30.34 O ATOM 245 CB SER A 15 23.093 -3.277 -0.830 1.00 12.11 C ATOM 246 OG SER A 15 24.387 -3.734 -1.196 1.00 34.42 O ATOM 0 H SER A 15 24.114 -4.034 1.239 1.00 4.13 H new ATOM 0 HA SER A 15 23.703 -1.460 0.179 1.00 64.42 H new ATOM 0 HB2 SER A 15 22.445 -4.131 -0.632 1.00 12.11 H new ATOM 0 HB3 SER A 15 22.650 -2.727 -1.660 1.00 12.11 H new ATOM 0 HG SER A 15 24.320 -4.307 -1.988 1.00 34.42 H new ATOM 252 N HIS A 16 21.257 -0.833 0.377 1.00 34.52 N ATOM 253 CA HIS A 16 19.923 -0.308 0.697 1.00 21.24 C ATOM 254 C HIS A 16 18.833 -1.280 0.185 1.00 70.11 C ATOM 255 O HIS A 16 18.748 -1.545 -1.023 1.00 2.30 O ATOM 256 CB HIS A 16 19.733 1.132 0.117 1.00 55.55 C ATOM 257 CG HIS A 16 19.744 1.234 -1.388 1.00 34.22 C ATOM 258 ND1 HIS A 16 18.598 1.414 -2.134 1.00 34.51 N ATOM 259 CD2 HIS A 16 20.762 1.170 -2.281 1.00 60.20 C ATOM 260 CE1 HIS A 16 18.910 1.451 -3.413 1.00 1.24 C ATOM 261 NE2 HIS A 16 20.216 1.303 -3.533 1.00 14.24 N ATOM 0 H HIS A 16 21.790 -0.235 -0.255 1.00 34.52 H new ATOM 0 HA HIS A 16 19.826 -0.232 1.780 1.00 21.24 H new ATOM 0 HB2 HIS A 16 18.787 1.530 0.484 1.00 55.55 H new ATOM 0 HB3 HIS A 16 20.522 1.771 0.513 1.00 55.55 H new ATOM 0 HD2 HIS A 16 21.809 1.039 -2.050 1.00 60.20 H new ATOM 0 HE1 HIS A 16 18.213 1.581 -4.228 1.00 1.24 H new ATOM 0 HE2 HIS A 16 20.734 1.290 -4.412 1.00 14.24 H new ATOM 270 N MET A 17 18.038 -1.843 1.122 1.00 74.50 N ATOM 271 CA MET A 17 16.914 -2.755 0.800 1.00 70.43 C ATOM 272 C MET A 17 15.755 -1.969 0.149 1.00 72.31 C ATOM 273 O MET A 17 15.882 -0.759 -0.126 1.00 33.24 O ATOM 274 CB MET A 17 16.436 -3.515 2.083 1.00 1.22 C ATOM 275 CG MET A 17 17.467 -4.497 2.671 1.00 32.42 C ATOM 276 SD MET A 17 17.917 -5.829 1.525 1.00 12.01 S ATOM 277 CE MET A 17 16.374 -6.738 1.359 1.00 4.33 C ATOM 0 H MET A 17 18.156 -1.679 2.122 1.00 74.50 H new ATOM 0 HA MET A 17 17.261 -3.499 0.083 1.00 70.43 H new ATOM 0 HB2 MET A 17 16.176 -2.782 2.847 1.00 1.22 H new ATOM 0 HB3 MET A 17 15.525 -4.065 1.845 1.00 1.22 H new ATOM 0 HG2 MET A 17 18.366 -3.947 2.950 1.00 32.42 H new ATOM 0 HG3 MET A 17 17.064 -4.933 3.585 1.00 32.42 H new ATOM 0 HE1 MET A 17 16.552 -7.795 1.556 1.00 4.33 H new ATOM 0 HE2 MET A 17 15.646 -6.353 2.074 1.00 4.33 H new ATOM 0 HE3 MET A 17 15.988 -6.617 0.347 1.00 4.33 H new ATOM 287 N THR A 18 14.635 -2.671 -0.107 1.00 33.21 N ATOM 288 CA THR A 18 13.445 -2.093 -0.753 1.00 61.10 C ATOM 289 C THR A 18 12.935 -0.834 0.002 1.00 72.34 C ATOM 290 O THR A 18 12.723 -0.864 1.219 1.00 43.42 O ATOM 291 CB THR A 18 12.307 -3.158 -0.898 1.00 24.42 C ATOM 292 OG1 THR A 18 11.159 -2.588 -1.557 1.00 12.23 O ATOM 293 CG2 THR A 18 11.895 -3.764 0.458 1.00 41.52 C ATOM 0 H THR A 18 14.531 -3.658 0.130 1.00 33.21 H new ATOM 0 HA THR A 18 13.742 -1.777 -1.753 1.00 61.10 H new ATOM 0 HB THR A 18 12.706 -3.968 -1.509 1.00 24.42 H new ATOM 0 HG1 THR A 18 10.459 -3.268 -1.641 1.00 12.23 H new ATOM 0 HG21 THR A 18 11.103 -4.497 0.303 1.00 41.52 H new ATOM 0 HG22 THR A 18 12.756 -4.251 0.915 1.00 41.52 H new ATOM 0 HG23 THR A 18 11.534 -2.973 1.115 1.00 41.52 H new ATOM 301 N ASP A 19 12.832 0.276 -0.741 1.00 2.43 N ATOM 302 CA ASP A 19 12.319 1.568 -0.250 1.00 13.15 C ATOM 303 C ASP A 19 11.876 2.442 -1.427 1.00 65.52 C ATOM 304 O ASP A 19 10.940 3.209 -1.289 1.00 34.44 O ATOM 305 CB ASP A 19 13.366 2.336 0.606 1.00 15.45 C ATOM 306 CG ASP A 19 12.849 3.707 1.105 1.00 75.22 C ATOM 307 OD1 ASP A 19 13.301 4.756 0.593 1.00 3.35 O ATOM 308 OD2 ASP A 19 11.969 3.740 2.003 1.00 41.15 O ATOM 0 H ASP A 19 13.108 0.304 -1.722 1.00 2.43 H new ATOM 0 HA ASP A 19 11.466 1.349 0.392 1.00 13.15 H new ATOM 0 HB2 ASP A 19 13.645 1.725 1.464 1.00 15.45 H new ATOM 0 HB3 ASP A 19 14.270 2.487 0.016 1.00 15.45 H new ATOM 313 N GLU A 20 12.570 2.329 -2.576 1.00 41.01 N ATOM 314 CA GLU A 20 12.258 3.113 -3.789 1.00 64.14 C ATOM 315 C GLU A 20 10.796 2.875 -4.257 1.00 13.43 C ATOM 316 O GLU A 20 10.073 3.834 -4.559 1.00 24.02 O ATOM 317 CB GLU A 20 13.267 2.759 -4.904 1.00 71.31 C ATOM 318 CG GLU A 20 13.094 3.512 -6.240 1.00 41.11 C ATOM 319 CD GLU A 20 13.446 5.007 -6.157 1.00 3.40 C ATOM 320 OE1 GLU A 20 14.654 5.343 -6.185 1.00 53.02 O ATOM 321 OE2 GLU A 20 12.526 5.852 -6.087 1.00 54.50 O ATOM 0 H GLU A 20 13.360 1.694 -2.690 1.00 41.01 H new ATOM 0 HA GLU A 20 12.347 4.174 -3.554 1.00 64.14 H new ATOM 0 HB2 GLU A 20 14.273 2.950 -4.530 1.00 71.31 H new ATOM 0 HB3 GLU A 20 13.199 1.689 -5.102 1.00 71.31 H new ATOM 0 HG2 GLU A 20 13.722 3.041 -6.996 1.00 41.11 H new ATOM 0 HG3 GLU A 20 12.062 3.409 -6.574 1.00 41.11 H new ATOM 328 N LEU A 21 10.369 1.587 -4.285 1.00 3.53 N ATOM 329 CA LEU A 21 8.961 1.203 -4.563 1.00 13.43 C ATOM 330 C LEU A 21 8.057 1.694 -3.423 1.00 31.50 C ATOM 331 O LEU A 21 7.047 2.357 -3.665 1.00 23.32 O ATOM 332 CB LEU A 21 8.845 -0.349 -4.761 1.00 71.22 C ATOM 333 CG LEU A 21 7.402 -0.948 -5.074 1.00 65.13 C ATOM 334 CD1 LEU A 21 7.488 -2.201 -5.974 1.00 22.21 C ATOM 335 CD2 LEU A 21 6.599 -1.299 -3.786 1.00 14.45 C ATOM 0 H LEU A 21 10.985 0.791 -4.117 1.00 3.53 H new ATOM 0 HA LEU A 21 8.633 1.676 -5.488 1.00 13.43 H new ATOM 0 HB2 LEU A 21 9.511 -0.634 -5.576 1.00 71.22 H new ATOM 0 HB3 LEU A 21 9.220 -0.832 -3.859 1.00 71.22 H new ATOM 0 HG LEU A 21 6.868 -0.157 -5.602 1.00 65.13 H new ATOM 0 HD11 LEU A 21 6.484 -2.581 -6.166 1.00 22.21 H new ATOM 0 HD12 LEU A 21 7.963 -1.938 -6.919 1.00 22.21 H new ATOM 0 HD13 LEU A 21 8.077 -2.969 -5.473 1.00 22.21 H new ATOM 0 HD21 LEU A 21 5.625 -1.702 -4.063 1.00 14.45 H new ATOM 0 HD22 LEU A 21 7.148 -2.041 -3.206 1.00 14.45 H new ATOM 0 HD23 LEU A 21 6.462 -0.399 -3.186 1.00 14.45 H new ATOM 347 N LEU A 22 8.475 1.389 -2.180 1.00 0.35 N ATOM 348 CA LEU A 22 7.696 1.654 -0.954 1.00 32.13 C ATOM 349 C LEU A 22 7.411 3.156 -0.759 1.00 75.55 C ATOM 350 O LEU A 22 6.361 3.533 -0.242 1.00 15.12 O ATOM 351 CB LEU A 22 8.453 1.118 0.281 1.00 14.22 C ATOM 352 CG LEU A 22 8.838 -0.391 0.291 1.00 13.53 C ATOM 353 CD1 LEU A 22 9.559 -0.744 1.610 1.00 71.33 C ATOM 354 CD2 LEU A 22 7.613 -1.304 0.048 1.00 10.34 C ATOM 0 H LEU A 22 9.375 0.946 -1.996 1.00 0.35 H new ATOM 0 HA LEU A 22 6.741 1.140 -1.064 1.00 32.13 H new ATOM 0 HB2 LEU A 22 9.368 1.699 0.392 1.00 14.22 H new ATOM 0 HB3 LEU A 22 7.841 1.315 1.162 1.00 14.22 H new ATOM 0 HG LEU A 22 9.524 -0.571 -0.537 1.00 13.53 H new ATOM 0 HD11 LEU A 22 9.824 -1.801 1.608 1.00 71.33 H new ATOM 0 HD12 LEU A 22 10.464 -0.143 1.702 1.00 71.33 H new ATOM 0 HD13 LEU A 22 8.899 -0.537 2.452 1.00 71.33 H new ATOM 0 HD21 LEU A 22 7.928 -2.347 0.063 1.00 10.34 H new ATOM 0 HD22 LEU A 22 6.874 -1.137 0.831 1.00 10.34 H new ATOM 0 HD23 LEU A 22 7.173 -1.072 -0.922 1.00 10.34 H new ATOM 366 N GLU A 23 8.364 3.995 -1.206 1.00 34.10 N ATOM 367 CA GLU A 23 8.311 5.457 -1.045 1.00 51.43 C ATOM 368 C GLU A 23 7.179 6.034 -1.900 1.00 45.22 C ATOM 369 O GLU A 23 6.543 7.004 -1.522 1.00 24.21 O ATOM 370 CB GLU A 23 9.674 6.105 -1.440 1.00 63.52 C ATOM 371 CG GLU A 23 9.758 7.638 -1.226 1.00 21.40 C ATOM 372 CD GLU A 23 9.739 8.049 0.258 1.00 34.12 C ATOM 373 OE1 GLU A 23 10.821 8.098 0.896 1.00 75.31 O ATOM 374 OE2 GLU A 23 8.653 8.318 0.798 1.00 42.44 O ATOM 0 H GLU A 23 9.200 3.672 -1.694 1.00 34.10 H new ATOM 0 HA GLU A 23 8.117 5.686 0.003 1.00 51.43 H new ATOM 0 HB2 GLU A 23 10.466 5.629 -0.862 1.00 63.52 H new ATOM 0 HB3 GLU A 23 9.871 5.889 -2.490 1.00 63.52 H new ATOM 0 HG2 GLU A 23 10.672 8.013 -1.688 1.00 21.40 H new ATOM 0 HG3 GLU A 23 8.923 8.116 -1.739 1.00 21.40 H new ATOM 381 N ARG A 24 6.921 5.379 -3.045 1.00 21.35 N ATOM 382 CA ARG A 24 5.825 5.747 -3.960 1.00 43.03 C ATOM 383 C ARG A 24 4.463 5.456 -3.301 1.00 23.40 C ATOM 384 O ARG A 24 3.465 6.114 -3.600 1.00 23.33 O ATOM 385 CB ARG A 24 5.949 4.970 -5.295 1.00 22.25 C ATOM 386 CG ARG A 24 7.360 4.966 -5.920 1.00 34.43 C ATOM 387 CD ARG A 24 7.359 4.466 -7.370 1.00 74.51 C ATOM 388 NE ARG A 24 6.635 5.401 -8.243 1.00 32.12 N ATOM 389 CZ ARG A 24 6.129 5.120 -9.450 1.00 40.21 C ATOM 390 NH1 ARG A 24 6.243 3.905 -9.986 1.00 32.14 N ATOM 391 NH2 ARG A 24 5.508 6.080 -10.120 1.00 51.25 N ATOM 0 H ARG A 24 7.467 4.578 -3.363 1.00 21.35 H new ATOM 0 HA ARG A 24 5.894 6.814 -4.172 1.00 43.03 H new ATOM 0 HB2 ARG A 24 5.640 3.938 -5.127 1.00 22.25 H new ATOM 0 HB3 ARG A 24 5.251 5.399 -6.014 1.00 22.25 H new ATOM 0 HG2 ARG A 24 7.771 5.975 -5.887 1.00 34.43 H new ATOM 0 HG3 ARG A 24 8.017 4.335 -5.322 1.00 34.43 H new ATOM 0 HD2 ARG A 24 8.385 4.353 -7.721 1.00 74.51 H new ATOM 0 HD3 ARG A 24 6.895 3.481 -7.420 1.00 74.51 H new ATOM 0 HE ARG A 24 6.506 6.352 -7.897 1.00 32.12 H new ATOM 0 HH11 ARG A 24 6.724 3.165 -9.475 1.00 32.14 H new ATOM 0 HH12 ARG A 24 5.849 3.715 -10.907 1.00 32.14 H new ATOM 0 HH21 ARG A 24 5.423 7.012 -9.714 1.00 51.25 H new ATOM 0 HH22 ARG A 24 5.115 5.887 -11.041 1.00 51.25 H new ATOM 405 N LEU A 25 4.460 4.462 -2.387 1.00 41.21 N ATOM 406 CA LEU A 25 3.279 4.098 -1.593 1.00 64.04 C ATOM 407 C LEU A 25 3.133 5.080 -0.433 1.00 40.23 C ATOM 408 O LEU A 25 2.029 5.483 -0.099 1.00 42.33 O ATOM 409 CB LEU A 25 3.387 2.632 -1.064 1.00 53.44 C ATOM 410 CG LEU A 25 3.057 1.497 -2.087 1.00 75.40 C ATOM 411 CD1 LEU A 25 1.627 1.649 -2.636 1.00 32.54 C ATOM 412 CD2 LEU A 25 4.093 1.401 -3.230 1.00 74.32 C ATOM 0 H LEU A 25 5.281 3.892 -2.183 1.00 41.21 H new ATOM 0 HA LEU A 25 2.394 4.152 -2.228 1.00 64.04 H new ATOM 0 HB2 LEU A 25 4.401 2.476 -0.696 1.00 53.44 H new ATOM 0 HB3 LEU A 25 2.718 2.527 -0.210 1.00 53.44 H new ATOM 0 HG LEU A 25 3.116 0.555 -1.541 1.00 75.40 H new ATOM 0 HD11 LEU A 25 1.422 0.847 -3.345 1.00 32.54 H new ATOM 0 HD12 LEU A 25 0.914 1.596 -1.813 1.00 32.54 H new ATOM 0 HD13 LEU A 25 1.531 2.611 -3.139 1.00 32.54 H new ATOM 0 HD21 LEU A 25 3.812 0.596 -3.909 1.00 74.32 H new ATOM 0 HD22 LEU A 25 4.120 2.344 -3.776 1.00 74.32 H new ATOM 0 HD23 LEU A 25 5.078 1.196 -2.812 1.00 74.32 H new ATOM 424 N ARG A 26 4.283 5.473 0.142 1.00 62.31 N ATOM 425 CA ARG A 26 4.356 6.392 1.285 1.00 24.32 C ATOM 426 C ARG A 26 3.771 7.753 0.899 1.00 32.20 C ATOM 427 O ARG A 26 2.866 8.251 1.569 1.00 41.40 O ATOM 428 CB ARG A 26 5.834 6.517 1.757 1.00 42.21 C ATOM 429 CG ARG A 26 6.025 7.138 3.158 1.00 5.35 C ATOM 430 CD ARG A 26 7.476 7.012 3.664 1.00 75.15 C ATOM 431 NE ARG A 26 7.912 5.594 3.801 1.00 54.22 N ATOM 432 CZ ARG A 26 9.000 5.043 3.218 1.00 13.25 C ATOM 433 NH1 ARG A 26 9.805 5.759 2.444 1.00 74.23 N ATOM 434 NH2 ARG A 26 9.299 3.771 3.443 1.00 52.44 N ATOM 0 H ARG A 26 5.197 5.156 -0.180 1.00 62.31 H new ATOM 0 HA ARG A 26 3.766 6.001 2.114 1.00 24.32 H new ATOM 0 HB2 ARG A 26 6.286 5.525 1.752 1.00 42.21 H new ATOM 0 HB3 ARG A 26 6.381 7.120 1.032 1.00 42.21 H new ATOM 0 HG2 ARG A 26 5.744 8.191 3.127 1.00 5.35 H new ATOM 0 HG3 ARG A 26 5.353 6.649 3.864 1.00 5.35 H new ATOM 0 HD2 ARG A 26 8.144 7.529 2.975 1.00 75.15 H new ATOM 0 HD3 ARG A 26 7.565 7.511 4.629 1.00 75.15 H new ATOM 0 HE ARG A 26 7.339 4.986 4.386 1.00 54.22 H new ATOM 0 HH11 ARG A 26 9.608 6.746 2.279 1.00 74.23 H new ATOM 0 HH12 ARG A 26 10.621 5.322 2.014 1.00 74.23 H new ATOM 0 HH21 ARG A 26 8.708 3.209 4.056 1.00 52.44 H new ATOM 0 HH22 ARG A 26 10.120 3.355 3.003 1.00 52.44 H new ATOM 448 N GLN A 27 4.263 8.297 -0.236 1.00 32.20 N ATOM 449 CA GLN A 27 3.784 9.567 -0.804 1.00 75.31 C ATOM 450 C GLN A 27 2.274 9.505 -1.090 1.00 32.03 C ATOM 451 O GLN A 27 1.535 10.425 -0.734 1.00 60.34 O ATOM 452 CB GLN A 27 4.542 9.913 -2.119 1.00 21.25 C ATOM 453 CG GLN A 27 6.070 10.095 -2.001 1.00 43.55 C ATOM 454 CD GLN A 27 6.487 11.057 -0.894 1.00 4.45 C ATOM 455 OE1 GLN A 27 6.521 12.272 -1.089 1.00 23.33 O ATOM 456 NE2 GLN A 27 6.878 10.514 0.246 1.00 35.34 N ATOM 0 H GLN A 27 5.006 7.862 -0.783 1.00 32.20 H new ATOM 0 HA GLN A 27 3.978 10.346 -0.067 1.00 75.31 H new ATOM 0 HB2 GLN A 27 4.347 9.123 -2.844 1.00 21.25 H new ATOM 0 HB3 GLN A 27 4.119 10.831 -2.526 1.00 21.25 H new ATOM 0 HG2 GLN A 27 6.530 9.124 -1.819 1.00 43.55 H new ATOM 0 HG3 GLN A 27 6.459 10.459 -2.952 1.00 43.55 H new ATOM 0 HE21 GLN A 27 6.835 9.503 0.370 1.00 35.34 H new ATOM 0 HE22 GLN A 27 7.223 11.106 1.001 1.00 35.34 H new ATOM 465 N LEU A 28 1.843 8.385 -1.716 1.00 53.02 N ATOM 466 CA LEU A 28 0.447 8.178 -2.135 1.00 20.34 C ATOM 467 C LEU A 28 -0.509 8.166 -0.926 1.00 3.11 C ATOM 468 O LEU A 28 -1.508 8.883 -0.925 1.00 12.34 O ATOM 469 CB LEU A 28 0.303 6.854 -2.937 1.00 64.21 C ATOM 470 CG LEU A 28 -1.129 6.552 -3.492 1.00 61.11 C ATOM 471 CD1 LEU A 28 -1.590 7.630 -4.499 1.00 33.30 C ATOM 472 CD2 LEU A 28 -1.211 5.138 -4.097 1.00 2.51 C ATOM 0 H LEU A 28 2.457 7.603 -1.942 1.00 53.02 H new ATOM 0 HA LEU A 28 0.173 9.014 -2.778 1.00 20.34 H new ATOM 0 HB2 LEU A 28 1.000 6.880 -3.775 1.00 64.21 H new ATOM 0 HB3 LEU A 28 0.607 6.027 -2.295 1.00 64.21 H new ATOM 0 HG LEU A 28 -1.818 6.586 -2.648 1.00 61.11 H new ATOM 0 HD11 LEU A 28 -2.588 7.386 -4.862 1.00 33.30 H new ATOM 0 HD12 LEU A 28 -1.611 8.602 -4.007 1.00 33.30 H new ATOM 0 HD13 LEU A 28 -0.896 7.663 -5.339 1.00 33.30 H new ATOM 0 HD21 LEU A 28 -2.219 4.961 -4.473 1.00 2.51 H new ATOM 0 HD22 LEU A 28 -0.497 5.051 -4.916 1.00 2.51 H new ATOM 0 HD23 LEU A 28 -0.975 4.400 -3.330 1.00 2.51 H new ATOM 484 N PHE A 29 -0.172 7.369 0.104 1.00 52.10 N ATOM 485 CA PHE A 29 -1.038 7.180 1.285 1.00 52.20 C ATOM 486 C PHE A 29 -1.149 8.485 2.096 1.00 21.54 C ATOM 487 O PHE A 29 -2.231 8.833 2.561 1.00 24.43 O ATOM 488 CB PHE A 29 -0.513 6.040 2.203 1.00 63.31 C ATOM 489 CG PHE A 29 -0.422 4.646 1.587 1.00 41.20 C ATOM 490 CD1 PHE A 29 -1.286 4.238 0.572 1.00 71.22 C ATOM 491 CD2 PHE A 29 0.543 3.738 2.038 1.00 21.54 C ATOM 492 CE1 PHE A 29 -1.181 2.974 0.030 1.00 61.42 C ATOM 493 CE2 PHE A 29 0.643 2.477 1.491 1.00 54.41 C ATOM 494 CZ PHE A 29 -0.220 2.095 0.491 1.00 35.35 C ATOM 0 H PHE A 29 0.700 6.841 0.143 1.00 52.10 H new ATOM 0 HA PHE A 29 -2.025 6.900 0.918 1.00 52.20 H new ATOM 0 HB2 PHE A 29 0.479 6.320 2.558 1.00 63.31 H new ATOM 0 HB3 PHE A 29 -1.161 5.983 3.078 1.00 63.31 H new ATOM 0 HD1 PHE A 29 -2.043 4.916 0.207 1.00 71.22 H new ATOM 0 HD2 PHE A 29 1.220 4.030 2.827 1.00 21.54 H new ATOM 0 HE1 PHE A 29 -1.853 2.670 -0.759 1.00 61.42 H new ATOM 0 HE2 PHE A 29 1.397 1.791 1.847 1.00 54.41 H new ATOM 0 HZ PHE A 29 -0.146 1.105 0.065 1.00 35.35 H new ATOM 504 N GLU A 30 -0.005 9.190 2.254 1.00 13.34 N ATOM 505 CA GLU A 30 0.059 10.497 2.956 1.00 44.43 C ATOM 506 C GLU A 30 -0.734 11.582 2.189 1.00 61.12 C ATOM 507 O GLU A 30 -1.280 12.508 2.793 1.00 45.30 O ATOM 508 CB GLU A 30 1.537 10.940 3.162 1.00 33.15 C ATOM 509 CG GLU A 30 2.354 10.026 4.100 1.00 3.15 C ATOM 510 CD GLU A 30 3.831 10.437 4.207 1.00 61.04 C ATOM 511 OE1 GLU A 30 4.243 10.996 5.248 1.00 61.04 O ATOM 512 OE2 GLU A 30 4.589 10.219 3.240 1.00 62.23 O ATOM 0 H GLU A 30 0.897 8.872 1.901 1.00 13.34 H new ATOM 0 HA GLU A 30 -0.403 10.373 3.936 1.00 44.43 H new ATOM 0 HB2 GLU A 30 2.031 10.977 2.191 1.00 33.15 H new ATOM 0 HB3 GLU A 30 1.547 11.953 3.564 1.00 33.15 H new ATOM 0 HG2 GLU A 30 1.906 10.042 5.094 1.00 3.15 H new ATOM 0 HG3 GLU A 30 2.294 8.999 3.740 1.00 3.15 H new ATOM 519 N GLU A 31 -0.782 11.435 0.857 1.00 11.21 N ATOM 520 CA GLU A 31 -1.535 12.324 -0.054 1.00 34.20 C ATOM 521 C GLU A 31 -3.054 12.049 0.036 1.00 0.01 C ATOM 522 O GLU A 31 -3.874 12.966 -0.048 1.00 62.40 O ATOM 523 CB GLU A 31 -1.011 12.103 -1.498 1.00 21.12 C ATOM 524 CG GLU A 31 -1.688 12.940 -2.589 1.00 10.35 C ATOM 525 CD GLU A 31 -1.051 12.714 -3.965 1.00 10.10 C ATOM 526 OE1 GLU A 31 -1.373 11.698 -4.614 1.00 3.13 O ATOM 527 OE2 GLU A 31 -0.223 13.547 -4.400 1.00 65.44 O ATOM 0 H GLU A 31 -0.292 10.684 0.370 1.00 11.21 H new ATOM 0 HA GLU A 31 -1.382 13.364 0.235 1.00 34.20 H new ATOM 0 HB2 GLU A 31 0.058 12.317 -1.513 1.00 21.12 H new ATOM 0 HB3 GLU A 31 -1.129 11.049 -1.750 1.00 21.12 H new ATOM 0 HG2 GLU A 31 -2.747 12.688 -2.634 1.00 10.35 H new ATOM 0 HG3 GLU A 31 -1.623 13.996 -2.328 1.00 10.35 H new ATOM 534 N LEU A 32 -3.411 10.764 0.212 1.00 64.21 N ATOM 535 CA LEU A 32 -4.817 10.319 0.347 1.00 45.21 C ATOM 536 C LEU A 32 -5.319 10.518 1.798 1.00 64.35 C ATOM 537 O LEU A 32 -6.529 10.625 2.046 1.00 71.02 O ATOM 538 CB LEU A 32 -4.946 8.831 -0.084 1.00 74.14 C ATOM 539 CG LEU A 32 -4.549 8.494 -1.561 1.00 55.52 C ATOM 540 CD1 LEU A 32 -4.626 6.972 -1.838 1.00 52.00 C ATOM 541 CD2 LEU A 32 -5.395 9.295 -2.567 1.00 45.31 C ATOM 0 H LEU A 32 -2.735 10.002 0.265 1.00 64.21 H new ATOM 0 HA LEU A 32 -5.441 10.927 -0.308 1.00 45.21 H new ATOM 0 HB2 LEU A 32 -4.328 8.228 0.581 1.00 74.14 H new ATOM 0 HB3 LEU A 32 -5.979 8.519 0.071 1.00 74.14 H new ATOM 0 HG LEU A 32 -3.510 8.795 -1.696 1.00 55.52 H new ATOM 0 HD11 LEU A 32 -4.344 6.776 -2.872 1.00 52.00 H new ATOM 0 HD12 LEU A 32 -3.944 6.446 -1.170 1.00 52.00 H new ATOM 0 HD13 LEU A 32 -5.644 6.622 -1.667 1.00 52.00 H new ATOM 0 HD21 LEU A 32 -5.094 9.037 -3.582 1.00 45.31 H new ATOM 0 HD22 LEU A 32 -6.449 9.054 -2.429 1.00 45.31 H new ATOM 0 HD23 LEU A 32 -5.242 10.362 -2.403 1.00 45.31 H new ATOM 553 N HIS A 33 -4.365 10.609 2.739 1.00 31.31 N ATOM 554 CA HIS A 33 -4.636 10.779 4.179 1.00 55.43 C ATOM 555 C HIS A 33 -5.341 12.119 4.468 1.00 22.23 C ATOM 556 O HIS A 33 -6.080 12.229 5.448 1.00 3.20 O ATOM 557 CB HIS A 33 -3.307 10.681 4.970 1.00 44.30 C ATOM 558 CG HIS A 33 -3.448 10.721 6.471 1.00 74.01 C ATOM 559 ND1 HIS A 33 -3.072 11.797 7.245 1.00 4.33 N ATOM 560 CD2 HIS A 33 -3.921 9.799 7.332 1.00 45.33 C ATOM 561 CE1 HIS A 33 -3.305 11.527 8.513 1.00 75.33 C ATOM 562 NE2 HIS A 33 -3.824 10.325 8.597 1.00 14.22 N ATOM 0 H HIS A 33 -3.370 10.566 2.520 1.00 31.31 H new ATOM 0 HA HIS A 33 -5.309 9.983 4.500 1.00 55.43 H new ATOM 0 HB2 HIS A 33 -2.806 9.754 4.693 1.00 44.30 H new ATOM 0 HB3 HIS A 33 -2.657 11.500 4.660 1.00 44.30 H new ATOM 0 HD1 HIS A 33 -2.675 12.667 6.891 1.00 4.33 H new ATOM 0 HD2 HIS A 33 -4.306 8.824 7.074 1.00 45.33 H new ATOM 0 HE1 HIS A 33 -3.103 12.185 9.345 1.00 75.33 H new ATOM 571 N GLU A 34 -5.127 13.119 3.580 1.00 42.14 N ATOM 572 CA GLU A 34 -5.702 14.473 3.737 1.00 42.12 C ATOM 573 C GLU A 34 -7.241 14.435 3.673 1.00 24.31 C ATOM 574 O GLU A 34 -7.907 15.271 4.293 1.00 3.12 O ATOM 575 CB GLU A 34 -5.078 15.472 2.705 1.00 43.24 C ATOM 576 CG GLU A 34 -5.508 15.325 1.215 1.00 54.34 C ATOM 577 CD GLU A 34 -6.686 16.240 0.805 1.00 13.12 C ATOM 578 OE1 GLU A 34 -6.478 17.470 0.685 1.00 41.35 O ATOM 579 OE2 GLU A 34 -7.816 15.745 0.594 1.00 0.35 O ATOM 0 H GLU A 34 -4.556 13.010 2.742 1.00 42.14 H new ATOM 0 HA GLU A 34 -5.442 14.844 4.728 1.00 42.12 H new ATOM 0 HB2 GLU A 34 -5.321 16.485 3.027 1.00 43.24 H new ATOM 0 HB3 GLU A 34 -3.994 15.373 2.754 1.00 43.24 H new ATOM 0 HG2 GLU A 34 -4.652 15.545 0.577 1.00 54.34 H new ATOM 0 HG3 GLU A 34 -5.786 14.288 1.029 1.00 54.34 H new ATOM 586 N ARG A 35 -7.806 13.431 2.955 1.00 4.21 N ATOM 587 CA ARG A 35 -9.271 13.204 2.933 1.00 5.42 C ATOM 588 C ARG A 35 -9.635 11.960 3.756 1.00 63.50 C ATOM 589 O ARG A 35 -10.781 11.826 4.185 1.00 50.35 O ATOM 590 CB ARG A 35 -9.854 13.098 1.487 1.00 62.10 C ATOM 591 CG ARG A 35 -9.373 11.912 0.606 1.00 13.53 C ATOM 592 CD ARG A 35 -8.072 12.195 -0.165 1.00 24.43 C ATOM 593 NE ARG A 35 -8.186 13.382 -1.029 1.00 51.55 N ATOM 594 CZ ARG A 35 -7.466 13.621 -2.135 1.00 15.22 C ATOM 595 NH1 ARG A 35 -6.545 12.757 -2.562 1.00 65.31 N ATOM 596 NH2 ARG A 35 -7.678 14.742 -2.808 1.00 73.20 N ATOM 0 H ARG A 35 -7.273 12.771 2.388 1.00 4.21 H new ATOM 0 HA ARG A 35 -9.729 14.083 3.387 1.00 5.42 H new ATOM 0 HB2 ARG A 35 -10.940 13.041 1.565 1.00 62.10 H new ATOM 0 HB3 ARG A 35 -9.621 14.024 0.961 1.00 62.10 H new ATOM 0 HG2 ARG A 35 -9.225 11.038 1.240 1.00 13.53 H new ATOM 0 HG3 ARG A 35 -10.158 11.660 -0.106 1.00 13.53 H new ATOM 0 HD2 ARG A 35 -7.256 12.340 0.543 1.00 24.43 H new ATOM 0 HD3 ARG A 35 -7.816 11.328 -0.774 1.00 24.43 H new ATOM 0 HE ARG A 35 -8.874 14.086 -0.762 1.00 51.55 H new ATOM 0 HH11 ARG A 35 -6.377 11.894 -2.045 1.00 65.31 H new ATOM 0 HH12 ARG A 35 -6.009 12.959 -3.406 1.00 65.31 H new ATOM 0 HH21 ARG A 35 -8.380 15.407 -2.483 1.00 73.20 H new ATOM 0 HH22 ARG A 35 -7.140 14.940 -3.651 1.00 73.20 H new ATOM 610 N GLY A 36 -8.637 11.078 3.991 1.00 32.40 N ATOM 611 CA GLY A 36 -8.839 9.819 4.718 1.00 24.40 C ATOM 612 C GLY A 36 -9.836 8.903 4.018 1.00 10.11 C ATOM 613 O GLY A 36 -10.793 8.412 4.638 1.00 71.52 O ATOM 0 H GLY A 36 -7.676 11.224 3.681 1.00 32.40 H new ATOM 0 HA2 GLY A 36 -7.884 9.303 4.820 1.00 24.40 H new ATOM 0 HA3 GLY A 36 -9.193 10.036 5.726 1.00 24.40 H new ATOM 617 N THR A 37 -9.606 8.711 2.708 1.00 14.15 N ATOM 618 CA THR A 37 -10.486 7.930 1.819 1.00 53.43 C ATOM 619 C THR A 37 -10.333 6.412 2.056 1.00 14.23 C ATOM 620 O THR A 37 -9.421 5.973 2.758 1.00 72.34 O ATOM 621 CB THR A 37 -10.187 8.269 0.313 1.00 75.01 C ATOM 622 OG1 THR A 37 -11.108 7.592 -0.561 1.00 40.01 O ATOM 623 CG2 THR A 37 -8.739 7.925 -0.088 1.00 30.42 C ATOM 0 H THR A 37 -8.793 9.099 2.229 1.00 14.15 H new ATOM 0 HA THR A 37 -11.514 8.206 2.053 1.00 53.43 H new ATOM 0 HB THR A 37 -10.316 9.346 0.206 1.00 75.01 H new ATOM 0 HG1 THR A 37 -10.903 7.820 -1.492 1.00 40.01 H new ATOM 0 HG21 THR A 37 -8.582 8.177 -1.137 1.00 30.42 H new ATOM 0 HG22 THR A 37 -8.045 8.495 0.530 1.00 30.42 H new ATOM 0 HG23 THR A 37 -8.564 6.859 0.059 1.00 30.42 H new ATOM 631 N GLU A 38 -11.255 5.635 1.463 1.00 72.43 N ATOM 632 CA GLU A 38 -11.246 4.160 1.493 1.00 1.11 C ATOM 633 C GLU A 38 -10.012 3.584 0.740 1.00 23.01 C ATOM 634 O GLU A 38 -10.085 3.263 -0.444 1.00 40.50 O ATOM 635 CB GLU A 38 -12.594 3.616 0.901 1.00 63.34 C ATOM 636 CG GLU A 38 -13.028 4.282 -0.432 1.00 12.14 C ATOM 637 CD GLU A 38 -14.239 3.618 -1.101 1.00 11.43 C ATOM 638 OE1 GLU A 38 -15.355 3.681 -0.533 1.00 64.15 O ATOM 639 OE2 GLU A 38 -14.087 3.043 -2.207 1.00 52.43 O ATOM 0 H GLU A 38 -12.042 6.020 0.940 1.00 72.43 H new ATOM 0 HA GLU A 38 -11.162 3.828 2.528 1.00 1.11 H new ATOM 0 HB2 GLU A 38 -12.499 2.542 0.741 1.00 63.34 H new ATOM 0 HB3 GLU A 38 -13.384 3.760 1.638 1.00 63.34 H new ATOM 0 HG2 GLU A 38 -13.261 5.330 -0.243 1.00 12.14 H new ATOM 0 HG3 GLU A 38 -12.187 4.262 -1.126 1.00 12.14 H new ATOM 646 N ILE A 39 -8.882 3.454 1.454 1.00 74.41 N ATOM 647 CA ILE A 39 -7.614 2.950 0.895 1.00 33.45 C ATOM 648 C ILE A 39 -7.519 1.432 1.151 1.00 13.15 C ATOM 649 O ILE A 39 -7.366 0.986 2.291 1.00 2.03 O ATOM 650 CB ILE A 39 -6.363 3.671 1.553 1.00 61.43 C ATOM 651 CG1 ILE A 39 -6.468 5.226 1.434 1.00 62.42 C ATOM 652 CG2 ILE A 39 -5.040 3.165 0.929 1.00 44.02 C ATOM 653 CD1 ILE A 39 -5.410 6.008 2.209 1.00 21.53 C ATOM 0 H ILE A 39 -8.821 3.697 2.443 1.00 74.41 H new ATOM 0 HA ILE A 39 -7.603 3.160 -0.175 1.00 33.45 H new ATOM 0 HB ILE A 39 -6.362 3.418 2.613 1.00 61.43 H new ATOM 0 HG12 ILE A 39 -6.401 5.500 0.381 1.00 62.42 H new ATOM 0 HG13 ILE A 39 -7.454 5.536 1.782 1.00 62.42 H new ATOM 0 HG21 ILE A 39 -4.198 3.675 1.398 1.00 44.02 H new ATOM 0 HG22 ILE A 39 -4.949 2.091 1.090 1.00 44.02 H new ATOM 0 HG23 ILE A 39 -5.040 3.372 -0.141 1.00 44.02 H new ATOM 0 HD11 ILE A 39 -5.568 7.077 2.063 1.00 21.53 H new ATOM 0 HD12 ILE A 39 -5.487 5.772 3.270 1.00 21.53 H new ATOM 0 HD13 ILE A 39 -4.418 5.735 1.848 1.00 21.53 H new ATOM 665 N VAL A 40 -7.638 0.645 0.080 1.00 63.01 N ATOM 666 CA VAL A 40 -7.521 -0.818 0.132 1.00 33.23 C ATOM 667 C VAL A 40 -6.178 -1.206 -0.503 1.00 53.50 C ATOM 668 O VAL A 40 -6.026 -1.140 -1.724 1.00 14.04 O ATOM 669 CB VAL A 40 -8.718 -1.530 -0.620 1.00 42.31 C ATOM 670 CG1 VAL A 40 -8.602 -3.074 -0.539 1.00 31.55 C ATOM 671 CG2 VAL A 40 -10.090 -1.033 -0.086 1.00 12.32 C ATOM 0 H VAL A 40 -7.820 1.006 -0.857 1.00 63.01 H new ATOM 0 HA VAL A 40 -7.565 -1.148 1.170 1.00 33.23 H new ATOM 0 HB VAL A 40 -8.655 -1.257 -1.673 1.00 42.31 H new ATOM 0 HG11 VAL A 40 -9.440 -3.530 -1.066 1.00 31.55 H new ATOM 0 HG12 VAL A 40 -7.667 -3.393 -0.999 1.00 31.55 H new ATOM 0 HG13 VAL A 40 -8.617 -3.386 0.505 1.00 31.55 H new ATOM 0 HG21 VAL A 40 -10.894 -1.539 -0.621 1.00 12.32 H new ATOM 0 HG22 VAL A 40 -10.168 -1.253 0.979 1.00 12.32 H new ATOM 0 HG23 VAL A 40 -10.173 0.043 -0.241 1.00 12.32 H new ATOM 681 N VAL A 41 -5.203 -1.573 0.334 1.00 53.13 N ATOM 682 CA VAL A 41 -3.851 -1.935 -0.116 1.00 72.31 C ATOM 683 C VAL A 41 -3.807 -3.455 -0.328 1.00 44.03 C ATOM 684 O VAL A 41 -3.891 -4.218 0.638 1.00 3.43 O ATOM 685 CB VAL A 41 -2.778 -1.489 0.956 1.00 42.33 C ATOM 686 CG1 VAL A 41 -1.329 -1.738 0.473 1.00 23.43 C ATOM 687 CG2 VAL A 41 -2.997 -0.012 1.355 1.00 54.31 C ATOM 0 H VAL A 41 -5.327 -1.628 1.345 1.00 53.13 H new ATOM 0 HA VAL A 41 -3.617 -1.425 -1.050 1.00 72.31 H new ATOM 0 HB VAL A 41 -2.918 -2.109 1.841 1.00 42.33 H new ATOM 0 HG11 VAL A 41 -0.628 -1.416 1.243 1.00 23.43 H new ATOM 0 HG12 VAL A 41 -1.189 -2.801 0.276 1.00 23.43 H new ATOM 0 HG13 VAL A 41 -1.148 -1.173 -0.441 1.00 23.43 H new ATOM 0 HG21 VAL A 41 -2.250 0.280 2.094 1.00 54.31 H new ATOM 0 HG22 VAL A 41 -2.902 0.621 0.473 1.00 54.31 H new ATOM 0 HG23 VAL A 41 -3.994 0.106 1.780 1.00 54.31 H new ATOM 697 N GLU A 42 -3.714 -3.883 -1.600 1.00 32.15 N ATOM 698 CA GLU A 42 -3.744 -5.303 -1.975 1.00 60.12 C ATOM 699 C GLU A 42 -2.438 -5.677 -2.699 1.00 23.43 C ATOM 700 O GLU A 42 -2.224 -5.291 -3.847 1.00 10.33 O ATOM 701 CB GLU A 42 -4.978 -5.594 -2.870 1.00 24.22 C ATOM 702 CG GLU A 42 -5.171 -7.092 -3.214 1.00 25.43 C ATOM 703 CD GLU A 42 -6.380 -7.405 -4.112 1.00 3.23 C ATOM 704 OE1 GLU A 42 -6.706 -8.605 -4.266 1.00 15.21 O ATOM 705 OE2 GLU A 42 -6.992 -6.474 -4.688 1.00 71.03 O ATOM 0 H GLU A 42 -3.616 -3.252 -2.395 1.00 32.15 H new ATOM 0 HA GLU A 42 -3.828 -5.912 -1.075 1.00 60.12 H new ATOM 0 HB2 GLU A 42 -5.873 -5.230 -2.366 1.00 24.22 H new ATOM 0 HB3 GLU A 42 -4.882 -5.029 -3.797 1.00 24.22 H new ATOM 0 HG2 GLU A 42 -4.269 -7.455 -3.706 1.00 25.43 H new ATOM 0 HG3 GLU A 42 -5.274 -7.652 -2.284 1.00 25.43 H new ATOM 712 N VAL A 43 -1.584 -6.440 -2.010 1.00 70.22 N ATOM 713 CA VAL A 43 -0.285 -6.909 -2.528 1.00 61.31 C ATOM 714 C VAL A 43 -0.499 -8.248 -3.265 1.00 73.23 C ATOM 715 O VAL A 43 -1.262 -9.077 -2.793 1.00 3.35 O ATOM 716 CB VAL A 43 0.729 -7.109 -1.330 1.00 51.33 C ATOM 717 CG1 VAL A 43 2.149 -7.462 -1.825 1.00 22.51 C ATOM 718 CG2 VAL A 43 0.747 -5.874 -0.396 1.00 21.43 C ATOM 0 H VAL A 43 -1.775 -6.757 -1.060 1.00 70.22 H new ATOM 0 HA VAL A 43 0.128 -6.171 -3.216 1.00 61.31 H new ATOM 0 HB VAL A 43 0.374 -7.960 -0.749 1.00 51.33 H new ATOM 0 HG11 VAL A 43 2.811 -7.590 -0.969 1.00 22.51 H new ATOM 0 HG12 VAL A 43 2.115 -8.388 -2.399 1.00 22.51 H new ATOM 0 HG13 VAL A 43 2.525 -6.657 -2.457 1.00 22.51 H new ATOM 0 HG21 VAL A 43 1.453 -6.043 0.417 1.00 21.43 H new ATOM 0 HG22 VAL A 43 1.050 -4.994 -0.963 1.00 21.43 H new ATOM 0 HG23 VAL A 43 -0.249 -5.715 0.016 1.00 21.43 H new ATOM 728 N HIS A 44 0.144 -8.437 -4.435 1.00 31.53 N ATOM 729 CA HIS A 44 0.061 -9.693 -5.230 1.00 75.31 C ATOM 730 C HIS A 44 1.484 -10.223 -5.474 1.00 62.03 C ATOM 731 O HIS A 44 2.248 -9.610 -6.234 1.00 62.32 O ATOM 732 CB HIS A 44 -0.660 -9.448 -6.596 1.00 54.22 C ATOM 733 CG HIS A 44 -2.140 -9.154 -6.507 1.00 54.11 C ATOM 734 ND1 HIS A 44 -2.841 -8.497 -7.501 1.00 53.41 N ATOM 735 CD2 HIS A 44 -3.062 -9.482 -5.573 1.00 14.11 C ATOM 736 CE1 HIS A 44 -4.117 -8.444 -7.178 1.00 74.20 C ATOM 737 NE2 HIS A 44 -4.274 -9.034 -6.018 1.00 33.32 N ATOM 0 H HIS A 44 0.738 -7.726 -4.861 1.00 31.53 H new ATOM 0 HA HIS A 44 -0.521 -10.427 -4.672 1.00 75.31 H new ATOM 0 HB2 HIS A 44 -0.171 -8.614 -7.100 1.00 54.22 H new ATOM 0 HB3 HIS A 44 -0.519 -10.328 -7.224 1.00 54.22 H new ATOM 0 HD1 HIS A 44 -2.433 -8.113 -8.353 1.00 53.41 H new ATOM 0 HD2 HIS A 44 -2.875 -10.003 -4.645 1.00 14.11 H new ATOM 0 HE1 HIS A 44 -4.900 -7.992 -7.768 1.00 74.20 H new ATOM 746 N ILE A 45 1.841 -11.340 -4.794 1.00 11.13 N ATOM 747 CA ILE A 45 3.183 -11.970 -4.872 1.00 61.21 C ATOM 748 C ILE A 45 3.033 -13.510 -4.904 1.00 52.41 C ATOM 749 O ILE A 45 2.626 -14.114 -3.903 1.00 43.03 O ATOM 750 CB ILE A 45 4.102 -11.540 -3.655 1.00 3.24 C ATOM 751 CG1 ILE A 45 4.315 -9.994 -3.653 1.00 23.51 C ATOM 752 CG2 ILE A 45 5.465 -12.287 -3.668 1.00 34.24 C ATOM 753 CD1 ILE A 45 5.211 -9.469 -2.562 1.00 64.14 C ATOM 0 H ILE A 45 1.201 -11.833 -4.171 1.00 11.13 H new ATOM 0 HA ILE A 45 3.665 -11.627 -5.788 1.00 61.21 H new ATOM 0 HB ILE A 45 3.588 -11.823 -2.736 1.00 3.24 H new ATOM 0 HG12 ILE A 45 4.732 -9.700 -4.616 1.00 23.51 H new ATOM 0 HG13 ILE A 45 3.342 -9.510 -3.566 1.00 23.51 H new ATOM 0 HG21 ILE A 45 6.065 -11.964 -2.818 1.00 34.24 H new ATOM 0 HG22 ILE A 45 5.292 -13.361 -3.603 1.00 34.24 H new ATOM 0 HG23 ILE A 45 5.995 -12.061 -4.593 1.00 34.24 H new ATOM 0 HD11 ILE A 45 5.294 -8.386 -2.649 1.00 64.14 H new ATOM 0 HD12 ILE A 45 4.789 -9.724 -1.590 1.00 64.14 H new ATOM 0 HD13 ILE A 45 6.200 -9.917 -2.656 1.00 64.14 H new ATOM 765 N ASN A 46 3.350 -14.108 -6.078 1.00 22.04 N ATOM 766 CA ASN A 46 3.290 -15.575 -6.344 1.00 14.31 C ATOM 767 C ASN A 46 1.919 -16.196 -5.991 1.00 21.42 C ATOM 768 O ASN A 46 1.832 -17.365 -5.587 1.00 25.23 O ATOM 769 CB ASN A 46 4.472 -16.317 -5.652 1.00 34.54 C ATOM 770 CG ASN A 46 5.832 -15.944 -6.236 1.00 65.11 C ATOM 771 OD1 ASN A 46 6.312 -16.571 -7.182 1.00 4.21 O ATOM 772 ND2 ASN A 46 6.460 -14.931 -5.681 1.00 63.20 N ATOM 0 H ASN A 46 3.663 -13.575 -6.889 1.00 22.04 H new ATOM 0 HA ASN A 46 3.401 -15.708 -7.420 1.00 14.31 H new ATOM 0 HB2 ASN A 46 4.465 -16.087 -4.587 1.00 34.54 H new ATOM 0 HB3 ASN A 46 4.324 -17.393 -5.747 1.00 34.54 H new ATOM 0 HD21 ASN A 46 7.373 -14.643 -6.032 1.00 63.20 H new ATOM 0 HD22 ASN A 46 6.034 -14.433 -4.899 1.00 63.20 H new ATOM 779 N GLY A 47 0.845 -15.404 -6.196 1.00 44.31 N ATOM 780 CA GLY A 47 -0.528 -15.855 -5.969 1.00 25.21 C ATOM 781 C GLY A 47 -1.090 -15.430 -4.620 1.00 72.55 C ATOM 782 O GLY A 47 -2.312 -15.381 -4.458 1.00 11.04 O ATOM 0 H GLY A 47 0.914 -14.440 -6.522 1.00 44.31 H new ATOM 0 HA2 GLY A 47 -1.167 -15.462 -6.760 1.00 25.21 H new ATOM 0 HA3 GLY A 47 -0.562 -16.942 -6.042 1.00 25.21 H new ATOM 786 N GLU A 48 -0.201 -15.108 -3.653 1.00 32.25 N ATOM 787 CA GLU A 48 -0.607 -14.672 -2.305 1.00 33.44 C ATOM 788 C GLU A 48 -1.022 -13.196 -2.340 1.00 14.34 C ATOM 789 O GLU A 48 -0.210 -12.320 -2.677 1.00 72.14 O ATOM 790 CB GLU A 48 0.543 -14.870 -1.268 1.00 35.54 C ATOM 791 CG GLU A 48 0.941 -16.333 -1.016 1.00 42.22 C ATOM 792 CD GLU A 48 1.904 -16.505 0.177 1.00 22.33 C ATOM 793 OE1 GLU A 48 1.476 -16.277 1.326 1.00 70.14 O ATOM 794 OE2 GLU A 48 3.080 -16.884 -0.017 1.00 3.20 O ATOM 0 H GLU A 48 0.810 -15.144 -3.787 1.00 32.25 H new ATOM 0 HA GLU A 48 -1.452 -15.287 -1.994 1.00 33.44 H new ATOM 0 HB2 GLU A 48 1.421 -14.324 -1.612 1.00 35.54 H new ATOM 0 HB3 GLU A 48 0.240 -14.423 -0.321 1.00 35.54 H new ATOM 0 HG2 GLU A 48 0.041 -16.921 -0.836 1.00 42.22 H new ATOM 0 HG3 GLU A 48 1.410 -16.735 -1.914 1.00 42.22 H new ATOM 801 N ARG A 49 -2.304 -12.931 -2.025 1.00 15.42 N ATOM 802 CA ARG A 49 -2.821 -11.566 -1.902 1.00 41.01 C ATOM 803 C ARG A 49 -2.882 -11.157 -0.417 1.00 53.20 C ATOM 804 O ARG A 49 -3.308 -11.941 0.446 1.00 73.34 O ATOM 805 CB ARG A 49 -4.213 -11.393 -2.595 1.00 51.00 C ATOM 806 CG ARG A 49 -5.393 -12.248 -2.040 1.00 53.43 C ATOM 807 CD ARG A 49 -5.771 -13.463 -2.916 1.00 43.33 C ATOM 808 NE ARG A 49 -4.740 -14.522 -2.919 1.00 62.34 N ATOM 809 CZ ARG A 49 -4.672 -15.543 -2.039 1.00 53.41 C ATOM 810 NH1 ARG A 49 -5.568 -15.674 -1.064 1.00 42.41 N ATOM 811 NH2 ARG A 49 -3.703 -16.435 -2.151 1.00 1.00 N ATOM 0 H ARG A 49 -3.001 -13.655 -1.851 1.00 15.42 H new ATOM 0 HA ARG A 49 -2.132 -10.902 -2.424 1.00 41.01 H new ATOM 0 HB2 ARG A 49 -4.496 -10.342 -2.529 1.00 51.00 H new ATOM 0 HB3 ARG A 49 -4.095 -11.625 -3.653 1.00 51.00 H new ATOM 0 HG2 ARG A 49 -5.131 -12.602 -1.043 1.00 53.43 H new ATOM 0 HG3 ARG A 49 -6.269 -11.608 -1.931 1.00 53.43 H new ATOM 0 HD2 ARG A 49 -6.712 -13.882 -2.559 1.00 43.33 H new ATOM 0 HD3 ARG A 49 -5.940 -13.127 -3.939 1.00 43.33 H new ATOM 0 HE ARG A 49 -4.023 -14.478 -3.643 1.00 62.34 H new ATOM 0 HH11 ARG A 49 -6.324 -14.996 -0.972 1.00 42.41 H new ATOM 0 HH12 ARG A 49 -5.499 -16.453 -0.409 1.00 42.41 H new ATOM 0 HH21 ARG A 49 -3.014 -16.349 -2.898 1.00 1.00 H new ATOM 0 HH22 ARG A 49 -3.644 -17.210 -1.490 1.00 1.00 H new ATOM 825 N ASP A 50 -2.406 -9.934 -0.135 1.00 50.23 N ATOM 826 CA ASP A 50 -2.465 -9.314 1.202 1.00 72.35 C ATOM 827 C ASP A 50 -3.367 -8.082 1.097 1.00 34.53 C ATOM 828 O ASP A 50 -2.980 -7.098 0.493 1.00 4.32 O ATOM 829 CB ASP A 50 -1.037 -8.901 1.661 1.00 14.34 C ATOM 830 CG ASP A 50 -0.987 -8.305 3.086 1.00 53.35 C ATOM 831 OD1 ASP A 50 -1.557 -8.923 4.011 1.00 65.34 O ATOM 832 OD2 ASP A 50 -0.332 -7.260 3.301 1.00 64.12 O ATOM 0 H ASP A 50 -1.964 -9.339 -0.836 1.00 50.23 H new ATOM 0 HA ASP A 50 -2.863 -10.015 1.936 1.00 72.35 H new ATOM 0 HB2 ASP A 50 -0.386 -9.774 1.619 1.00 14.34 H new ATOM 0 HB3 ASP A 50 -0.637 -8.171 0.958 1.00 14.34 H new ATOM 837 N GLU A 51 -4.550 -8.142 1.713 1.00 64.44 N ATOM 838 CA GLU A 51 -5.613 -7.132 1.524 1.00 65.05 C ATOM 839 C GLU A 51 -5.909 -6.421 2.851 1.00 11.41 C ATOM 840 O GLU A 51 -6.413 -7.040 3.797 1.00 15.22 O ATOM 841 CB GLU A 51 -6.891 -7.813 0.973 1.00 13.34 C ATOM 842 CG GLU A 51 -8.065 -6.845 0.717 1.00 74.20 C ATOM 843 CD GLU A 51 -9.337 -7.558 0.249 1.00 64.44 C ATOM 844 OE1 GLU A 51 -10.091 -8.069 1.108 1.00 31.05 O ATOM 845 OE2 GLU A 51 -9.600 -7.608 -0.971 1.00 31.14 O ATOM 0 H GLU A 51 -4.805 -8.889 2.359 1.00 64.44 H new ATOM 0 HA GLU A 51 -5.275 -6.387 0.804 1.00 65.05 H new ATOM 0 HB2 GLU A 51 -6.645 -8.322 0.041 1.00 13.34 H new ATOM 0 HB3 GLU A 51 -7.214 -8.579 1.678 1.00 13.34 H new ATOM 0 HG2 GLU A 51 -8.280 -6.293 1.632 1.00 74.20 H new ATOM 0 HG3 GLU A 51 -7.768 -6.113 -0.034 1.00 74.20 H new ATOM 852 N ILE A 52 -5.572 -5.122 2.916 1.00 21.14 N ATOM 853 CA ILE A 52 -5.765 -4.291 4.114 1.00 3.22 C ATOM 854 C ILE A 52 -6.717 -3.133 3.750 1.00 70.50 C ATOM 855 O ILE A 52 -6.331 -2.215 3.017 1.00 4.23 O ATOM 856 CB ILE A 52 -4.396 -3.699 4.635 1.00 13.41 C ATOM 857 CG1 ILE A 52 -3.269 -4.785 4.641 1.00 75.40 C ATOM 858 CG2 ILE A 52 -4.579 -3.079 6.049 1.00 53.14 C ATOM 859 CD1 ILE A 52 -1.868 -4.229 4.811 1.00 2.33 C ATOM 0 H ILE A 52 -5.156 -4.617 2.134 1.00 21.14 H new ATOM 0 HA ILE A 52 -6.184 -4.908 4.908 1.00 3.22 H new ATOM 0 HB ILE A 52 -4.085 -2.911 3.949 1.00 13.41 H new ATOM 0 HG12 ILE A 52 -3.467 -5.493 5.446 1.00 75.40 H new ATOM 0 HG13 ILE A 52 -3.315 -5.344 3.707 1.00 75.40 H new ATOM 0 HG21 ILE A 52 -3.628 -2.675 6.395 1.00 53.14 H new ATOM 0 HG22 ILE A 52 -5.318 -2.279 6.003 1.00 53.14 H new ATOM 0 HG23 ILE A 52 -4.920 -3.848 6.742 1.00 53.14 H new ATOM 0 HD11 ILE A 52 -1.148 -5.048 4.804 1.00 2.33 H new ATOM 0 HD12 ILE A 52 -1.646 -3.544 3.992 1.00 2.33 H new ATOM 0 HD13 ILE A 52 -1.801 -3.695 5.759 1.00 2.33 H new ATOM 871 N ARG A 53 -7.955 -3.201 4.249 1.00 43.41 N ATOM 872 CA ARG A 53 -8.987 -2.190 3.999 1.00 62.51 C ATOM 873 C ARG A 53 -9.010 -1.189 5.168 1.00 54.33 C ATOM 874 O ARG A 53 -9.450 -1.512 6.278 1.00 45.32 O ATOM 875 CB ARG A 53 -10.364 -2.885 3.822 1.00 30.33 C ATOM 876 CG ARG A 53 -10.387 -3.957 2.716 1.00 24.24 C ATOM 877 CD ARG A 53 -11.783 -4.551 2.470 1.00 40.42 C ATOM 878 NE ARG A 53 -11.744 -5.549 1.397 1.00 63.32 N ATOM 879 CZ ARG A 53 -12.752 -5.854 0.570 1.00 62.41 C ATOM 880 NH1 ARG A 53 -13.933 -5.243 0.671 1.00 53.41 N ATOM 881 NH2 ARG A 53 -12.570 -6.791 -0.346 1.00 14.12 N ATOM 0 H ARG A 53 -8.272 -3.967 4.844 1.00 43.41 H new ATOM 0 HA ARG A 53 -8.765 -1.643 3.083 1.00 62.51 H new ATOM 0 HB2 ARG A 53 -10.651 -3.346 4.767 1.00 30.33 H new ATOM 0 HB3 ARG A 53 -11.115 -2.128 3.596 1.00 30.33 H new ATOM 0 HG2 ARG A 53 -10.018 -3.519 1.788 1.00 24.24 H new ATOM 0 HG3 ARG A 53 -9.701 -4.760 2.985 1.00 24.24 H new ATOM 0 HD2 ARG A 53 -12.154 -5.010 3.386 1.00 40.42 H new ATOM 0 HD3 ARG A 53 -12.480 -3.755 2.207 1.00 40.42 H new ATOM 0 HE ARG A 53 -10.869 -6.058 1.269 1.00 63.32 H new ATOM 0 HH11 ARG A 53 -14.079 -4.531 1.387 1.00 53.41 H new ATOM 0 HH12 ARG A 53 -14.690 -5.488 0.033 1.00 53.41 H new ATOM 0 HH21 ARG A 53 -11.672 -7.269 -0.415 1.00 14.12 H new ATOM 0 HH22 ARG A 53 -13.328 -7.035 -0.984 1.00 14.12 H new ATOM 895 N VAL A 54 -8.496 0.012 4.897 1.00 61.40 N ATOM 896 CA VAL A 54 -8.424 1.129 5.853 1.00 14.43 C ATOM 897 C VAL A 54 -9.072 2.373 5.218 1.00 52.24 C ATOM 898 O VAL A 54 -9.150 2.473 3.997 1.00 61.31 O ATOM 899 CB VAL A 54 -6.934 1.442 6.268 1.00 2.43 C ATOM 900 CG1 VAL A 54 -6.300 0.272 7.057 1.00 74.33 C ATOM 901 CG2 VAL A 54 -6.059 1.815 5.044 1.00 21.13 C ATOM 0 H VAL A 54 -8.107 0.245 3.983 1.00 61.40 H new ATOM 0 HA VAL A 54 -8.962 0.848 6.759 1.00 14.43 H new ATOM 0 HB VAL A 54 -6.971 2.309 6.927 1.00 2.43 H new ATOM 0 HG11 VAL A 54 -5.274 0.527 7.324 1.00 74.33 H new ATOM 0 HG12 VAL A 54 -6.877 0.090 7.964 1.00 74.33 H new ATOM 0 HG13 VAL A 54 -6.302 -0.626 6.440 1.00 74.33 H new ATOM 0 HG21 VAL A 54 -5.041 2.023 5.374 1.00 21.13 H new ATOM 0 HG22 VAL A 54 -6.049 0.985 4.337 1.00 21.13 H new ATOM 0 HG23 VAL A 54 -6.471 2.700 4.559 1.00 21.13 H new ATOM 911 N ARG A 55 -9.603 3.284 6.048 1.00 61.51 N ATOM 912 CA ARG A 55 -10.127 4.584 5.571 1.00 71.35 C ATOM 913 C ARG A 55 -9.320 5.726 6.205 1.00 32.31 C ATOM 914 O ARG A 55 -8.376 6.249 5.600 1.00 43.32 O ATOM 915 CB ARG A 55 -11.655 4.746 5.862 1.00 61.32 C ATOM 916 CG ARG A 55 -12.567 3.737 5.133 1.00 60.01 C ATOM 917 CD ARG A 55 -14.070 3.994 5.377 1.00 11.35 C ATOM 918 NE ARG A 55 -14.474 5.361 4.998 1.00 64.10 N ATOM 919 CZ ARG A 55 -15.738 5.829 4.969 1.00 41.14 C ATOM 920 NH1 ARG A 55 -16.781 5.056 5.290 1.00 34.32 N ATOM 921 NH2 ARG A 55 -15.950 7.087 4.616 1.00 74.23 N ATOM 0 H ARG A 55 -9.683 3.149 7.056 1.00 61.51 H new ATOM 0 HA ARG A 55 -10.012 4.620 4.488 1.00 71.35 H new ATOM 0 HB2 ARG A 55 -11.817 4.650 6.936 1.00 61.32 H new ATOM 0 HB3 ARG A 55 -11.958 5.755 5.582 1.00 61.32 H new ATOM 0 HG2 ARG A 55 -12.366 3.782 4.063 1.00 60.01 H new ATOM 0 HG3 ARG A 55 -12.319 2.728 5.462 1.00 60.01 H new ATOM 0 HD2 ARG A 55 -14.657 3.273 4.807 1.00 11.35 H new ATOM 0 HD3 ARG A 55 -14.298 3.829 6.430 1.00 11.35 H new ATOM 0 HE ARG A 55 -13.732 6.009 4.735 1.00 64.10 H new ATOM 0 HH11 ARG A 55 -16.631 4.086 5.566 1.00 34.32 H new ATOM 0 HH12 ARG A 55 -17.727 5.437 5.259 1.00 34.32 H new ATOM 0 HH21 ARG A 55 -15.163 7.687 4.371 1.00 74.23 H new ATOM 0 HH22 ARG A 55 -16.901 7.456 4.589 1.00 74.23 H new ATOM 935 N ASN A 56 -9.654 6.058 7.462 1.00 1.43 N ATOM 936 CA ASN A 56 -9.131 7.251 8.147 1.00 61.23 C ATOM 937 C ASN A 56 -8.063 6.818 9.167 1.00 31.04 C ATOM 938 O ASN A 56 -8.182 7.049 10.383 1.00 45.24 O ATOM 939 CB ASN A 56 -10.319 8.045 8.791 1.00 43.05 C ATOM 940 CG ASN A 56 -10.135 9.562 8.700 1.00 0.12 C ATOM 941 OD1 ASN A 56 -9.600 10.204 9.606 1.00 30.11 O ATOM 942 ND2 ASN A 56 -10.570 10.139 7.585 1.00 63.21 N ATOM 0 H ASN A 56 -10.295 5.506 8.033 1.00 1.43 H new ATOM 0 HA ASN A 56 -8.646 7.928 7.444 1.00 61.23 H new ATOM 0 HB2 ASN A 56 -11.248 7.766 8.295 1.00 43.05 H new ATOM 0 HB3 ASN A 56 -10.418 7.757 9.838 1.00 43.05 H new ATOM 0 HD21 ASN A 56 -10.466 11.146 7.458 1.00 63.21 H new ATOM 0 HD22 ASN A 56 -11.008 9.575 6.856 1.00 63.21 H new ATOM 949 N ILE A 57 -7.034 6.134 8.630 1.00 11.23 N ATOM 950 CA ILE A 57 -5.817 5.732 9.383 1.00 60.34 C ATOM 951 C ILE A 57 -4.945 6.961 9.717 1.00 15.35 C ATOM 952 O ILE A 57 -5.315 8.088 9.393 1.00 74.33 O ATOM 953 CB ILE A 57 -4.953 4.616 8.622 1.00 51.05 C ATOM 954 CG1 ILE A 57 -5.026 4.732 7.050 1.00 14.22 C ATOM 955 CG2 ILE A 57 -5.356 3.196 9.088 1.00 10.51 C ATOM 956 CD1 ILE A 57 -4.468 6.009 6.436 1.00 72.51 C ATOM 0 H ILE A 57 -7.018 5.840 7.653 1.00 11.23 H new ATOM 0 HA ILE A 57 -6.164 5.281 10.313 1.00 60.34 H new ATOM 0 HB ILE A 57 -3.913 4.798 8.893 1.00 51.05 H new ATOM 0 HG12 ILE A 57 -4.491 3.885 6.620 1.00 14.22 H new ATOM 0 HG13 ILE A 57 -6.069 4.636 6.749 1.00 14.22 H new ATOM 0 HG21 ILE A 57 -4.757 2.455 8.558 1.00 10.51 H new ATOM 0 HG22 ILE A 57 -5.184 3.102 10.160 1.00 10.51 H new ATOM 0 HG23 ILE A 57 -6.412 3.029 8.874 1.00 10.51 H new ATOM 0 HD11 ILE A 57 -4.576 5.969 5.352 1.00 72.51 H new ATOM 0 HD12 ILE A 57 -5.015 6.868 6.823 1.00 72.51 H new ATOM 0 HD13 ILE A 57 -3.413 6.105 6.693 1.00 72.51 H new ATOM 968 N SER A 58 -3.794 6.725 10.365 1.00 30.44 N ATOM 969 CA SER A 58 -2.868 7.789 10.805 1.00 33.22 C ATOM 970 C SER A 58 -1.647 7.871 9.845 1.00 33.53 C ATOM 971 O SER A 58 -1.439 6.972 9.027 1.00 33.22 O ATOM 972 CB SER A 58 -2.451 7.495 12.260 1.00 74.54 C ATOM 973 OG SER A 58 -3.591 7.217 13.058 1.00 41.45 O ATOM 0 H SER A 58 -3.474 5.786 10.602 1.00 30.44 H new ATOM 0 HA SER A 58 -3.355 8.764 10.772 1.00 33.22 H new ATOM 0 HB2 SER A 58 -1.767 6.646 12.284 1.00 74.54 H new ATOM 0 HB3 SER A 58 -1.913 8.350 12.670 1.00 74.54 H new ATOM 0 HG SER A 58 -3.876 6.291 12.909 1.00 41.45 H new ATOM 979 N LYS A 59 -0.844 8.950 9.974 1.00 73.22 N ATOM 980 CA LYS A 59 0.211 9.334 8.984 1.00 44.24 C ATOM 981 C LYS A 59 1.487 8.442 9.046 1.00 34.10 C ATOM 982 O LYS A 59 2.151 8.244 8.027 1.00 22.21 O ATOM 983 CB LYS A 59 0.600 10.848 9.120 1.00 2.30 C ATOM 984 CG LYS A 59 1.318 11.262 10.432 1.00 62.53 C ATOM 985 CD LYS A 59 0.397 11.281 11.675 1.00 53.31 C ATOM 986 CE LYS A 59 1.109 11.795 12.933 1.00 73.14 C ATOM 987 NZ LYS A 59 1.584 13.196 12.781 1.00 64.11 N ATOM 0 H LYS A 59 -0.902 9.588 10.768 1.00 73.22 H new ATOM 0 HA LYS A 59 -0.239 9.165 8.006 1.00 44.24 H new ATOM 0 HB2 LYS A 59 1.244 11.112 8.281 1.00 2.30 H new ATOM 0 HB3 LYS A 59 -0.308 11.444 9.025 1.00 2.30 H new ATOM 0 HG2 LYS A 59 2.144 10.574 10.615 1.00 62.53 H new ATOM 0 HG3 LYS A 59 1.752 12.253 10.299 1.00 62.53 H new ATOM 0 HD2 LYS A 59 -0.469 11.910 11.470 1.00 53.31 H new ATOM 0 HD3 LYS A 59 0.023 10.274 11.860 1.00 53.31 H new ATOM 0 HE2 LYS A 59 0.429 11.735 13.783 1.00 73.14 H new ATOM 0 HE3 LYS A 59 1.957 11.148 13.157 1.00 73.14 H new ATOM 0 HZ1 LYS A 59 1.872 13.567 13.709 1.00 64.11 H new ATOM 0 HZ2 LYS A 59 2.396 13.219 12.131 1.00 64.11 H new ATOM 0 HZ3 LYS A 59 0.816 13.783 12.397 1.00 64.11 H new ATOM 1001 N GLU A 60 1.863 7.964 10.242 1.00 5.41 N ATOM 1002 CA GLU A 60 2.957 6.964 10.399 1.00 61.51 C ATOM 1003 C GLU A 60 2.394 5.536 10.286 1.00 14.44 C ATOM 1004 O GLU A 60 3.098 4.600 9.900 1.00 41.33 O ATOM 1005 CB GLU A 60 3.724 7.132 11.747 1.00 21.31 C ATOM 1006 CG GLU A 60 2.929 6.793 13.037 1.00 65.12 C ATOM 1007 CD GLU A 60 1.857 7.832 13.413 1.00 24.24 C ATOM 1008 OE1 GLU A 60 0.704 7.721 12.933 1.00 72.43 O ATOM 1009 OE2 GLU A 60 2.173 8.778 14.171 1.00 73.50 O ATOM 0 H GLU A 60 1.432 8.248 11.122 1.00 5.41 H new ATOM 0 HA GLU A 60 3.671 7.139 9.594 1.00 61.51 H new ATOM 0 HB2 GLU A 60 4.612 6.501 11.716 1.00 21.31 H new ATOM 0 HB3 GLU A 60 4.069 8.164 11.818 1.00 21.31 H new ATOM 0 HG2 GLU A 60 2.449 5.823 12.909 1.00 65.12 H new ATOM 0 HG3 GLU A 60 3.630 6.695 13.866 1.00 65.12 H new ATOM 1016 N GLU A 61 1.122 5.394 10.666 1.00 50.12 N ATOM 1017 CA GLU A 61 0.398 4.111 10.649 1.00 44.32 C ATOM 1018 C GLU A 61 0.139 3.605 9.212 1.00 53.12 C ATOM 1019 O GLU A 61 0.110 2.401 8.971 1.00 13.33 O ATOM 1020 CB GLU A 61 -0.912 4.284 11.439 1.00 23.12 C ATOM 1021 CG GLU A 61 -1.826 3.045 11.528 1.00 21.00 C ATOM 1022 CD GLU A 61 -3.077 3.304 12.383 1.00 31.34 C ATOM 1023 OE1 GLU A 61 -3.293 2.604 13.398 1.00 1.45 O ATOM 1024 OE2 GLU A 61 -3.840 4.237 12.052 1.00 44.43 O ATOM 0 H GLU A 61 0.555 6.174 10.999 1.00 50.12 H new ATOM 0 HA GLU A 61 1.013 3.346 11.122 1.00 44.32 H new ATOM 0 HB2 GLU A 61 -0.661 4.597 12.452 1.00 23.12 H new ATOM 0 HB3 GLU A 61 -1.480 5.096 10.985 1.00 23.12 H new ATOM 0 HG2 GLU A 61 -2.130 2.747 10.524 1.00 21.00 H new ATOM 0 HG3 GLU A 61 -1.265 2.212 11.952 1.00 21.00 H new ATOM 1031 N LEU A 62 -0.014 4.528 8.249 1.00 71.42 N ATOM 1032 CA LEU A 62 -0.164 4.165 6.819 1.00 65.12 C ATOM 1033 C LEU A 62 1.168 3.656 6.237 1.00 63.53 C ATOM 1034 O LEU A 62 1.195 2.982 5.218 1.00 62.33 O ATOM 1035 CB LEU A 62 -0.762 5.345 5.997 1.00 13.04 C ATOM 1036 CG LEU A 62 -0.040 6.737 6.078 1.00 52.42 C ATOM 1037 CD1 LEU A 62 1.271 6.799 5.257 1.00 34.02 C ATOM 1038 CD2 LEU A 62 -0.997 7.877 5.679 1.00 34.44 C ATOM 0 H LEU A 62 -0.038 5.532 8.428 1.00 71.42 H new ATOM 0 HA LEU A 62 -0.876 3.343 6.747 1.00 65.12 H new ATOM 0 HB2 LEU A 62 -0.790 5.043 4.950 1.00 13.04 H new ATOM 0 HB3 LEU A 62 -1.795 5.485 6.316 1.00 13.04 H new ATOM 0 HG LEU A 62 0.250 6.869 7.120 1.00 52.42 H new ATOM 0 HD11 LEU A 62 1.717 7.788 5.358 1.00 34.02 H new ATOM 0 HD12 LEU A 62 1.968 6.047 5.627 1.00 34.02 H new ATOM 0 HD13 LEU A 62 1.052 6.605 4.207 1.00 34.02 H new ATOM 0 HD21 LEU A 62 -0.473 8.831 5.743 1.00 34.44 H new ATOM 0 HD22 LEU A 62 -1.343 7.721 4.657 1.00 34.44 H new ATOM 0 HD23 LEU A 62 -1.853 7.887 6.354 1.00 34.44 H new ATOM 1050 N LYS A 63 2.277 4.006 6.905 1.00 14.44 N ATOM 1051 CA LYS A 63 3.615 3.500 6.559 1.00 53.53 C ATOM 1052 C LYS A 63 3.757 2.023 6.965 1.00 53.32 C ATOM 1053 O LYS A 63 4.660 1.313 6.490 1.00 34.24 O ATOM 1054 CB LYS A 63 4.710 4.403 7.176 1.00 72.24 C ATOM 1055 CG LYS A 63 4.594 5.869 6.710 1.00 31.32 C ATOM 1056 CD LYS A 63 5.637 6.807 7.345 1.00 41.12 C ATOM 1057 CE LYS A 63 5.424 8.266 6.910 1.00 51.43 C ATOM 1058 NZ LYS A 63 6.464 9.175 7.456 1.00 43.31 N ATOM 0 H LYS A 63 2.273 4.646 7.699 1.00 14.44 H new ATOM 0 HA LYS A 63 3.747 3.540 5.478 1.00 53.53 H new ATOM 0 HB2 LYS A 63 4.640 4.363 8.263 1.00 72.24 H new ATOM 0 HB3 LYS A 63 5.692 4.015 6.906 1.00 72.24 H new ATOM 0 HG2 LYS A 63 4.699 5.905 5.626 1.00 31.32 H new ATOM 0 HG3 LYS A 63 3.596 6.238 6.946 1.00 31.32 H new ATOM 0 HD2 LYS A 63 5.576 6.738 8.431 1.00 41.12 H new ATOM 0 HD3 LYS A 63 6.639 6.484 7.061 1.00 41.12 H new ATOM 0 HE2 LYS A 63 5.430 8.323 5.821 1.00 51.43 H new ATOM 0 HE3 LYS A 63 4.441 8.602 7.241 1.00 51.43 H new ATOM 0 HZ1 LYS A 63 6.278 10.147 7.136 1.00 43.31 H new ATOM 0 HZ2 LYS A 63 6.442 9.143 8.495 1.00 43.31 H new ATOM 0 HZ3 LYS A 63 7.401 8.873 7.120 1.00 43.31 H new ATOM 1072 N LYS A 64 2.848 1.562 7.852 1.00 70.51 N ATOM 1073 CA LYS A 64 2.702 0.136 8.135 1.00 1.01 C ATOM 1074 C LYS A 64 2.149 -0.598 6.895 1.00 31.10 C ATOM 1075 O LYS A 64 2.536 -1.727 6.646 1.00 4.01 O ATOM 1076 CB LYS A 64 1.796 -0.112 9.368 1.00 54.35 C ATOM 1077 CG LYS A 64 2.286 0.540 10.688 1.00 24.13 C ATOM 1078 CD LYS A 64 3.684 0.052 11.151 1.00 62.24 C ATOM 1079 CE LYS A 64 3.786 -1.482 11.271 1.00 65.34 C ATOM 1080 NZ LYS A 64 2.678 -2.069 12.065 1.00 33.01 N ATOM 0 H LYS A 64 2.212 2.162 8.377 1.00 70.51 H new ATOM 0 HA LYS A 64 3.689 -0.262 8.371 1.00 1.01 H new ATOM 0 HB2 LYS A 64 0.796 0.262 9.146 1.00 54.35 H new ATOM 0 HB3 LYS A 64 1.707 -1.187 9.523 1.00 54.35 H new ATOM 0 HG2 LYS A 64 2.315 1.622 10.558 1.00 24.13 H new ATOM 0 HG3 LYS A 64 1.561 0.332 11.475 1.00 24.13 H new ATOM 0 HD2 LYS A 64 4.436 0.405 10.446 1.00 62.24 H new ATOM 0 HD3 LYS A 64 3.917 0.501 12.117 1.00 62.24 H new ATOM 0 HE2 LYS A 64 3.785 -1.921 10.273 1.00 65.34 H new ATOM 0 HE3 LYS A 64 4.738 -1.744 11.734 1.00 65.34 H new ATOM 0 HZ1 LYS A 64 2.849 -3.086 12.200 1.00 33.01 H new ATOM 0 HZ2 LYS A 64 2.629 -1.600 12.992 1.00 33.01 H new ATOM 0 HZ3 LYS A 64 1.779 -1.933 11.560 1.00 33.01 H new ATOM 1094 N LEU A 65 1.290 0.085 6.095 1.00 72.02 N ATOM 1095 CA LEU A 65 0.682 -0.501 4.870 1.00 33.34 C ATOM 1096 C LEU A 65 1.773 -0.900 3.845 1.00 24.11 C ATOM 1097 O LEU A 65 1.667 -1.942 3.184 1.00 51.04 O ATOM 1098 CB LEU A 65 -0.315 0.509 4.225 1.00 73.40 C ATOM 1099 CG LEU A 65 -1.531 0.959 5.101 1.00 41.01 C ATOM 1100 CD1 LEU A 65 -2.322 2.107 4.422 1.00 43.03 C ATOM 1101 CD2 LEU A 65 -2.448 -0.231 5.433 1.00 51.30 C ATOM 0 H LEU A 65 1.001 1.046 6.277 1.00 72.02 H new ATOM 0 HA LEU A 65 0.139 -1.401 5.159 1.00 33.34 H new ATOM 0 HB2 LEU A 65 0.243 1.400 3.936 1.00 73.40 H new ATOM 0 HB3 LEU A 65 -0.703 0.065 3.308 1.00 73.40 H new ATOM 0 HG LEU A 65 -1.136 1.344 6.041 1.00 41.01 H new ATOM 0 HD11 LEU A 65 -3.160 2.396 5.056 1.00 43.03 H new ATOM 0 HD12 LEU A 65 -1.665 2.964 4.275 1.00 43.03 H new ATOM 0 HD13 LEU A 65 -2.698 1.768 3.456 1.00 43.03 H new ATOM 0 HD21 LEU A 65 -3.284 0.113 6.043 1.00 51.30 H new ATOM 0 HD22 LEU A 65 -2.828 -0.667 4.509 1.00 51.30 H new ATOM 0 HD23 LEU A 65 -1.883 -0.983 5.983 1.00 51.30 H new ATOM 1113 N LEU A 66 2.826 -0.063 3.737 1.00 51.43 N ATOM 1114 CA LEU A 66 3.934 -0.291 2.791 1.00 64.10 C ATOM 1115 C LEU A 66 4.983 -1.256 3.366 1.00 63.44 C ATOM 1116 O LEU A 66 5.654 -1.958 2.607 1.00 61.42 O ATOM 1117 CB LEU A 66 4.566 1.060 2.340 1.00 34.05 C ATOM 1118 CG LEU A 66 5.320 1.901 3.435 1.00 60.31 C ATOM 1119 CD1 LEU A 66 6.813 1.515 3.585 1.00 71.12 C ATOM 1120 CD2 LEU A 66 5.172 3.406 3.192 1.00 11.55 C ATOM 0 H LEU A 66 2.930 0.782 4.298 1.00 51.43 H new ATOM 0 HA LEU A 66 3.523 -0.772 1.904 1.00 64.10 H new ATOM 0 HB2 LEU A 66 5.267 0.852 1.532 1.00 34.05 H new ATOM 0 HB3 LEU A 66 3.773 1.681 1.923 1.00 34.05 H new ATOM 0 HG LEU A 66 4.837 1.653 4.380 1.00 60.31 H new ATOM 0 HD11 LEU A 66 7.273 2.133 4.356 1.00 71.12 H new ATOM 0 HD12 LEU A 66 6.891 0.465 3.867 1.00 71.12 H new ATOM 0 HD13 LEU A 66 7.327 1.675 2.637 1.00 71.12 H new ATOM 0 HD21 LEU A 66 5.706 3.954 3.968 1.00 11.55 H new ATOM 0 HD22 LEU A 66 5.588 3.660 2.217 1.00 11.55 H new ATOM 0 HD23 LEU A 66 4.116 3.677 3.218 1.00 11.55 H new ATOM 1132 N GLU A 67 5.163 -1.277 4.712 1.00 33.31 N ATOM 1133 CA GLU A 67 6.089 -2.252 5.342 1.00 5.43 C ATOM 1134 C GLU A 67 5.458 -3.663 5.346 1.00 51.02 C ATOM 1135 O GLU A 67 6.167 -4.670 5.460 1.00 61.43 O ATOM 1136 CB GLU A 67 6.580 -1.780 6.755 1.00 54.31 C ATOM 1137 CG GLU A 67 5.585 -1.881 7.929 1.00 73.24 C ATOM 1138 CD GLU A 67 5.526 -3.249 8.636 1.00 73.43 C ATOM 1139 OE1 GLU A 67 6.439 -3.544 9.442 1.00 4.04 O ATOM 1140 OE2 GLU A 67 4.564 -4.021 8.417 1.00 50.14 O ATOM 0 H GLU A 67 4.694 -0.649 5.365 1.00 33.31 H new ATOM 0 HA GLU A 67 6.995 -2.308 4.738 1.00 5.43 H new ATOM 0 HB2 GLU A 67 7.465 -2.361 7.014 1.00 54.31 H new ATOM 0 HB3 GLU A 67 6.895 -0.740 6.671 1.00 54.31 H new ATOM 0 HG2 GLU A 67 5.843 -1.122 8.667 1.00 73.24 H new ATOM 0 HG3 GLU A 67 4.588 -1.640 7.559 1.00 73.24 H new ATOM 1147 N ARG A 68 4.111 -3.712 5.202 1.00 10.31 N ATOM 1148 CA ARG A 68 3.359 -4.957 4.956 1.00 64.22 C ATOM 1149 C ARG A 68 3.609 -5.495 3.531 1.00 51.32 C ATOM 1150 O ARG A 68 3.290 -6.642 3.251 1.00 12.22 O ATOM 1151 CB ARG A 68 1.839 -4.780 5.229 1.00 45.42 C ATOM 1152 CG ARG A 68 1.459 -4.526 6.732 1.00 24.11 C ATOM 1153 CD ARG A 68 0.484 -5.555 7.319 1.00 62.14 C ATOM 1154 NE ARG A 68 1.062 -6.909 7.364 1.00 22.45 N ATOM 1155 CZ ARG A 68 0.386 -8.045 7.137 1.00 31.44 C ATOM 1156 NH1 ARG A 68 -0.910 -8.031 6.824 1.00 71.01 N ATOM 1157 NH2 ARG A 68 1.017 -9.202 7.239 1.00 13.54 N ATOM 0 H ARG A 68 3.518 -2.884 5.254 1.00 10.31 H new ATOM 0 HA ARG A 68 3.732 -5.698 5.663 1.00 64.22 H new ATOM 0 HB2 ARG A 68 1.473 -3.945 4.631 1.00 45.42 H new ATOM 0 HB3 ARG A 68 1.317 -5.672 4.884 1.00 45.42 H new ATOM 0 HG2 ARG A 68 2.370 -4.524 7.330 1.00 24.11 H new ATOM 0 HG3 ARG A 68 1.018 -3.533 6.820 1.00 24.11 H new ATOM 0 HD2 ARG A 68 0.200 -5.250 8.326 1.00 62.14 H new ATOM 0 HD3 ARG A 68 -0.428 -5.571 6.722 1.00 62.14 H new ATOM 0 HE ARG A 68 2.054 -6.989 7.585 1.00 22.45 H new ATOM 0 HH11 ARG A 68 -1.408 -7.144 6.753 1.00 71.01 H new ATOM 0 HH12 ARG A 68 -1.403 -8.908 6.656 1.00 71.01 H new ATOM 0 HH21 ARG A 68 2.006 -9.223 7.488 1.00 13.54 H new ATOM 0 HH22 ARG A 68 0.515 -10.073 7.069 1.00 13.54 H new ATOM 1171 N ILE A 69 4.130 -4.644 2.631 1.00 53.54 N ATOM 1172 CA ILE A 69 4.570 -5.059 1.279 1.00 52.33 C ATOM 1173 C ILE A 69 6.005 -5.631 1.348 1.00 11.24 C ATOM 1174 O ILE A 69 6.288 -6.714 0.802 1.00 15.30 O ATOM 1175 CB ILE A 69 4.543 -3.838 0.274 1.00 24.34 C ATOM 1176 CG1 ILE A 69 3.149 -3.131 0.284 1.00 35.34 C ATOM 1177 CG2 ILE A 69 4.946 -4.272 -1.161 1.00 42.05 C ATOM 1178 CD1 ILE A 69 3.112 -1.799 -0.444 1.00 41.21 C ATOM 0 H ILE A 69 4.260 -3.649 2.815 1.00 53.54 H new ATOM 0 HA ILE A 69 3.882 -5.824 0.918 1.00 52.33 H new ATOM 0 HB ILE A 69 5.285 -3.116 0.615 1.00 24.34 H new ATOM 0 HG12 ILE A 69 2.415 -3.798 -0.168 1.00 35.34 H new ATOM 0 HG13 ILE A 69 2.843 -2.974 1.318 1.00 35.34 H new ATOM 0 HG21 ILE A 69 4.916 -3.408 -1.824 1.00 42.05 H new ATOM 0 HG22 ILE A 69 5.955 -4.684 -1.147 1.00 42.05 H new ATOM 0 HG23 ILE A 69 4.250 -5.030 -1.521 1.00 42.05 H new ATOM 0 HD11 ILE A 69 2.107 -1.381 -0.386 1.00 41.21 H new ATOM 0 HD12 ILE A 69 3.819 -1.111 0.020 1.00 41.21 H new ATOM 0 HD13 ILE A 69 3.383 -1.948 -1.489 1.00 41.21 H new ATOM 1190 N ARG A 70 6.911 -4.893 2.046 1.00 24.51 N ATOM 1191 CA ARG A 70 8.355 -5.238 2.079 1.00 22.22 C ATOM 1192 C ARG A 70 8.594 -6.587 2.761 1.00 2.34 C ATOM 1193 O ARG A 70 9.443 -7.362 2.319 1.00 73.14 O ATOM 1194 CB ARG A 70 9.231 -4.146 2.750 1.00 40.11 C ATOM 1195 CG ARG A 70 9.119 -4.008 4.285 1.00 44.34 C ATOM 1196 CD ARG A 70 10.226 -3.121 4.890 1.00 15.44 C ATOM 1197 NE ARG A 70 11.555 -3.733 4.710 1.00 73.53 N ATOM 1198 CZ ARG A 70 12.728 -3.088 4.771 1.00 40.24 C ATOM 1199 NH1 ARG A 70 12.786 -1.780 5.016 1.00 55.23 N ATOM 1200 NH2 ARG A 70 13.854 -3.773 4.609 1.00 31.44 N ATOM 0 H ARG A 70 6.668 -4.064 2.588 1.00 24.51 H new ATOM 0 HA ARG A 70 8.662 -5.304 1.035 1.00 22.22 H new ATOM 0 HB2 ARG A 70 10.273 -4.347 2.502 1.00 40.11 H new ATOM 0 HB3 ARG A 70 8.977 -3.185 2.303 1.00 40.11 H new ATOM 0 HG2 ARG A 70 8.145 -3.588 4.537 1.00 44.34 H new ATOM 0 HG3 ARG A 70 9.166 -4.998 4.738 1.00 44.34 H new ATOM 0 HD2 ARG A 70 10.208 -2.139 4.418 1.00 15.44 H new ATOM 0 HD3 ARG A 70 10.034 -2.968 5.952 1.00 15.44 H new ATOM 0 HE ARG A 70 11.584 -4.735 4.523 1.00 73.53 H new ATOM 0 HH11 ARG A 70 11.927 -1.250 5.161 1.00 55.23 H new ATOM 0 HH12 ARG A 70 13.690 -1.309 5.058 1.00 55.23 H new ATOM 0 HH21 ARG A 70 13.820 -4.778 4.440 1.00 31.44 H new ATOM 0 HH22 ARG A 70 14.753 -3.294 4.653 1.00 31.44 H new ATOM 1214 N GLU A 71 7.799 -6.872 3.822 1.00 52.15 N ATOM 1215 CA GLU A 71 7.874 -8.143 4.555 1.00 55.52 C ATOM 1216 C GLU A 71 7.574 -9.315 3.606 1.00 22.02 C ATOM 1217 O GLU A 71 8.155 -10.388 3.754 1.00 12.34 O ATOM 1218 CB GLU A 71 6.883 -8.161 5.752 1.00 20.32 C ATOM 1219 CG GLU A 71 5.401 -7.995 5.358 1.00 51.21 C ATOM 1220 CD GLU A 71 4.413 -8.194 6.516 1.00 34.15 C ATOM 1221 OE1 GLU A 71 4.212 -7.262 7.317 1.00 61.44 O ATOM 1222 OE2 GLU A 71 3.818 -9.288 6.622 1.00 62.13 O ATOM 0 H GLU A 71 7.096 -6.228 4.185 1.00 52.15 H new ATOM 0 HA GLU A 71 8.884 -8.247 4.950 1.00 55.52 H new ATOM 0 HB2 GLU A 71 7.000 -9.102 6.290 1.00 20.32 H new ATOM 0 HB3 GLU A 71 7.154 -7.363 6.443 1.00 20.32 H new ATOM 0 HG2 GLU A 71 5.258 -6.998 4.941 1.00 51.21 H new ATOM 0 HG3 GLU A 71 5.165 -8.708 4.568 1.00 51.21 H new ATOM 1229 N LYS A 72 6.693 -9.066 2.603 1.00 43.55 N ATOM 1230 CA LYS A 72 6.267 -10.088 1.642 1.00 33.33 C ATOM 1231 C LYS A 72 7.388 -10.367 0.619 1.00 25.34 C ATOM 1232 O LYS A 72 7.713 -11.531 0.368 1.00 64.23 O ATOM 1233 CB LYS A 72 4.951 -9.686 0.914 1.00 33.13 C ATOM 1234 CG LYS A 72 3.742 -9.344 1.814 1.00 61.51 C ATOM 1235 CD LYS A 72 3.490 -10.369 2.943 1.00 35.22 C ATOM 1236 CE LYS A 72 2.118 -10.192 3.630 1.00 52.02 C ATOM 1237 NZ LYS A 72 1.940 -8.849 4.250 1.00 32.11 N ATOM 0 H LYS A 72 6.266 -8.153 2.448 1.00 43.55 H new ATOM 0 HA LYS A 72 6.065 -11.001 2.202 1.00 33.33 H new ATOM 0 HB2 LYS A 72 5.161 -8.823 0.282 1.00 33.13 H new ATOM 0 HB3 LYS A 72 4.664 -10.503 0.253 1.00 33.13 H new ATOM 0 HG2 LYS A 72 3.899 -8.361 2.258 1.00 61.51 H new ATOM 0 HG3 LYS A 72 2.848 -9.275 1.194 1.00 61.51 H new ATOM 0 HD2 LYS A 72 3.556 -11.376 2.532 1.00 35.22 H new ATOM 0 HD3 LYS A 72 4.278 -10.278 3.691 1.00 35.22 H new ATOM 0 HE2 LYS A 72 1.328 -10.354 2.896 1.00 52.02 H new ATOM 0 HE3 LYS A 72 2.002 -10.957 4.397 1.00 52.02 H new ATOM 0 HZ1 LYS A 72 0.937 -8.704 4.482 1.00 32.11 H new ATOM 0 HZ2 LYS A 72 2.508 -8.790 5.119 1.00 32.11 H new ATOM 0 HZ3 LYS A 72 2.251 -8.115 3.582 1.00 32.11 H new ATOM 1251 N ILE A 73 8.002 -9.295 0.057 1.00 75.22 N ATOM 1252 CA ILE A 73 9.075 -9.457 -0.969 1.00 22.15 C ATOM 1253 C ILE A 73 10.365 -10.066 -0.351 1.00 42.13 C ATOM 1254 O ILE A 73 11.144 -10.703 -1.057 1.00 61.21 O ATOM 1255 CB ILE A 73 9.412 -8.115 -1.771 1.00 72.33 C ATOM 1256 CG1 ILE A 73 10.193 -7.040 -0.920 1.00 73.30 C ATOM 1257 CG2 ILE A 73 8.131 -7.500 -2.379 1.00 41.40 C ATOM 1258 CD1 ILE A 73 11.719 -7.123 -1.016 1.00 52.41 C ATOM 0 H ILE A 73 7.782 -8.326 0.288 1.00 75.22 H new ATOM 0 HA ILE A 73 8.670 -10.155 -1.702 1.00 22.15 H new ATOM 0 HB ILE A 73 10.087 -8.413 -2.573 1.00 72.33 H new ATOM 0 HG12 ILE A 73 9.877 -6.047 -1.239 1.00 73.30 H new ATOM 0 HG13 ILE A 73 9.903 -7.146 0.125 1.00 73.30 H new ATOM 0 HG21 ILE A 73 8.386 -6.588 -2.919 1.00 41.40 H new ATOM 0 HG22 ILE A 73 7.675 -8.213 -3.066 1.00 41.40 H new ATOM 0 HG23 ILE A 73 7.427 -7.264 -1.581 1.00 41.40 H new ATOM 0 HD11 ILE A 73 12.165 -6.344 -0.397 1.00 52.41 H new ATOM 0 HD12 ILE A 73 12.053 -8.100 -0.667 1.00 52.41 H new ATOM 0 HD13 ILE A 73 12.026 -6.984 -2.052 1.00 52.41 H new ATOM 1270 N GLU A 74 10.578 -9.836 0.972 1.00 44.11 N ATOM 1271 CA GLU A 74 11.772 -10.325 1.709 1.00 51.44 C ATOM 1272 C GLU A 74 11.600 -11.794 2.148 1.00 64.53 C ATOM 1273 O GLU A 74 12.539 -12.590 2.007 1.00 2.11 O ATOM 1274 CB GLU A 74 12.094 -9.409 2.926 1.00 12.23 C ATOM 1275 CG GLU A 74 12.562 -7.988 2.531 1.00 53.31 C ATOM 1276 CD GLU A 74 12.862 -7.087 3.741 1.00 70.35 C ATOM 1277 OE1 GLU A 74 14.040 -6.701 3.951 1.00 2.11 O ATOM 1278 OE2 GLU A 74 11.921 -6.762 4.500 1.00 54.30 O ATOM 0 H GLU A 74 9.928 -9.308 1.555 1.00 44.11 H new ATOM 0 HA GLU A 74 12.620 -10.283 1.026 1.00 51.44 H new ATOM 0 HB2 GLU A 74 11.206 -9.328 3.553 1.00 12.23 H new ATOM 0 HB3 GLU A 74 12.868 -9.882 3.530 1.00 12.23 H new ATOM 0 HG2 GLU A 74 13.457 -8.066 1.914 1.00 53.31 H new ATOM 0 HG3 GLU A 74 11.793 -7.517 1.918 1.00 53.31 H new ATOM 1285 N ARG A 75 10.403 -12.158 2.679 1.00 63.22 N ATOM 1286 CA ARG A 75 10.104 -13.568 3.063 1.00 41.22 C ATOM 1287 C ARG A 75 10.108 -14.466 1.815 1.00 74.30 C ATOM 1288 O ARG A 75 10.513 -15.632 1.877 1.00 44.05 O ATOM 1289 CB ARG A 75 8.736 -13.713 3.808 1.00 23.24 C ATOM 1290 CG ARG A 75 7.491 -13.340 2.971 1.00 51.14 C ATOM 1291 CD ARG A 75 6.150 -13.558 3.695 1.00 63.51 C ATOM 1292 NE ARG A 75 5.814 -14.987 3.828 1.00 53.43 N ATOM 1293 CZ ARG A 75 5.155 -15.723 2.910 1.00 1.24 C ATOM 1294 NH1 ARG A 75 4.735 -15.193 1.762 1.00 70.42 N ATOM 1295 NH2 ARG A 75 4.946 -17.006 3.141 1.00 1.54 N ATOM 0 H ARG A 75 9.637 -11.506 2.850 1.00 63.22 H new ATOM 0 HA ARG A 75 10.887 -13.881 3.754 1.00 41.22 H new ATOM 0 HB2 ARG A 75 8.632 -14.744 4.146 1.00 23.24 H new ATOM 0 HB3 ARG A 75 8.757 -13.086 4.699 1.00 23.24 H new ATOM 0 HG2 ARG A 75 7.566 -12.293 2.678 1.00 51.14 H new ATOM 0 HG3 ARG A 75 7.495 -13.929 2.054 1.00 51.14 H new ATOM 0 HD2 ARG A 75 6.196 -13.104 4.685 1.00 63.51 H new ATOM 0 HD3 ARG A 75 5.357 -13.050 3.147 1.00 63.51 H new ATOM 0 HE ARG A 75 6.104 -15.458 4.685 1.00 53.43 H new ATOM 0 HH11 ARG A 75 4.910 -14.208 1.561 1.00 70.42 H new ATOM 0 HH12 ARG A 75 4.239 -15.772 1.084 1.00 70.42 H new ATOM 0 HH21 ARG A 75 5.282 -17.430 4.006 1.00 1.54 H new ATOM 0 HH22 ARG A 75 4.449 -17.573 2.455 1.00 1.54 H new ATOM 1309 N GLU A 76 9.664 -13.893 0.687 1.00 2.23 N ATOM 1310 CA GLU A 76 9.568 -14.606 -0.581 1.00 23.43 C ATOM 1311 C GLU A 76 10.949 -14.693 -1.255 1.00 3.32 C ATOM 1312 O GLU A 76 11.456 -15.784 -1.537 1.00 13.11 O ATOM 1313 CB GLU A 76 8.562 -13.881 -1.508 1.00 73.14 C ATOM 1314 CG GLU A 76 8.135 -14.682 -2.741 1.00 55.02 C ATOM 1315 CD GLU A 76 7.320 -15.940 -2.402 1.00 11.25 C ATOM 1316 OE1 GLU A 76 6.078 -15.848 -2.310 1.00 61.43 O ATOM 1317 OE2 GLU A 76 7.921 -17.027 -2.222 1.00 41.24 O ATOM 0 H GLU A 76 9.362 -12.920 0.635 1.00 2.23 H new ATOM 0 HA GLU A 76 9.215 -15.620 -0.393 1.00 23.43 H new ATOM 0 HB2 GLU A 76 7.673 -13.629 -0.930 1.00 73.14 H new ATOM 0 HB3 GLU A 76 9.005 -12.941 -1.838 1.00 73.14 H new ATOM 0 HG2 GLU A 76 7.544 -14.041 -3.394 1.00 55.02 H new ATOM 0 HG3 GLU A 76 9.024 -14.974 -3.300 1.00 55.02 H new ATOM 1324 N GLY A 77 11.552 -13.512 -1.473 1.00 14.22 N ATOM 1325 CA GLY A 77 12.795 -13.376 -2.241 1.00 24.33 C ATOM 1326 C GLY A 77 12.549 -13.056 -3.718 1.00 23.13 C ATOM 1327 O GLY A 77 13.501 -12.816 -4.472 1.00 1.53 O ATOM 0 H GLY A 77 11.189 -12.626 -1.120 1.00 14.22 H new ATOM 0 HA2 GLY A 77 13.405 -12.587 -1.800 1.00 24.33 H new ATOM 0 HA3 GLY A 77 13.367 -14.301 -2.165 1.00 24.33 H new ATOM 1331 N SER A 78 11.266 -13.045 -4.124 1.00 51.53 N ATOM 1332 CA SER A 78 10.852 -12.775 -5.508 1.00 33.50 C ATOM 1333 C SER A 78 10.684 -11.265 -5.755 1.00 53.44 C ATOM 1334 O SER A 78 10.345 -10.502 -4.837 1.00 20.13 O ATOM 1335 CB SER A 78 9.527 -13.503 -5.811 1.00 53.25 C ATOM 1336 OG SER A 78 9.649 -14.906 -5.631 1.00 65.32 O ATOM 0 H SER A 78 10.484 -13.225 -3.494 1.00 51.53 H new ATOM 0 HA SER A 78 11.633 -13.145 -6.173 1.00 33.50 H new ATOM 0 HB2 SER A 78 8.743 -13.119 -5.159 1.00 53.25 H new ATOM 0 HB3 SER A 78 9.221 -13.292 -6.836 1.00 53.25 H new ATOM 0 HG SER A 78 9.300 -15.369 -6.421 1.00 65.32 H new ATOM 1342 N SER A 79 10.910 -10.870 -7.019 1.00 72.31 N ATOM 1343 CA SER A 79 10.726 -9.491 -7.502 1.00 21.14 C ATOM 1344 C SER A 79 9.280 -9.285 -8.005 1.00 71.23 C ATOM 1345 O SER A 79 8.870 -8.151 -8.266 1.00 22.33 O ATOM 1346 CB SER A 79 11.747 -9.207 -8.636 1.00 35.53 C ATOM 1347 OG SER A 79 11.749 -7.841 -9.024 1.00 71.52 O ATOM 0 H SER A 79 11.231 -11.510 -7.746 1.00 72.31 H new ATOM 0 HA SER A 79 10.898 -8.793 -6.683 1.00 21.14 H new ATOM 0 HB2 SER A 79 12.746 -9.490 -8.303 1.00 35.53 H new ATOM 0 HB3 SER A 79 11.511 -9.828 -9.500 1.00 35.53 H new ATOM 0 HG SER A 79 10.841 -7.479 -8.951 1.00 71.52 H new ATOM 1353 N GLU A 80 8.521 -10.397 -8.153 1.00 21.21 N ATOM 1354 CA GLU A 80 7.122 -10.356 -8.592 1.00 52.33 C ATOM 1355 C GLU A 80 6.245 -9.772 -7.467 1.00 34.42 C ATOM 1356 O GLU A 80 5.856 -10.481 -6.538 1.00 55.15 O ATOM 1357 CB GLU A 80 6.635 -11.775 -9.008 1.00 44.12 C ATOM 1358 CG GLU A 80 5.212 -11.803 -9.609 1.00 4.31 C ATOM 1359 CD GLU A 80 4.703 -13.222 -9.888 1.00 70.44 C ATOM 1360 OE1 GLU A 80 4.128 -13.836 -8.970 1.00 12.15 O ATOM 1361 OE2 GLU A 80 4.876 -13.729 -11.022 1.00 2.42 O ATOM 0 H GLU A 80 8.867 -11.339 -7.970 1.00 21.21 H new ATOM 0 HA GLU A 80 7.039 -9.712 -9.467 1.00 52.33 H new ATOM 0 HB2 GLU A 80 7.333 -12.188 -9.736 1.00 44.12 H new ATOM 0 HB3 GLU A 80 6.662 -12.427 -8.135 1.00 44.12 H new ATOM 0 HG2 GLU A 80 4.525 -11.306 -8.924 1.00 4.31 H new ATOM 0 HG3 GLU A 80 5.205 -11.232 -10.538 1.00 4.31 H new ATOM 1368 N VAL A 81 6.022 -8.450 -7.535 1.00 31.45 N ATOM 1369 CA VAL A 81 5.151 -7.713 -6.607 1.00 4.33 C ATOM 1370 C VAL A 81 4.248 -6.759 -7.408 1.00 62.12 C ATOM 1371 O VAL A 81 4.703 -6.075 -8.339 1.00 1.23 O ATOM 1372 CB VAL A 81 5.978 -6.927 -5.506 1.00 71.42 C ATOM 1373 CG1 VAL A 81 7.041 -5.997 -6.122 1.00 11.22 C ATOM 1374 CG2 VAL A 81 5.043 -6.155 -4.535 1.00 41.45 C ATOM 0 H VAL A 81 6.448 -7.855 -8.246 1.00 31.45 H new ATOM 0 HA VAL A 81 4.533 -8.434 -6.071 1.00 4.33 H new ATOM 0 HB VAL A 81 6.515 -7.676 -4.925 1.00 71.42 H new ATOM 0 HG11 VAL A 81 7.579 -5.482 -5.326 1.00 11.22 H new ATOM 0 HG12 VAL A 81 7.743 -6.587 -6.712 1.00 11.22 H new ATOM 0 HG13 VAL A 81 6.554 -5.263 -6.764 1.00 11.22 H new ATOM 0 HG21 VAL A 81 5.644 -5.628 -3.794 1.00 41.45 H new ATOM 0 HG22 VAL A 81 4.448 -5.436 -5.098 1.00 41.45 H new ATOM 0 HG23 VAL A 81 4.381 -6.859 -4.031 1.00 41.45 H new ATOM 1384 N GLU A 82 2.954 -6.770 -7.069 1.00 73.05 N ATOM 1385 CA GLU A 82 1.951 -5.878 -7.655 1.00 73.00 C ATOM 1386 C GLU A 82 1.056 -5.338 -6.534 1.00 43.15 C ATOM 1387 O GLU A 82 0.244 -6.075 -5.969 1.00 42.40 O ATOM 1388 CB GLU A 82 1.119 -6.645 -8.708 1.00 12.13 C ATOM 1389 CG GLU A 82 0.039 -5.796 -9.405 1.00 33.32 C ATOM 1390 CD GLU A 82 -0.778 -6.606 -10.416 1.00 60.14 C ATOM 1391 OE1 GLU A 82 -0.365 -6.695 -11.588 1.00 63.04 O ATOM 1392 OE2 GLU A 82 -1.825 -7.169 -10.034 1.00 14.31 O ATOM 0 H GLU A 82 2.571 -7.407 -6.371 1.00 73.05 H new ATOM 0 HA GLU A 82 2.437 -5.041 -8.156 1.00 73.00 H new ATOM 0 HB2 GLU A 82 1.793 -7.046 -9.465 1.00 12.13 H new ATOM 0 HB3 GLU A 82 0.639 -7.496 -8.225 1.00 12.13 H new ATOM 0 HG2 GLU A 82 -0.630 -5.377 -8.654 1.00 33.32 H new ATOM 0 HG3 GLU A 82 0.513 -4.957 -9.914 1.00 33.32 H new ATOM 1399 N VAL A 83 1.232 -4.054 -6.201 1.00 62.15 N ATOM 1400 CA VAL A 83 0.459 -3.388 -5.149 1.00 3.15 C ATOM 1401 C VAL A 83 -0.672 -2.591 -5.806 1.00 55.40 C ATOM 1402 O VAL A 83 -0.420 -1.614 -6.513 1.00 64.31 O ATOM 1403 CB VAL A 83 1.358 -2.415 -4.295 1.00 35.42 C ATOM 1404 CG1 VAL A 83 0.562 -1.854 -3.091 1.00 22.50 C ATOM 1405 CG2 VAL A 83 2.667 -3.111 -3.850 1.00 44.55 C ATOM 0 H VAL A 83 1.915 -3.448 -6.655 1.00 62.15 H new ATOM 0 HA VAL A 83 0.060 -4.147 -4.477 1.00 3.15 H new ATOM 0 HB VAL A 83 1.644 -1.571 -4.922 1.00 35.42 H new ATOM 0 HG11 VAL A 83 1.199 -1.184 -2.514 1.00 22.50 H new ATOM 0 HG12 VAL A 83 -0.307 -1.305 -3.453 1.00 22.50 H new ATOM 0 HG13 VAL A 83 0.232 -2.677 -2.457 1.00 22.50 H new ATOM 0 HG21 VAL A 83 3.267 -2.416 -3.263 1.00 44.55 H new ATOM 0 HG22 VAL A 83 2.427 -3.985 -3.244 1.00 44.55 H new ATOM 0 HG23 VAL A 83 3.230 -3.423 -4.729 1.00 44.55 H new ATOM 1415 N ASN A 84 -1.910 -3.045 -5.601 1.00 52.35 N ATOM 1416 CA ASN A 84 -3.104 -2.373 -6.101 1.00 31.24 C ATOM 1417 C ASN A 84 -3.732 -1.597 -4.944 1.00 12.10 C ATOM 1418 O ASN A 84 -4.280 -2.193 -4.013 1.00 54.03 O ATOM 1419 CB ASN A 84 -4.100 -3.418 -6.675 1.00 1.34 C ATOM 1420 CG ASN A 84 -3.533 -4.305 -7.797 1.00 62.11 C ATOM 1421 OD1 ASN A 84 -3.966 -5.440 -7.976 1.00 31.22 O ATOM 1422 ND2 ASN A 84 -2.573 -3.812 -8.567 1.00 1.45 N ATOM 0 H ASN A 84 -2.110 -3.898 -5.078 1.00 52.35 H new ATOM 0 HA ASN A 84 -2.847 -1.684 -6.906 1.00 31.24 H new ATOM 0 HB2 ASN A 84 -4.440 -4.059 -5.862 1.00 1.34 H new ATOM 0 HB3 ASN A 84 -4.976 -2.893 -7.055 1.00 1.34 H new ATOM 0 HD21 ASN A 84 -2.183 -4.377 -9.321 1.00 1.45 H new ATOM 0 HD22 ASN A 84 -2.224 -2.867 -8.405 1.00 1.45 H new ATOM 1429 N VAL A 85 -3.603 -0.266 -4.990 1.00 34.55 N ATOM 1430 CA VAL A 85 -4.204 0.637 -4.006 1.00 30.11 C ATOM 1431 C VAL A 85 -5.542 1.124 -4.565 1.00 3.34 C ATOM 1432 O VAL A 85 -5.572 1.915 -5.507 1.00 41.30 O ATOM 1433 CB VAL A 85 -3.257 1.856 -3.689 1.00 74.01 C ATOM 1434 CG1 VAL A 85 -3.874 2.815 -2.635 1.00 65.11 C ATOM 1435 CG2 VAL A 85 -1.866 1.353 -3.247 1.00 40.40 C ATOM 0 H VAL A 85 -3.075 0.217 -5.717 1.00 34.55 H new ATOM 0 HA VAL A 85 -4.357 0.104 -3.068 1.00 30.11 H new ATOM 0 HB VAL A 85 -3.140 2.434 -4.606 1.00 74.01 H new ATOM 0 HG11 VAL A 85 -3.187 3.640 -2.448 1.00 65.11 H new ATOM 0 HG12 VAL A 85 -4.819 3.208 -3.010 1.00 65.11 H new ATOM 0 HG13 VAL A 85 -4.050 2.271 -1.707 1.00 65.11 H new ATOM 0 HG21 VAL A 85 -1.222 2.206 -3.031 1.00 40.40 H new ATOM 0 HG22 VAL A 85 -1.968 0.740 -2.352 1.00 40.40 H new ATOM 0 HG23 VAL A 85 -1.424 0.758 -4.046 1.00 40.40 H new ATOM 1445 N HIS A 86 -6.637 0.610 -4.004 1.00 31.40 N ATOM 1446 CA HIS A 86 -7.995 0.931 -4.451 1.00 30.42 C ATOM 1447 C HIS A 86 -8.527 2.037 -3.526 1.00 20.23 C ATOM 1448 O HIS A 86 -8.746 1.772 -2.347 1.00 11.31 O ATOM 1449 CB HIS A 86 -8.895 -0.346 -4.366 1.00 61.52 C ATOM 1450 CG HIS A 86 -8.250 -1.616 -4.891 1.00 64.10 C ATOM 1451 ND1 HIS A 86 -8.416 -2.086 -6.174 1.00 11.32 N ATOM 1452 CD2 HIS A 86 -7.444 -2.523 -4.274 1.00 13.04 C ATOM 1453 CE1 HIS A 86 -7.754 -3.220 -6.317 1.00 63.53 C ATOM 1454 NE2 HIS A 86 -7.155 -3.504 -5.182 1.00 15.44 N ATOM 0 H HIS A 86 -6.608 -0.045 -3.222 1.00 31.40 H new ATOM 0 HA HIS A 86 -8.001 1.271 -5.487 1.00 30.42 H new ATOM 0 HB2 HIS A 86 -9.180 -0.503 -3.326 1.00 61.52 H new ATOM 0 HB3 HIS A 86 -9.813 -0.164 -4.924 1.00 61.52 H new ATOM 0 HD2 HIS A 86 -7.096 -2.476 -3.253 1.00 13.04 H new ATOM 0 HE1 HIS A 86 -7.712 -3.815 -7.217 1.00 63.53 H new ATOM 0 HE2 HIS A 86 -6.571 -4.322 -5.007 1.00 15.44 H new ATOM 1463 N SER A 87 -8.724 3.268 -4.047 1.00 12.03 N ATOM 1464 CA SER A 87 -9.162 4.418 -3.226 1.00 71.24 C ATOM 1465 C SER A 87 -10.180 5.286 -3.984 1.00 14.45 C ATOM 1466 O SER A 87 -9.822 5.990 -4.943 1.00 24.30 O ATOM 1467 CB SER A 87 -7.946 5.262 -2.780 1.00 32.45 C ATOM 1468 OG SER A 87 -6.965 4.458 -2.138 1.00 55.32 O ATOM 0 H SER A 87 -8.586 3.491 -5.033 1.00 12.03 H new ATOM 0 HA SER A 87 -9.655 4.028 -2.336 1.00 71.24 H new ATOM 0 HB2 SER A 87 -7.505 5.754 -3.647 1.00 32.45 H new ATOM 0 HB3 SER A 87 -8.276 6.048 -2.101 1.00 32.45 H new ATOM 0 HG SER A 87 -6.072 4.733 -2.433 1.00 55.32 H new ATOM 1474 N GLY A 88 -11.457 5.181 -3.548 1.00 52.41 N ATOM 1475 CA GLY A 88 -12.555 6.010 -4.051 1.00 1.04 C ATOM 1476 C GLY A 88 -12.877 5.783 -5.526 1.00 24.24 C ATOM 1477 O GLY A 88 -13.259 6.721 -6.235 1.00 54.50 O ATOM 0 H GLY A 88 -11.746 4.513 -2.834 1.00 52.41 H new ATOM 0 HA2 GLY A 88 -13.448 5.810 -3.459 1.00 1.04 H new ATOM 0 HA3 GLY A 88 -12.302 7.060 -3.902 1.00 1.04 H new ATOM 1481 N GLY A 89 -12.697 4.529 -5.985 1.00 60.02 N ATOM 1482 CA GLY A 89 -12.977 4.143 -7.377 1.00 41.24 C ATOM 1483 C GLY A 89 -11.724 4.025 -8.239 1.00 61.31 C ATOM 1484 O GLY A 89 -11.794 3.483 -9.344 1.00 42.25 O ATOM 0 H GLY A 89 -12.356 3.763 -5.405 1.00 60.02 H new ATOM 0 HA2 GLY A 89 -13.503 3.189 -7.382 1.00 41.24 H new ATOM 0 HA3 GLY A 89 -13.647 4.879 -7.822 1.00 41.24 H new ATOM 1488 N GLN A 90 -10.582 4.546 -7.743 1.00 33.53 N ATOM 1489 CA GLN A 90 -9.280 4.475 -8.453 1.00 53.54 C ATOM 1490 C GLN A 90 -8.502 3.227 -8.013 1.00 32.33 C ATOM 1491 O GLN A 90 -8.762 2.689 -6.942 1.00 3.23 O ATOM 1492 CB GLN A 90 -8.432 5.743 -8.161 1.00 13.04 C ATOM 1493 CG GLN A 90 -9.099 7.061 -8.581 1.00 53.44 C ATOM 1494 CD GLN A 90 -8.251 8.293 -8.253 1.00 30.11 C ATOM 1495 OE1 GLN A 90 -7.453 8.753 -9.069 1.00 72.42 O ATOM 1496 NE2 GLN A 90 -8.385 8.807 -7.043 1.00 74.50 N ATOM 0 H GLN A 90 -10.532 5.026 -6.844 1.00 33.53 H new ATOM 0 HA GLN A 90 -9.478 4.417 -9.523 1.00 53.54 H new ATOM 0 HB2 GLN A 90 -8.216 5.783 -7.093 1.00 13.04 H new ATOM 0 HB3 GLN A 90 -7.476 5.653 -8.677 1.00 13.04 H new ATOM 0 HG2 GLN A 90 -9.295 7.037 -9.653 1.00 53.44 H new ATOM 0 HG3 GLN A 90 -10.064 7.148 -8.082 1.00 53.44 H new ATOM 0 HE21 GLN A 90 -9.055 8.403 -6.389 1.00 74.50 H new ATOM 0 HE22 GLN A 90 -7.818 9.607 -6.763 1.00 74.50 H new ATOM 1505 N THR A 91 -7.567 2.759 -8.866 1.00 14.33 N ATOM 1506 CA THR A 91 -6.617 1.689 -8.520 1.00 63.24 C ATOM 1507 C THR A 91 -5.237 1.987 -9.151 1.00 1.23 C ATOM 1508 O THR A 91 -5.103 2.013 -10.379 1.00 31.52 O ATOM 1509 CB THR A 91 -7.124 0.271 -8.966 1.00 43.42 C ATOM 1510 OG1 THR A 91 -8.369 -0.037 -8.309 1.00 41.23 O ATOM 1511 CG2 THR A 91 -6.099 -0.835 -8.635 1.00 74.15 C ATOM 0 H THR A 91 -7.452 3.115 -9.815 1.00 14.33 H new ATOM 0 HA THR A 91 -6.528 1.669 -7.434 1.00 63.24 H new ATOM 0 HB THR A 91 -7.263 0.302 -10.047 1.00 43.42 H new ATOM 0 HG1 THR A 91 -8.219 -0.731 -7.633 1.00 41.23 H new ATOM 0 HG21 THR A 91 -6.488 -1.800 -8.959 1.00 74.15 H new ATOM 0 HG22 THR A 91 -5.162 -0.629 -9.152 1.00 74.15 H new ATOM 0 HG23 THR A 91 -5.923 -0.858 -7.560 1.00 74.15 H new ATOM 1519 N TRP A 92 -4.232 2.234 -8.294 1.00 21.23 N ATOM 1520 CA TRP A 92 -2.824 2.402 -8.709 1.00 64.31 C ATOM 1521 C TRP A 92 -2.108 1.036 -8.651 1.00 31.12 C ATOM 1522 O TRP A 92 -2.162 0.366 -7.620 1.00 14.11 O ATOM 1523 CB TRP A 92 -2.111 3.409 -7.770 1.00 34.24 C ATOM 1524 CG TRP A 92 -2.660 4.822 -7.805 1.00 42.54 C ATOM 1525 CD1 TRP A 92 -2.242 5.857 -8.600 1.00 71.14 C ATOM 1526 CD2 TRP A 92 -3.718 5.353 -6.994 1.00 63.41 C ATOM 1527 NE1 TRP A 92 -2.972 6.986 -8.326 1.00 40.04 N ATOM 1528 CE2 TRP A 92 -3.883 6.702 -7.344 1.00 15.10 C ATOM 1529 CE3 TRP A 92 -4.537 4.815 -6.008 1.00 22.52 C ATOM 1530 CZ2 TRP A 92 -4.837 7.518 -6.739 1.00 64.53 C ATOM 1531 CZ3 TRP A 92 -5.479 5.616 -5.408 1.00 54.23 C ATOM 1532 CH2 TRP A 92 -5.625 6.958 -5.772 1.00 32.12 C ATOM 0 H TRP A 92 -4.372 2.324 -7.288 1.00 21.23 H new ATOM 0 HA TRP A 92 -2.792 2.787 -9.728 1.00 64.31 H new ATOM 0 HB2 TRP A 92 -2.175 3.036 -6.748 1.00 34.24 H new ATOM 0 HB3 TRP A 92 -1.053 3.440 -8.032 1.00 34.24 H new ATOM 0 HD1 TRP A 92 -1.453 5.793 -9.335 1.00 71.14 H new ATOM 0 HE1 TRP A 92 -2.855 7.891 -8.781 1.00 40.04 H new ATOM 0 HE3 TRP A 92 -4.434 3.780 -5.717 1.00 22.52 H new ATOM 0 HZ2 TRP A 92 -4.950 8.554 -7.023 1.00 64.53 H new ATOM 0 HZ3 TRP A 92 -6.118 5.202 -4.642 1.00 54.23 H new ATOM 0 HH2 TRP A 92 -6.373 7.563 -5.281 1.00 32.12 H new ATOM 1543 N THR A 93 -1.462 0.626 -9.761 1.00 15.53 N ATOM 1544 CA THR A 93 -0.689 -0.637 -9.835 1.00 14.25 C ATOM 1545 C THR A 93 0.829 -0.343 -9.750 1.00 73.40 C ATOM 1546 O THR A 93 1.417 0.200 -10.690 1.00 11.41 O ATOM 1547 CB THR A 93 -1.021 -1.423 -11.158 1.00 23.03 C ATOM 1548 OG1 THR A 93 -0.743 -0.607 -12.312 1.00 0.35 O ATOM 1549 CG2 THR A 93 -2.496 -1.870 -11.205 1.00 72.14 C ATOM 0 H THR A 93 -1.459 1.158 -10.631 1.00 15.53 H new ATOM 0 HA THR A 93 -0.974 -1.261 -8.988 1.00 14.25 H new ATOM 0 HB THR A 93 -0.389 -2.311 -11.168 1.00 23.03 H new ATOM 0 HG1 THR A 93 0.080 -0.097 -12.161 1.00 0.35 H new ATOM 0 HG21 THR A 93 -2.684 -2.409 -12.134 1.00 72.14 H new ATOM 0 HG22 THR A 93 -2.705 -2.523 -10.358 1.00 72.14 H new ATOM 0 HG23 THR A 93 -3.143 -0.994 -11.156 1.00 72.14 H new ATOM 1557 N PHE A 94 1.450 -0.672 -8.598 1.00 22.33 N ATOM 1558 CA PHE A 94 2.903 -0.503 -8.375 1.00 33.52 C ATOM 1559 C PHE A 94 3.623 -1.849 -8.566 1.00 34.31 C ATOM 1560 O PHE A 94 3.480 -2.769 -7.751 1.00 2.44 O ATOM 1561 CB PHE A 94 3.182 0.057 -6.948 1.00 35.52 C ATOM 1562 CG PHE A 94 2.642 1.464 -6.719 1.00 50.11 C ATOM 1563 CD1 PHE A 94 3.426 2.584 -6.999 1.00 11.23 C ATOM 1564 CD2 PHE A 94 1.358 1.666 -6.218 1.00 52.54 C ATOM 1565 CE1 PHE A 94 2.936 3.859 -6.793 1.00 33.32 C ATOM 1566 CE2 PHE A 94 0.876 2.940 -6.013 1.00 74.30 C ATOM 1567 CZ PHE A 94 1.665 4.037 -6.295 1.00 25.40 C ATOM 0 H PHE A 94 0.958 -1.063 -7.795 1.00 22.33 H new ATOM 0 HA PHE A 94 3.284 0.213 -9.104 1.00 33.52 H new ATOM 0 HB2 PHE A 94 2.740 -0.615 -6.212 1.00 35.52 H new ATOM 0 HB3 PHE A 94 4.258 0.059 -6.773 1.00 35.52 H new ATOM 0 HD1 PHE A 94 4.428 2.452 -7.381 1.00 11.23 H new ATOM 0 HD2 PHE A 94 0.734 0.815 -5.988 1.00 52.54 H new ATOM 0 HE1 PHE A 94 3.551 4.717 -7.023 1.00 33.32 H new ATOM 0 HE2 PHE A 94 -0.124 3.081 -5.630 1.00 74.30 H new ATOM 0 HZ PHE A 94 1.286 5.034 -6.125 1.00 25.40 H new ATOM 1577 N ASN A 95 4.379 -1.954 -9.664 1.00 11.05 N ATOM 1578 CA ASN A 95 5.251 -3.110 -9.953 1.00 14.33 C ATOM 1579 C ASN A 95 6.694 -2.764 -9.579 1.00 22.24 C ATOM 1580 O ASN A 95 7.049 -1.577 -9.490 1.00 35.30 O ATOM 1581 CB ASN A 95 5.167 -3.496 -11.455 1.00 71.41 C ATOM 1582 CG ASN A 95 3.776 -3.965 -11.905 1.00 32.35 C ATOM 1583 OD1 ASN A 95 3.350 -3.677 -13.026 1.00 15.10 O ATOM 1584 ND2 ASN A 95 3.069 -4.725 -11.061 1.00 32.22 N ATOM 0 H ASN A 95 4.407 -1.235 -10.387 1.00 11.05 H new ATOM 0 HA ASN A 95 4.917 -3.963 -9.362 1.00 14.33 H new ATOM 0 HB2 ASN A 95 5.461 -2.636 -12.057 1.00 71.41 H new ATOM 0 HB3 ASN A 95 5.888 -4.288 -11.656 1.00 71.41 H new ATOM 0 HD21 ASN A 95 2.155 -5.081 -11.339 1.00 32.22 H new ATOM 0 HD22 ASN A 95 3.444 -4.948 -10.139 1.00 32.22 H new ATOM 1591 N GLU A 96 7.511 -3.805 -9.338 1.00 72.42 N ATOM 1592 CA GLU A 96 8.946 -3.643 -9.045 1.00 70.45 C ATOM 1593 C GLU A 96 9.648 -3.016 -10.276 1.00 43.42 C ATOM 1594 O GLU A 96 9.443 -3.476 -11.412 1.00 63.12 O ATOM 1595 CB GLU A 96 9.585 -5.019 -8.648 1.00 33.23 C ATOM 1596 CG GLU A 96 10.645 -4.955 -7.518 1.00 45.32 C ATOM 1597 CD GLU A 96 11.816 -3.998 -7.808 1.00 75.33 C ATOM 1598 OE1 GLU A 96 11.799 -2.842 -7.320 1.00 52.41 O ATOM 1599 OE2 GLU A 96 12.756 -4.392 -8.533 1.00 2.23 O ATOM 0 H GLU A 96 7.198 -4.776 -9.341 1.00 72.42 H new ATOM 0 HA GLU A 96 9.076 -2.974 -8.195 1.00 70.45 H new ATOM 0 HB2 GLU A 96 8.788 -5.695 -8.339 1.00 33.23 H new ATOM 0 HB3 GLU A 96 10.047 -5.455 -9.533 1.00 33.23 H new ATOM 0 HG2 GLU A 96 10.157 -4.645 -6.594 1.00 45.32 H new ATOM 0 HG3 GLU A 96 11.041 -5.956 -7.349 1.00 45.32 H new ATOM 1606 N LYS A 97 10.468 -1.976 -10.040 1.00 72.55 N ATOM 1607 CA LYS A 97 11.117 -1.196 -11.111 1.00 20.22 C ATOM 1608 C LYS A 97 12.607 -1.614 -11.260 1.00 3.10 C ATOM 1609 O LYS A 97 12.880 -2.566 -12.021 1.00 52.21 O ATOM 1610 CB LYS A 97 10.927 0.345 -10.861 1.00 52.12 C ATOM 1611 CG LYS A 97 11.237 0.845 -9.424 1.00 1.30 C ATOM 1612 CD LYS A 97 11.197 2.389 -9.302 1.00 2.51 C ATOM 1613 CE LYS A 97 12.250 3.085 -10.192 1.00 14.41 C ATOM 1614 NZ LYS A 97 12.133 4.572 -10.161 1.00 62.30 N ATOM 1615 OXT LYS A 97 13.495 -1.013 -10.623 1.00 39.51 O ATOM 0 H LYS A 97 10.700 -1.652 -9.101 1.00 72.55 H new ATOM 0 HA LYS A 97 10.637 -1.416 -12.064 1.00 20.22 H new ATOM 0 HB2 LYS A 97 11.565 0.887 -11.559 1.00 52.12 H new ATOM 0 HB3 LYS A 97 9.897 0.608 -11.101 1.00 52.12 H new ATOM 0 HG2 LYS A 97 10.516 0.412 -8.730 1.00 1.30 H new ATOM 0 HG3 LYS A 97 12.222 0.487 -9.125 1.00 1.30 H new ATOM 0 HD2 LYS A 97 10.204 2.745 -9.575 1.00 2.51 H new ATOM 0 HD3 LYS A 97 11.362 2.672 -8.262 1.00 2.51 H new ATOM 0 HE2 LYS A 97 13.248 2.796 -9.862 1.00 14.41 H new ATOM 0 HE3 LYS A 97 12.140 2.737 -11.219 1.00 14.41 H new ATOM 0 HZ1 LYS A 97 12.862 4.990 -10.774 1.00 62.30 H new ATOM 0 HZ2 LYS A 97 11.191 4.853 -10.501 1.00 62.30 H new ATOM 0 HZ3 LYS A 97 12.265 4.910 -9.186 1.00 62.30 H new TER 1629 LYS A 97