USER MOD reduce.3.24.130724 H: found=0, std=0, add=1152, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1152 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 83 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 GLN : amide:sc= 0.477 K(o=0.48,f=-0.028) USER MOD Set 2.1: A 9 SER OG : rot 120:sc= 0.0848 USER MOD Set 2.2: A 14 THR OG1 : rot 160:sc= 0.0783 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.68 (180deg=-1.54) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.4) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.012 (180deg=-0.185) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= -1.36 (180deg=-2.54!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -2.88! C(o=-2.9!,f=-4.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 44:sc= 0.0199 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.49) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -160:sc= -1.02 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.061) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.1) USER MOD Single : A 52 THR OG1 : rot 82:sc= 0.179 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0202 (180deg=-0.232) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -163:sc= 0.0289 USER MOD Single : A 108 THR OG1 : rot 2:sc= 0.695 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -116:sc= 1.02 (180deg=-0.0572) USER MOD Single : A 115 LYS NZ :NH3+ 147:sc= -0.57 (180deg=-2.6!) USER MOD Single : A 116 SER OG : rot 81:sc= 0.764 USER MOD Single : A 126 SER OG : rot -64:sc= 1.23 USER MOD Single : A 129 HIS : no HE2:sc=-0.00169 K(o=-0.0017,f=-0.66) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= -0.0686 K(o=-0.069,f=-1) USER MOD Single : A 133 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.38) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.083 8.475 11.328 1.00 0.00 N ATOM 2 CA MET A 1 4.482 8.182 9.924 1.00 52.33 C ATOM 3 C MET A 1 4.444 6.674 9.629 1.00 73.33 C ATOM 4 O MET A 1 5.273 5.917 10.128 1.00 54.22 O ATOM 5 CB MET A 1 5.887 8.738 9.643 1.00 31.04 C ATOM 6 CG MET A 1 6.438 8.356 8.271 1.00 34.00 C ATOM 7 SD MET A 1 5.352 8.859 6.920 1.00 44.31 S ATOM 8 CE MET A 1 5.538 10.641 6.959 1.00 12.14 C ATOM 0 H1 MET A 1 4.120 9.501 11.492 1.00 0.00 H new ATOM 0 H2 MET A 1 3.115 8.133 11.492 1.00 0.00 H new ATOM 0 H3 MET A 1 4.735 7.996 11.981 1.00 0.00 H new ATOM 0 HA MET A 1 3.763 8.671 9.266 1.00 52.33 H new ATOM 0 HB2 MET A 1 5.860 9.825 9.724 1.00 31.04 H new ATOM 0 HB3 MET A 1 6.571 8.378 10.412 1.00 31.04 H new ATOM 0 HG2 MET A 1 7.417 8.817 8.136 1.00 34.00 H new ATOM 0 HG3 MET A 1 6.585 7.277 8.231 1.00 34.00 H new ATOM 0 HE1 MET A 1 4.732 11.104 6.390 1.00 12.14 H new ATOM 0 HE2 MET A 1 5.499 10.988 7.991 1.00 12.14 H new ATOM 0 HE3 MET A 1 6.497 10.916 6.520 1.00 12.14 H new ATOM 20 N ASN A 2 3.464 6.252 8.826 1.00 53.42 N ATOM 21 CA ASN A 2 3.346 4.854 8.381 1.00 23.34 C ATOM 22 C ASN A 2 2.195 4.712 7.370 1.00 54.12 C ATOM 23 O ASN A 2 1.078 5.163 7.626 1.00 33.51 O ATOM 24 CB ASN A 2 3.119 3.910 9.574 1.00 44.14 C ATOM 25 CG ASN A 2 3.096 2.449 9.159 1.00 64.43 C ATOM 26 OD1 ASN A 2 3.726 2.057 8.184 1.00 32.21 O ATOM 27 ND2 ASN A 2 2.372 1.629 9.894 1.00 41.41 N ATOM 0 H ASN A 2 2.731 6.863 8.465 1.00 53.42 H new ATOM 0 HA ASN A 2 4.282 4.574 7.898 1.00 23.34 H new ATOM 0 HB2 ASN A 2 3.908 4.063 10.311 1.00 44.14 H new ATOM 0 HB3 ASN A 2 2.176 4.162 10.059 1.00 44.14 H new ATOM 0 HD21 ASN A 2 2.325 0.638 9.657 1.00 41.41 H new ATOM 0 HD22 ASN A 2 1.858 1.985 10.700 1.00 41.41 H new ATOM 34 N ILE A 3 2.466 4.084 6.230 1.00 64.02 N ATOM 35 CA ILE A 3 1.474 3.975 5.153 1.00 72.15 C ATOM 36 C ILE A 3 1.655 2.679 4.340 1.00 14.13 C ATOM 37 O ILE A 3 2.772 2.318 3.962 1.00 15.03 O ATOM 38 CB ILE A 3 1.544 5.215 4.218 1.00 21.01 C ATOM 39 CG1 ILE A 3 0.562 5.079 3.043 1.00 71.30 C ATOM 40 CG2 ILE A 3 2.970 5.437 3.717 1.00 65.12 C ATOM 41 CD1 ILE A 3 0.471 6.320 2.177 1.00 73.34 C ATOM 0 H ILE A 3 3.362 3.642 6.023 1.00 64.02 H new ATOM 0 HA ILE A 3 0.489 3.939 5.618 1.00 72.15 H new ATOM 0 HB ILE A 3 1.249 6.090 4.798 1.00 21.01 H new ATOM 0 HG12 ILE A 3 0.866 4.236 2.423 1.00 71.30 H new ATOM 0 HG13 ILE A 3 -0.428 4.846 3.434 1.00 71.30 H new ATOM 0 HG21 ILE A 3 2.995 6.310 3.065 1.00 65.12 H new ATOM 0 HG22 ILE A 3 3.633 5.600 4.567 1.00 65.12 H new ATOM 0 HG23 ILE A 3 3.301 4.560 3.162 1.00 65.12 H new ATOM 0 HD11 ILE A 3 -0.241 6.149 1.369 1.00 73.34 H new ATOM 0 HD12 ILE A 3 0.137 7.163 2.782 1.00 73.34 H new ATOM 0 HD13 ILE A 3 1.451 6.542 1.756 1.00 73.34 H new ATOM 53 N VAL A 4 0.545 1.982 4.088 1.00 75.33 N ATOM 54 CA VAL A 4 0.562 0.715 3.343 1.00 65.21 C ATOM 55 C VAL A 4 0.060 0.907 1.902 1.00 62.43 C ATOM 56 O VAL A 4 -1.024 1.443 1.678 1.00 63.00 O ATOM 57 CB VAL A 4 -0.316 -0.357 4.041 1.00 22.00 C ATOM 58 CG1 VAL A 4 -0.250 -1.690 3.295 1.00 20.51 C ATOM 59 CG2 VAL A 4 0.097 -0.529 5.505 1.00 33.13 C ATOM 0 H VAL A 4 -0.384 2.274 4.390 1.00 75.33 H new ATOM 0 HA VAL A 4 1.598 0.376 3.320 1.00 65.21 H new ATOM 0 HB VAL A 4 -1.350 -0.012 4.019 1.00 22.00 H new ATOM 0 HG11 VAL A 4 -0.874 -2.424 3.805 1.00 20.51 H new ATOM 0 HG12 VAL A 4 -0.609 -1.554 2.275 1.00 20.51 H new ATOM 0 HG13 VAL A 4 0.781 -2.044 3.272 1.00 20.51 H new ATOM 0 HG21 VAL A 4 -0.532 -1.285 5.974 1.00 33.13 H new ATOM 0 HG22 VAL A 4 1.140 -0.843 5.554 1.00 33.13 H new ATOM 0 HG23 VAL A 4 -0.022 0.419 6.030 1.00 33.13 H new ATOM 69 N ILE A 5 0.853 0.468 0.927 1.00 1.20 N ATOM 70 CA ILE A 5 0.481 0.598 -0.489 1.00 43.14 C ATOM 71 C ILE A 5 0.230 -0.778 -1.135 1.00 31.14 C ATOM 72 O ILE A 5 1.165 -1.534 -1.388 1.00 51.41 O ATOM 73 CB ILE A 5 1.583 1.346 -1.281 1.00 13.25 C ATOM 74 CG1 ILE A 5 1.897 2.695 -0.610 1.00 41.12 C ATOM 75 CG2 ILE A 5 1.152 1.554 -2.736 1.00 22.33 C ATOM 76 CD1 ILE A 5 3.077 3.425 -1.219 1.00 63.40 C ATOM 0 H ILE A 5 1.755 0.020 1.086 1.00 1.20 H new ATOM 0 HA ILE A 5 -0.444 1.174 -0.527 1.00 43.14 H new ATOM 0 HB ILE A 5 2.488 0.738 -1.278 1.00 13.25 H new ATOM 0 HG12 ILE A 5 1.016 3.334 -0.672 1.00 41.12 H new ATOM 0 HG13 ILE A 5 2.094 2.526 0.449 1.00 41.12 H new ATOM 0 HG21 ILE A 5 1.938 2.081 -3.277 1.00 22.33 H new ATOM 0 HG22 ILE A 5 0.975 0.586 -3.205 1.00 22.33 H new ATOM 0 HG23 ILE A 5 0.235 2.143 -2.763 1.00 22.33 H new ATOM 0 HD11 ILE A 5 3.234 4.366 -0.692 1.00 63.40 H new ATOM 0 HD12 ILE A 5 3.971 2.807 -1.133 1.00 63.40 H new ATOM 0 HD13 ILE A 5 2.876 3.628 -2.271 1.00 63.40 H new ATOM 88 N VAL A 6 -1.037 -1.099 -1.389 1.00 40.21 N ATOM 89 CA VAL A 6 -1.416 -2.381 -1.998 1.00 4.33 C ATOM 90 C VAL A 6 -1.427 -2.295 -3.536 1.00 40.44 C ATOM 91 O VAL A 6 -2.284 -1.634 -4.127 1.00 33.42 O ATOM 92 CB VAL A 6 -2.811 -2.840 -1.505 1.00 24.13 C ATOM 93 CG1 VAL A 6 -3.187 -4.192 -2.109 1.00 24.31 C ATOM 94 CG2 VAL A 6 -2.852 -2.893 0.022 1.00 2.25 C ATOM 0 H VAL A 6 -1.826 -0.487 -1.182 1.00 40.21 H new ATOM 0 HA VAL A 6 -0.666 -3.111 -1.692 1.00 4.33 H new ATOM 0 HB VAL A 6 -3.547 -2.109 -1.840 1.00 24.13 H new ATOM 0 HG11 VAL A 6 -4.171 -4.491 -1.747 1.00 24.31 H new ATOM 0 HG12 VAL A 6 -3.210 -4.111 -3.196 1.00 24.31 H new ATOM 0 HG13 VAL A 6 -2.450 -4.939 -1.816 1.00 24.31 H new ATOM 0 HG21 VAL A 6 -3.840 -3.217 0.348 1.00 2.25 H new ATOM 0 HG22 VAL A 6 -2.102 -3.597 0.382 1.00 2.25 H new ATOM 0 HG23 VAL A 6 -2.644 -1.902 0.426 1.00 2.25 H new ATOM 104 N VAL A 7 -0.475 -2.969 -4.176 1.00 15.02 N ATOM 105 CA VAL A 7 -0.351 -2.951 -5.639 1.00 32.23 C ATOM 106 C VAL A 7 -0.858 -4.264 -6.267 1.00 32.13 C ATOM 107 O VAL A 7 -0.323 -5.340 -5.995 1.00 22.33 O ATOM 108 CB VAL A 7 1.125 -2.716 -6.066 1.00 72.35 C ATOM 109 CG1 VAL A 7 1.261 -2.669 -7.587 1.00 71.11 C ATOM 110 CG2 VAL A 7 1.675 -1.437 -5.437 1.00 21.43 C ATOM 0 H VAL A 7 0.228 -3.539 -3.705 1.00 15.02 H new ATOM 0 HA VAL A 7 -0.969 -2.129 -6.001 1.00 32.23 H new ATOM 0 HB VAL A 7 1.713 -3.559 -5.703 1.00 72.35 H new ATOM 0 HG11 VAL A 7 2.305 -2.503 -7.854 1.00 71.11 H new ATOM 0 HG12 VAL A 7 0.923 -3.614 -8.012 1.00 71.11 H new ATOM 0 HG13 VAL A 7 0.652 -1.856 -7.982 1.00 71.11 H new ATOM 0 HG21 VAL A 7 2.709 -1.293 -5.750 1.00 21.43 H new ATOM 0 HG22 VAL A 7 1.076 -0.586 -5.761 1.00 21.43 H new ATOM 0 HG23 VAL A 7 1.633 -1.518 -4.351 1.00 21.43 H new ATOM 120 N PHE A 8 -1.894 -4.168 -7.104 1.00 31.34 N ATOM 121 CA PHE A 8 -2.431 -5.335 -7.826 1.00 32.23 C ATOM 122 C PHE A 8 -1.680 -5.583 -9.146 1.00 72.15 C ATOM 123 O PHE A 8 -1.963 -6.543 -9.862 1.00 50.53 O ATOM 124 CB PHE A 8 -3.930 -5.152 -8.110 1.00 25.35 C ATOM 125 CG PHE A 8 -4.816 -5.311 -6.898 1.00 64.11 C ATOM 126 CD1 PHE A 8 -4.903 -4.309 -5.943 1.00 0.44 C ATOM 127 CD2 PHE A 8 -5.562 -6.470 -6.717 1.00 12.54 C ATOM 128 CE1 PHE A 8 -5.713 -4.459 -4.834 1.00 70.15 C ATOM 129 CE2 PHE A 8 -6.373 -6.622 -5.609 1.00 71.30 C ATOM 130 CZ PHE A 8 -6.449 -5.616 -4.667 1.00 24.32 C ATOM 0 H PHE A 8 -2.382 -3.294 -7.302 1.00 31.34 H new ATOM 0 HA PHE A 8 -2.288 -6.205 -7.185 1.00 32.23 H new ATOM 0 HB2 PHE A 8 -4.089 -4.161 -8.534 1.00 25.35 H new ATOM 0 HB3 PHE A 8 -4.235 -5.875 -8.866 1.00 25.35 H new ATOM 0 HD1 PHE A 8 -4.331 -3.401 -6.068 1.00 0.44 H new ATOM 0 HD2 PHE A 8 -5.507 -7.260 -7.451 1.00 12.54 H new ATOM 0 HE1 PHE A 8 -5.771 -3.671 -4.097 1.00 70.15 H new ATOM 0 HE2 PHE A 8 -6.947 -7.528 -5.480 1.00 71.30 H new ATOM 0 HZ PHE A 8 -7.083 -5.733 -3.801 1.00 24.32 H new ATOM 140 N SER A 9 -0.737 -4.704 -9.478 1.00 24.34 N ATOM 141 CA SER A 9 0.091 -4.876 -10.681 1.00 43.42 C ATOM 142 C SER A 9 1.342 -5.704 -10.364 1.00 45.44 C ATOM 143 O SER A 9 2.271 -5.221 -9.722 1.00 74.42 O ATOM 144 CB SER A 9 0.500 -3.514 -11.266 1.00 61.25 C ATOM 145 OG SER A 9 1.280 -3.665 -12.448 1.00 54.31 O ATOM 0 H SER A 9 -0.524 -3.866 -8.936 1.00 24.34 H new ATOM 0 HA SER A 9 -0.506 -5.408 -11.422 1.00 43.42 H new ATOM 0 HB2 SER A 9 -0.393 -2.931 -11.491 1.00 61.25 H new ATOM 0 HB3 SER A 9 1.068 -2.954 -10.523 1.00 61.25 H new ATOM 0 HG SER A 9 0.824 -3.231 -13.199 1.00 54.31 H new ATOM 151 N THR A 10 1.350 -6.959 -10.809 1.00 0.25 N ATOM 152 CA THR A 10 2.464 -7.883 -10.540 1.00 74.54 C ATOM 153 C THR A 10 3.767 -7.444 -11.223 1.00 63.21 C ATOM 154 O THR A 10 4.856 -7.873 -10.836 1.00 71.13 O ATOM 155 CB THR A 10 2.124 -9.318 -11.005 1.00 63.24 C ATOM 156 OG1 THR A 10 1.797 -9.316 -12.407 1.00 13.12 O ATOM 157 CG2 THR A 10 0.957 -9.892 -10.205 1.00 11.40 C ATOM 0 H THR A 10 0.595 -7.367 -11.361 1.00 0.25 H new ATOM 0 HA THR A 10 2.613 -7.866 -9.460 1.00 74.54 H new ATOM 0 HB THR A 10 2.999 -9.946 -10.836 1.00 63.24 H new ATOM 0 HG1 THR A 10 1.585 -10.228 -12.695 1.00 13.12 H new ATOM 0 HG21 THR A 10 0.739 -10.902 -10.553 1.00 11.40 H new ATOM 0 HG22 THR A 10 1.220 -9.921 -9.148 1.00 11.40 H new ATOM 0 HG23 THR A 10 0.077 -9.263 -10.343 1.00 11.40 H new ATOM 165 N ASP A 11 3.652 -6.593 -12.237 1.00 74.12 N ATOM 166 CA ASP A 11 4.816 -6.099 -12.973 1.00 22.32 C ATOM 167 C ASP A 11 5.775 -5.306 -12.069 1.00 33.44 C ATOM 168 O ASP A 11 5.461 -4.191 -11.639 1.00 52.10 O ATOM 169 CB ASP A 11 4.363 -5.220 -14.140 1.00 3.23 C ATOM 170 CG ASP A 11 3.521 -5.988 -15.139 1.00 12.12 C ATOM 171 OD1 ASP A 11 4.099 -6.657 -16.019 1.00 1.51 O ATOM 172 OD2 ASP A 11 2.277 -5.938 -15.043 1.00 41.20 O ATOM 0 H ASP A 11 2.760 -6.228 -12.571 1.00 74.12 H new ATOM 0 HA ASP A 11 5.356 -6.967 -13.351 1.00 22.32 H new ATOM 0 HB2 ASP A 11 3.790 -4.376 -13.756 1.00 3.23 H new ATOM 0 HB3 ASP A 11 5.237 -4.809 -14.644 1.00 3.23 H new ATOM 177 N GLU A 12 6.949 -5.883 -11.789 1.00 32.04 N ATOM 178 CA GLU A 12 7.983 -5.187 -11.011 1.00 4.52 C ATOM 179 C GLU A 12 8.327 -3.834 -11.647 1.00 1.42 C ATOM 180 O GLU A 12 8.697 -2.887 -10.956 1.00 13.11 O ATOM 181 CB GLU A 12 9.253 -6.045 -10.896 1.00 3.04 C ATOM 182 CG GLU A 12 10.352 -5.396 -10.056 1.00 11.35 C ATOM 183 CD GLU A 12 11.657 -6.171 -10.086 1.00 42.34 C ATOM 184 OE1 GLU A 12 12.470 -5.933 -11.008 1.00 74.02 O ATOM 185 OE2 GLU A 12 11.881 -7.017 -9.193 1.00 32.22 O ATOM 0 H GLU A 12 7.207 -6.824 -12.087 1.00 32.04 H new ATOM 0 HA GLU A 12 7.584 -5.015 -10.011 1.00 4.52 H new ATOM 0 HB2 GLU A 12 8.993 -7.009 -10.458 1.00 3.04 H new ATOM 0 HB3 GLU A 12 9.640 -6.243 -11.896 1.00 3.04 H new ATOM 0 HG2 GLU A 12 10.529 -4.383 -10.419 1.00 11.35 H new ATOM 0 HG3 GLU A 12 10.010 -5.310 -9.024 1.00 11.35 H new ATOM 192 N GLU A 13 8.202 -3.755 -12.971 1.00 73.24 N ATOM 193 CA GLU A 13 8.433 -2.504 -13.695 1.00 34.32 C ATOM 194 C GLU A 13 7.473 -1.403 -13.221 1.00 43.05 C ATOM 195 O GLU A 13 7.889 -0.275 -12.958 1.00 74.51 O ATOM 196 CB GLU A 13 8.279 -2.724 -15.205 1.00 21.41 C ATOM 197 CG GLU A 13 8.836 -1.580 -16.044 1.00 53.24 C ATOM 198 CD GLU A 13 10.318 -1.348 -15.788 1.00 73.02 C ATOM 199 OE1 GLU A 13 11.123 -2.261 -16.071 1.00 32.32 O ATOM 200 OE2 GLU A 13 10.687 -0.265 -15.287 1.00 34.52 O ATOM 0 H GLU A 13 7.942 -4.542 -13.565 1.00 73.24 H new ATOM 0 HA GLU A 13 9.452 -2.180 -13.486 1.00 34.32 H new ATOM 0 HB2 GLU A 13 8.785 -3.648 -15.483 1.00 21.41 H new ATOM 0 HB3 GLU A 13 7.223 -2.856 -15.439 1.00 21.41 H new ATOM 0 HG2 GLU A 13 8.681 -1.798 -17.101 1.00 53.24 H new ATOM 0 HG3 GLU A 13 8.283 -0.667 -15.823 1.00 53.24 H new ATOM 207 N THR A 14 6.186 -1.736 -13.107 1.00 12.35 N ATOM 208 CA THR A 14 5.195 -0.799 -12.562 1.00 35.53 C ATOM 209 C THR A 14 5.580 -0.392 -11.138 1.00 62.02 C ATOM 210 O THR A 14 5.587 0.790 -10.793 1.00 43.33 O ATOM 211 CB THR A 14 3.771 -1.413 -12.536 1.00 1.53 C ATOM 212 OG1 THR A 14 3.389 -1.852 -13.850 1.00 71.21 O ATOM 213 CG2 THR A 14 2.745 -0.406 -12.023 1.00 32.10 C ATOM 0 H THR A 14 5.805 -2.641 -13.382 1.00 12.35 H new ATOM 0 HA THR A 14 5.186 0.073 -13.216 1.00 35.53 H new ATOM 0 HB THR A 14 3.794 -2.267 -11.859 1.00 1.53 H new ATOM 0 HG1 THR A 14 2.664 -2.507 -13.778 1.00 71.21 H new ATOM 0 HG21 THR A 14 1.756 -0.865 -12.016 1.00 32.10 H new ATOM 0 HG22 THR A 14 3.010 -0.100 -11.011 1.00 32.10 H new ATOM 0 HG23 THR A 14 2.735 0.467 -12.675 1.00 32.10 H new ATOM 221 N LEU A 15 5.916 -1.389 -10.324 1.00 1.13 N ATOM 222 CA LEU A 15 6.376 -1.162 -8.953 1.00 73.24 C ATOM 223 C LEU A 15 7.646 -0.292 -8.917 1.00 40.13 C ATOM 224 O LEU A 15 7.831 0.516 -8.008 1.00 35.43 O ATOM 225 CB LEU A 15 6.644 -2.511 -8.267 1.00 32.35 C ATOM 226 CG LEU A 15 7.194 -2.430 -6.833 1.00 23.42 C ATOM 227 CD1 LEU A 15 6.212 -1.711 -5.909 1.00 35.31 C ATOM 228 CD2 LEU A 15 7.517 -3.825 -6.302 1.00 4.50 C ATOM 0 H LEU A 15 5.878 -2.372 -10.592 1.00 1.13 H new ATOM 0 HA LEU A 15 5.592 -0.626 -8.418 1.00 73.24 H new ATOM 0 HB2 LEU A 15 5.714 -3.080 -8.249 1.00 32.35 H new ATOM 0 HB3 LEU A 15 7.351 -3.074 -8.877 1.00 32.35 H new ATOM 0 HG LEU A 15 8.117 -1.850 -6.856 1.00 23.42 H new ATOM 0 HD11 LEU A 15 6.626 -1.668 -4.901 1.00 35.31 H new ATOM 0 HD12 LEU A 15 6.042 -0.699 -6.275 1.00 35.31 H new ATOM 0 HD13 LEU A 15 5.267 -2.253 -5.890 1.00 35.31 H new ATOM 0 HD21 LEU A 15 7.905 -3.747 -5.286 1.00 4.50 H new ATOM 0 HD22 LEU A 15 6.612 -4.432 -6.299 1.00 4.50 H new ATOM 0 HD23 LEU A 15 8.266 -4.293 -6.941 1.00 4.50 H new ATOM 240 N ARG A 16 8.510 -0.456 -9.921 1.00 51.21 N ATOM 241 CA ARG A 16 9.777 0.281 -9.990 1.00 30.04 C ATOM 242 C ARG A 16 9.533 1.800 -9.986 1.00 13.34 C ATOM 243 O ARG A 16 10.312 2.567 -9.416 1.00 3.32 O ATOM 244 CB ARG A 16 10.567 -0.127 -11.245 1.00 42.15 C ATOM 245 CG ARG A 16 12.076 -0.205 -11.022 1.00 33.24 C ATOM 246 CD ARG A 16 12.834 -0.515 -12.312 1.00 42.20 C ATOM 247 NE ARG A 16 12.211 -1.588 -13.093 1.00 34.44 N ATOM 248 CZ ARG A 16 12.295 -2.867 -12.814 1.00 43.11 C ATOM 249 NH1 ARG A 16 12.921 -3.278 -11.756 1.00 1.15 N ATOM 250 NH2 ARG A 16 11.751 -3.735 -13.611 1.00 54.35 N ATOM 0 H ARG A 16 8.356 -1.095 -10.701 1.00 51.21 H new ATOM 0 HA ARG A 16 10.363 0.028 -9.107 1.00 30.04 H new ATOM 0 HB2 ARG A 16 10.209 -1.097 -11.590 1.00 42.15 H new ATOM 0 HB3 ARG A 16 10.363 0.589 -12.041 1.00 42.15 H new ATOM 0 HG2 ARG A 16 12.431 0.741 -10.612 1.00 33.24 H new ATOM 0 HG3 ARG A 16 12.293 -0.974 -10.281 1.00 33.24 H new ATOM 0 HD2 ARG A 16 12.889 0.387 -12.921 1.00 42.20 H new ATOM 0 HD3 ARG A 16 13.858 -0.797 -12.067 1.00 42.20 H new ATOM 0 HE ARG A 16 11.671 -1.320 -13.916 1.00 34.44 H new ATOM 0 HH11 ARG A 16 13.357 -2.604 -11.127 1.00 1.15 H new ATOM 0 HH12 ARG A 16 12.978 -4.276 -11.552 1.00 1.15 H new ATOM 0 HH21 ARG A 16 11.261 -3.421 -14.449 1.00 54.35 H new ATOM 0 HH22 ARG A 16 11.813 -4.731 -13.399 1.00 54.35 H new ATOM 264 N LYS A 17 8.443 2.223 -10.630 1.00 24.12 N ATOM 265 CA LYS A 17 8.024 3.631 -10.604 1.00 23.45 C ATOM 266 C LYS A 17 7.660 4.062 -9.175 1.00 30.21 C ATOM 267 O LYS A 17 8.122 5.095 -8.692 1.00 74.20 O ATOM 268 CB LYS A 17 6.824 3.863 -11.542 1.00 73.52 C ATOM 269 CG LYS A 17 7.183 3.972 -13.026 1.00 60.54 C ATOM 270 CD LYS A 17 7.855 2.712 -13.565 1.00 42.31 C ATOM 271 CE LYS A 17 8.168 2.831 -15.054 1.00 1.24 C ATOM 272 NZ LYS A 17 9.056 3.991 -15.346 1.00 35.04 N ATOM 0 H LYS A 17 7.834 1.614 -11.176 1.00 24.12 H new ATOM 0 HA LYS A 17 8.862 4.235 -10.952 1.00 23.45 H new ATOM 0 HB2 LYS A 17 6.116 3.044 -11.413 1.00 73.52 H new ATOM 0 HB3 LYS A 17 6.314 4.777 -11.238 1.00 73.52 H new ATOM 0 HG2 LYS A 17 6.278 4.170 -13.601 1.00 60.54 H new ATOM 0 HG3 LYS A 17 7.847 4.824 -13.173 1.00 60.54 H new ATOM 0 HD2 LYS A 17 8.777 2.527 -13.013 1.00 42.31 H new ATOM 0 HD3 LYS A 17 7.205 1.853 -13.397 1.00 42.31 H new ATOM 0 HE2 LYS A 17 8.645 1.913 -15.399 1.00 1.24 H new ATOM 0 HE3 LYS A 17 7.238 2.936 -15.613 1.00 1.24 H new ATOM 0 HZ1 LYS A 17 9.408 3.922 -16.322 1.00 35.04 H new ATOM 0 HZ2 LYS A 17 8.520 4.875 -15.233 1.00 35.04 H new ATOM 0 HZ3 LYS A 17 9.860 3.987 -14.687 1.00 35.04 H new ATOM 286 N PHE A 18 6.839 3.251 -8.505 1.00 64.41 N ATOM 287 CA PHE A 18 6.441 3.511 -7.113 1.00 21.01 C ATOM 288 C PHE A 18 7.665 3.632 -6.195 1.00 33.13 C ATOM 289 O PHE A 18 7.762 4.556 -5.388 1.00 53.32 O ATOM 290 CB PHE A 18 5.511 2.396 -6.598 1.00 74.53 C ATOM 291 CG PHE A 18 4.133 2.415 -7.213 1.00 5.13 C ATOM 292 CD1 PHE A 18 3.949 2.147 -8.563 1.00 21.21 C ATOM 293 CD2 PHE A 18 3.018 2.701 -6.438 1.00 33.32 C ATOM 294 CE1 PHE A 18 2.687 2.161 -9.123 1.00 13.43 C ATOM 295 CE2 PHE A 18 1.754 2.717 -6.994 1.00 45.50 C ATOM 296 CZ PHE A 18 1.589 2.448 -8.337 1.00 62.32 C ATOM 0 H PHE A 18 6.433 2.404 -8.903 1.00 64.41 H new ATOM 0 HA PHE A 18 5.905 4.460 -7.097 1.00 21.01 H new ATOM 0 HB2 PHE A 18 5.974 1.430 -6.798 1.00 74.53 H new ATOM 0 HB3 PHE A 18 5.416 2.487 -5.516 1.00 74.53 H new ATOM 0 HD1 PHE A 18 4.805 1.925 -9.183 1.00 21.21 H new ATOM 0 HD2 PHE A 18 3.140 2.914 -5.386 1.00 33.32 H new ATOM 0 HE1 PHE A 18 2.559 1.948 -10.174 1.00 13.43 H new ATOM 0 HE2 PHE A 18 0.895 2.940 -6.378 1.00 45.50 H new ATOM 0 HZ PHE A 18 0.601 2.462 -8.773 1.00 62.32 H new ATOM 306 N LYS A 19 8.602 2.692 -6.336 1.00 35.41 N ATOM 307 CA LYS A 19 9.835 2.705 -5.546 1.00 44.32 C ATOM 308 C LYS A 19 10.610 4.013 -5.764 1.00 21.01 C ATOM 309 O LYS A 19 11.069 4.642 -4.809 1.00 61.42 O ATOM 310 CB LYS A 19 10.724 1.504 -5.915 1.00 75.04 C ATOM 311 CG LYS A 19 10.017 0.151 -5.819 1.00 22.23 C ATOM 312 CD LYS A 19 10.953 -1.027 -6.120 1.00 35.15 C ATOM 313 CE LYS A 19 11.789 -1.442 -4.909 1.00 22.24 C ATOM 314 NZ LYS A 19 12.744 -0.389 -4.475 1.00 64.51 N ATOM 0 H LYS A 19 8.530 1.912 -6.990 1.00 35.41 H new ATOM 0 HA LYS A 19 9.561 2.634 -4.494 1.00 44.32 H new ATOM 0 HB2 LYS A 19 11.093 1.638 -6.932 1.00 75.04 H new ATOM 0 HB3 LYS A 19 11.594 1.495 -5.259 1.00 75.04 H new ATOM 0 HG2 LYS A 19 9.601 0.033 -4.819 1.00 22.23 H new ATOM 0 HG3 LYS A 19 9.180 0.132 -6.517 1.00 22.23 H new ATOM 0 HD2 LYS A 19 10.362 -1.878 -6.457 1.00 35.15 H new ATOM 0 HD3 LYS A 19 11.618 -0.757 -6.940 1.00 35.15 H new ATOM 0 HE2 LYS A 19 11.123 -1.685 -4.081 1.00 22.24 H new ATOM 0 HE3 LYS A 19 12.342 -2.350 -5.150 1.00 22.24 H new ATOM 0 HZ1 LYS A 19 13.549 -0.830 -3.987 1.00 64.51 H new ATOM 0 HZ2 LYS A 19 13.087 0.133 -5.307 1.00 64.51 H new ATOM 0 HZ3 LYS A 19 12.265 0.269 -3.827 1.00 64.51 H new ATOM 328 N ASP A 20 10.737 4.419 -7.027 1.00 3.54 N ATOM 329 CA ASP A 20 11.445 5.651 -7.380 1.00 4.02 C ATOM 330 C ASP A 20 10.744 6.895 -6.807 1.00 0.23 C ATOM 331 O ASP A 20 11.399 7.817 -6.326 1.00 4.15 O ATOM 332 CB ASP A 20 11.568 5.763 -8.902 1.00 75.12 C ATOM 333 CG ASP A 20 12.318 7.011 -9.332 1.00 72.44 C ATOM 334 OD1 ASP A 20 13.557 7.051 -9.168 1.00 20.25 O ATOM 335 OD2 ASP A 20 11.672 7.961 -9.823 1.00 24.14 O ATOM 0 H ASP A 20 10.358 3.911 -7.826 1.00 3.54 H new ATOM 0 HA ASP A 20 12.441 5.604 -6.939 1.00 4.02 H new ATOM 0 HB2 ASP A 20 12.082 4.883 -9.288 1.00 75.12 H new ATOM 0 HB3 ASP A 20 10.572 5.770 -9.345 1.00 75.12 H new ATOM 340 N ILE A 21 9.411 6.914 -6.860 1.00 74.31 N ATOM 341 CA ILE A 21 8.633 8.032 -6.311 1.00 34.04 C ATOM 342 C ILE A 21 8.870 8.180 -4.796 1.00 51.44 C ATOM 343 O ILE A 21 9.119 9.281 -4.297 1.00 24.44 O ATOM 344 CB ILE A 21 7.116 7.859 -6.592 1.00 1.35 C ATOM 345 CG1 ILE A 21 6.858 7.835 -8.111 1.00 12.03 C ATOM 346 CG2 ILE A 21 6.308 8.977 -5.925 1.00 31.23 C ATOM 347 CD1 ILE A 21 5.412 7.580 -8.492 1.00 14.31 C ATOM 0 H ILE A 21 8.847 6.172 -7.275 1.00 74.31 H new ATOM 0 HA ILE A 21 8.975 8.938 -6.811 1.00 34.04 H new ATOM 0 HB ILE A 21 6.791 6.909 -6.167 1.00 1.35 H new ATOM 0 HG12 ILE A 21 7.171 8.788 -8.537 1.00 12.03 H new ATOM 0 HG13 ILE A 21 7.482 7.064 -8.562 1.00 12.03 H new ATOM 0 HG21 ILE A 21 5.248 8.835 -6.136 1.00 31.23 H new ATOM 0 HG22 ILE A 21 6.471 8.950 -4.848 1.00 31.23 H new ATOM 0 HG23 ILE A 21 6.630 9.942 -6.317 1.00 31.23 H new ATOM 0 HD11 ILE A 21 5.317 7.579 -9.578 1.00 14.31 H new ATOM 0 HD12 ILE A 21 5.097 6.613 -8.099 1.00 14.31 H new ATOM 0 HD13 ILE A 21 4.782 8.364 -8.073 1.00 14.31 H new ATOM 359 N ILE A 22 8.809 7.060 -4.077 1.00 74.43 N ATOM 360 CA ILE A 22 9.092 7.046 -2.634 1.00 12.54 C ATOM 361 C ILE A 22 10.519 7.552 -2.349 1.00 74.10 C ATOM 362 O ILE A 22 10.737 8.378 -1.453 1.00 31.11 O ATOM 363 CB ILE A 22 8.914 5.622 -2.043 1.00 31.34 C ATOM 364 CG1 ILE A 22 7.468 5.136 -2.249 1.00 33.23 C ATOM 365 CG2 ILE A 22 9.287 5.596 -0.560 1.00 62.51 C ATOM 366 CD1 ILE A 22 7.220 3.726 -1.756 1.00 60.22 C ATOM 0 H ILE A 22 8.567 6.149 -4.466 1.00 74.43 H new ATOM 0 HA ILE A 22 8.377 7.715 -2.154 1.00 12.54 H new ATOM 0 HB ILE A 22 9.586 4.945 -2.570 1.00 31.34 H new ATOM 0 HG12 ILE A 22 6.789 5.816 -1.733 1.00 33.23 H new ATOM 0 HG13 ILE A 22 7.225 5.188 -3.310 1.00 33.23 H new ATOM 0 HG21 ILE A 22 9.154 4.587 -0.169 1.00 62.51 H new ATOM 0 HG22 ILE A 22 10.328 5.897 -0.441 1.00 62.51 H new ATOM 0 HG23 ILE A 22 8.645 6.285 -0.011 1.00 62.51 H new ATOM 0 HD11 ILE A 22 6.180 3.455 -1.936 1.00 60.22 H new ATOM 0 HD12 ILE A 22 7.872 3.034 -2.289 1.00 60.22 H new ATOM 0 HD13 ILE A 22 7.430 3.672 -0.688 1.00 60.22 H new ATOM 378 N LYS A 23 11.485 7.063 -3.130 1.00 40.45 N ATOM 379 CA LYS A 23 12.870 7.549 -3.053 1.00 44.33 C ATOM 380 C LYS A 23 12.931 9.062 -3.315 1.00 44.12 C ATOM 381 O LYS A 23 13.634 9.802 -2.623 1.00 1.22 O ATOM 382 CB LYS A 23 13.749 6.818 -4.079 1.00 11.14 C ATOM 383 CG LYS A 23 13.897 5.319 -3.829 1.00 74.35 C ATOM 384 CD LYS A 23 14.597 4.618 -4.996 1.00 55.10 C ATOM 385 CE LYS A 23 16.000 5.166 -5.236 1.00 50.35 C ATOM 386 NZ LYS A 23 16.628 4.578 -6.450 1.00 12.32 N ATOM 0 H LYS A 23 11.336 6.331 -3.824 1.00 40.45 H new ATOM 0 HA LYS A 23 13.243 7.348 -2.049 1.00 44.33 H new ATOM 0 HB2 LYS A 23 13.328 6.968 -5.073 1.00 11.14 H new ATOM 0 HB3 LYS A 23 14.739 7.273 -4.081 1.00 11.14 H new ATOM 0 HG2 LYS A 23 14.465 5.157 -2.913 1.00 74.35 H new ATOM 0 HG3 LYS A 23 12.913 4.876 -3.676 1.00 74.35 H new ATOM 0 HD2 LYS A 23 14.656 3.549 -4.793 1.00 55.10 H new ATOM 0 HD3 LYS A 23 14.001 4.739 -5.901 1.00 55.10 H new ATOM 0 HE2 LYS A 23 15.953 6.250 -5.341 1.00 50.35 H new ATOM 0 HE3 LYS A 23 16.624 4.957 -4.367 1.00 50.35 H new ATOM 0 HZ1 LYS A 23 17.580 4.977 -6.576 1.00 12.32 H new ATOM 0 HZ2 LYS A 23 16.697 3.546 -6.340 1.00 12.32 H new ATOM 0 HZ3 LYS A 23 16.046 4.799 -7.283 1.00 12.32 H new ATOM 400 N LYS A 24 12.164 9.507 -4.304 1.00 62.22 N ATOM 401 CA LYS A 24 12.130 10.915 -4.711 1.00 31.44 C ATOM 402 C LYS A 24 11.454 11.800 -3.643 1.00 44.44 C ATOM 403 O LYS A 24 11.587 13.024 -3.658 1.00 64.10 O ATOM 404 CB LYS A 24 11.399 11.019 -6.060 1.00 63.40 C ATOM 405 CG LYS A 24 11.463 12.394 -6.720 1.00 1.13 C ATOM 406 CD LYS A 24 10.940 12.352 -8.157 1.00 42.45 C ATOM 407 CE LYS A 24 11.754 11.396 -9.029 1.00 14.34 C ATOM 408 NZ LYS A 24 11.253 11.345 -10.428 1.00 71.42 N ATOM 0 H LYS A 24 11.547 8.905 -4.849 1.00 62.22 H new ATOM 0 HA LYS A 24 13.151 11.281 -4.817 1.00 31.44 H new ATOM 0 HB2 LYS A 24 11.822 10.283 -6.744 1.00 63.40 H new ATOM 0 HB3 LYS A 24 10.353 10.751 -5.912 1.00 63.40 H new ATOM 0 HG2 LYS A 24 10.876 13.105 -6.139 1.00 1.13 H new ATOM 0 HG3 LYS A 24 12.492 12.753 -6.717 1.00 1.13 H new ATOM 0 HD2 LYS A 24 9.895 12.042 -8.155 1.00 42.45 H new ATOM 0 HD3 LYS A 24 10.974 13.354 -8.586 1.00 42.45 H new ATOM 0 HE2 LYS A 24 12.798 11.709 -9.030 1.00 14.34 H new ATOM 0 HE3 LYS A 24 11.721 10.396 -8.597 1.00 14.34 H new ATOM 0 HZ1 LYS A 24 11.835 10.684 -10.981 1.00 71.42 H new ATOM 0 HZ2 LYS A 24 10.265 11.022 -10.431 1.00 71.42 H new ATOM 0 HZ3 LYS A 24 11.308 12.293 -10.851 1.00 71.42 H new ATOM 422 N ASN A 25 10.716 11.174 -2.723 1.00 32.13 N ATOM 423 CA ASN A 25 10.140 11.891 -1.573 1.00 3.31 C ATOM 424 C ASN A 25 11.081 11.835 -0.356 1.00 70.02 C ATOM 425 O ASN A 25 10.955 12.628 0.579 1.00 41.01 O ATOM 426 CB ASN A 25 8.760 11.322 -1.204 1.00 53.41 C ATOM 427 CG ASN A 25 7.680 11.676 -2.218 1.00 43.54 C ATOM 428 OD1 ASN A 25 6.534 11.918 -1.859 1.00 64.01 O ATOM 429 ND2 ASN A 25 8.022 11.701 -3.490 1.00 74.31 N ATOM 0 H ASN A 25 10.502 10.177 -2.748 1.00 32.13 H new ATOM 0 HA ASN A 25 10.017 12.934 -1.864 1.00 3.31 H new ATOM 0 HB2 ASN A 25 8.831 10.238 -1.120 1.00 53.41 H new ATOM 0 HB3 ASN A 25 8.468 11.699 -0.224 1.00 53.41 H new ATOM 0 HD21 ASN A 25 7.326 11.926 -4.201 1.00 74.31 H new ATOM 0 HD22 ASN A 25 8.983 11.496 -3.764 1.00 74.31 H new ATOM 436 N GLY A 26 12.025 10.895 -0.375 1.00 12.41 N ATOM 437 CA GLY A 26 13.018 10.797 0.692 1.00 1.53 C ATOM 438 C GLY A 26 12.695 9.737 1.741 1.00 22.41 C ATOM 439 O GLY A 26 13.097 9.860 2.900 1.00 10.14 O ATOM 0 H GLY A 26 12.123 10.196 -1.111 1.00 12.41 H new ATOM 0 HA2 GLY A 26 13.990 10.574 0.251 1.00 1.53 H new ATOM 0 HA3 GLY A 26 13.106 11.766 1.184 1.00 1.53 H new ATOM 443 N PHE A 27 11.975 8.691 1.340 1.00 1.44 N ATOM 444 CA PHE A 27 11.647 7.578 2.244 1.00 51.22 C ATOM 445 C PHE A 27 12.213 6.250 1.718 1.00 0.20 C ATOM 446 O PHE A 27 12.565 6.137 0.543 1.00 71.10 O ATOM 447 CB PHE A 27 10.126 7.467 2.429 1.00 55.10 C ATOM 448 CG PHE A 27 9.512 8.661 3.118 1.00 44.33 C ATOM 449 CD1 PHE A 27 9.173 9.798 2.397 1.00 15.14 C ATOM 450 CD2 PHE A 27 9.281 8.648 4.487 1.00 20.45 C ATOM 451 CE1 PHE A 27 8.617 10.894 3.027 1.00 22.44 C ATOM 452 CE2 PHE A 27 8.724 9.743 5.120 1.00 21.43 C ATOM 453 CZ PHE A 27 8.393 10.867 4.389 1.00 71.40 C ATOM 0 H PHE A 27 11.605 8.586 0.395 1.00 1.44 H new ATOM 0 HA PHE A 27 12.107 7.786 3.210 1.00 51.22 H new ATOM 0 HB2 PHE A 27 9.658 7.341 1.453 1.00 55.10 H new ATOM 0 HB3 PHE A 27 9.903 6.570 3.007 1.00 55.10 H new ATOM 0 HD1 PHE A 27 9.346 9.826 1.331 1.00 15.14 H new ATOM 0 HD2 PHE A 27 9.540 7.772 5.064 1.00 20.45 H new ATOM 0 HE1 PHE A 27 8.357 11.772 2.454 1.00 22.44 H new ATOM 0 HE2 PHE A 27 8.548 9.720 6.185 1.00 21.43 H new ATOM 0 HZ PHE A 27 7.959 11.724 4.882 1.00 71.40 H new ATOM 463 N LYS A 28 12.305 5.250 2.591 1.00 3.31 N ATOM 464 CA LYS A 28 12.829 3.932 2.205 1.00 4.21 C ATOM 465 C LYS A 28 11.696 3.041 1.669 1.00 33.01 C ATOM 466 O LYS A 28 10.542 3.195 2.064 1.00 22.21 O ATOM 467 CB LYS A 28 13.517 3.260 3.407 1.00 32.35 C ATOM 468 CG LYS A 28 14.395 4.205 4.230 1.00 10.24 C ATOM 469 CD LYS A 28 15.500 4.859 3.400 1.00 40.02 C ATOM 470 CE LYS A 28 16.568 3.862 2.963 1.00 14.32 C ATOM 471 NZ LYS A 28 17.701 4.535 2.270 1.00 71.32 N ATOM 0 H LYS A 28 12.026 5.322 3.569 1.00 3.31 H new ATOM 0 HA LYS A 28 13.566 4.068 1.413 1.00 4.21 H new ATOM 0 HB2 LYS A 28 12.754 2.832 4.057 1.00 32.35 H new ATOM 0 HB3 LYS A 28 14.129 2.433 3.047 1.00 32.35 H new ATOM 0 HG2 LYS A 28 13.771 4.982 4.672 1.00 10.24 H new ATOM 0 HG3 LYS A 28 14.845 3.651 5.054 1.00 10.24 H new ATOM 0 HD2 LYS A 28 15.060 5.326 2.518 1.00 40.02 H new ATOM 0 HD3 LYS A 28 15.966 5.654 3.983 1.00 40.02 H new ATOM 0 HE2 LYS A 28 16.942 3.325 3.834 1.00 14.32 H new ATOM 0 HE3 LYS A 28 16.124 3.121 2.298 1.00 14.32 H new ATOM 0 HZ1 LYS A 28 18.407 3.825 1.988 1.00 71.32 H new ATOM 0 HZ2 LYS A 28 17.348 5.027 1.424 1.00 71.32 H new ATOM 0 HZ3 LYS A 28 18.141 5.224 2.913 1.00 71.32 H new ATOM 485 N VAL A 29 12.022 2.110 0.775 1.00 75.13 N ATOM 486 CA VAL A 29 10.997 1.277 0.124 1.00 22.33 C ATOM 487 C VAL A 29 11.034 -0.185 0.609 1.00 44.12 C ATOM 488 O VAL A 29 12.015 -0.896 0.390 1.00 34.10 O ATOM 489 CB VAL A 29 11.158 1.299 -1.419 1.00 14.32 C ATOM 490 CG1 VAL A 29 10.005 0.556 -2.093 1.00 52.43 C ATOM 491 CG2 VAL A 29 11.261 2.735 -1.936 1.00 2.50 C ATOM 0 H VAL A 29 12.978 1.910 0.482 1.00 75.13 H new ATOM 0 HA VAL A 29 10.035 1.708 0.401 1.00 22.33 H new ATOM 0 HB VAL A 29 12.085 0.785 -1.672 1.00 14.32 H new ATOM 0 HG11 VAL A 29 10.137 0.583 -3.175 1.00 52.43 H new ATOM 0 HG12 VAL A 29 9.993 -0.480 -1.755 1.00 52.43 H new ATOM 0 HG13 VAL A 29 9.061 1.034 -1.831 1.00 52.43 H new ATOM 0 HG21 VAL A 29 11.373 2.724 -3.020 1.00 2.50 H new ATOM 0 HG22 VAL A 29 10.357 3.283 -1.670 1.00 2.50 H new ATOM 0 HG23 VAL A 29 12.126 3.222 -1.487 1.00 2.50 H new ATOM 501 N ARG A 30 9.954 -0.624 1.259 1.00 54.12 N ATOM 502 CA ARG A 30 9.809 -2.020 1.699 1.00 61.34 C ATOM 503 C ARG A 30 8.806 -2.773 0.811 1.00 41.43 C ATOM 504 O ARG A 30 7.601 -2.574 0.921 1.00 11.51 O ATOM 505 CB ARG A 30 9.345 -2.058 3.164 1.00 1.14 C ATOM 506 CG ARG A 30 9.043 -3.455 3.706 1.00 31.34 C ATOM 507 CD ARG A 30 10.259 -4.378 3.645 1.00 74.51 C ATOM 508 NE ARG A 30 10.019 -5.637 4.350 1.00 31.53 N ATOM 509 CZ ARG A 30 10.714 -6.731 4.175 1.00 50.52 C ATOM 510 NH1 ARG A 30 11.614 -6.807 3.250 1.00 41.22 N ATOM 511 NH2 ARG A 30 10.476 -7.768 4.911 1.00 15.40 N ATOM 0 H ARG A 30 9.159 -0.030 1.495 1.00 54.12 H new ATOM 0 HA ARG A 30 10.778 -2.512 1.613 1.00 61.34 H new ATOM 0 HB2 ARG A 30 10.115 -1.601 3.786 1.00 1.14 H new ATOM 0 HB3 ARG A 30 8.450 -1.444 3.263 1.00 1.14 H new ATOM 0 HG2 ARG A 30 8.702 -3.376 4.738 1.00 31.34 H new ATOM 0 HG3 ARG A 30 8.227 -3.895 3.133 1.00 31.34 H new ATOM 0 HD2 ARG A 30 10.506 -4.585 2.604 1.00 74.51 H new ATOM 0 HD3 ARG A 30 11.121 -3.874 4.083 1.00 74.51 H new ATOM 0 HE ARG A 30 9.256 -5.664 5.026 1.00 31.53 H new ATOM 0 HH11 ARG A 30 11.791 -6.006 2.643 1.00 41.22 H new ATOM 0 HH12 ARG A 30 12.147 -7.668 3.127 1.00 41.22 H new ATOM 0 HH21 ARG A 30 9.748 -7.731 5.625 1.00 15.40 H new ATOM 0 HH22 ARG A 30 11.016 -8.623 4.777 1.00 15.40 H new ATOM 525 N THR A 31 9.307 -3.633 -0.068 1.00 64.31 N ATOM 526 CA THR A 31 8.444 -4.385 -0.990 1.00 51.23 C ATOM 527 C THR A 31 7.990 -5.726 -0.394 1.00 73.22 C ATOM 528 O THR A 31 8.803 -6.507 0.107 1.00 41.23 O ATOM 529 CB THR A 31 9.150 -4.650 -2.340 1.00 4.23 C ATOM 530 OG1 THR A 31 10.427 -5.270 -2.118 1.00 35.13 O ATOM 531 CG2 THR A 31 9.341 -3.352 -3.118 1.00 61.12 C ATOM 0 H THR A 31 10.303 -3.831 -0.167 1.00 64.31 H new ATOM 0 HA THR A 31 7.567 -3.760 -1.157 1.00 51.23 H new ATOM 0 HB THR A 31 8.519 -5.319 -2.926 1.00 4.23 H new ATOM 0 HG1 THR A 31 10.336 -5.974 -1.443 1.00 35.13 H new ATOM 0 HG21 THR A 31 9.840 -3.565 -4.064 1.00 61.12 H new ATOM 0 HG22 THR A 31 8.369 -2.899 -3.314 1.00 61.12 H new ATOM 0 HG23 THR A 31 9.951 -2.664 -2.533 1.00 61.12 H new ATOM 539 N VAL A 32 6.684 -5.982 -0.452 1.00 72.35 N ATOM 540 CA VAL A 32 6.100 -7.223 0.067 1.00 42.44 C ATOM 541 C VAL A 32 5.427 -8.040 -1.050 1.00 10.10 C ATOM 542 O VAL A 32 4.740 -7.488 -1.912 1.00 72.41 O ATOM 543 CB VAL A 32 5.057 -6.924 1.178 1.00 63.31 C ATOM 544 CG1 VAL A 32 4.419 -8.211 1.699 1.00 1.02 C ATOM 545 CG2 VAL A 32 5.693 -6.132 2.320 1.00 2.40 C ATOM 0 H VAL A 32 6.002 -5.341 -0.857 1.00 72.35 H new ATOM 0 HA VAL A 32 6.918 -7.808 0.487 1.00 42.44 H new ATOM 0 HB VAL A 32 4.267 -6.315 0.739 1.00 63.31 H new ATOM 0 HG11 VAL A 32 3.693 -7.969 2.476 1.00 1.02 H new ATOM 0 HG12 VAL A 32 3.916 -8.725 0.880 1.00 1.02 H new ATOM 0 HG13 VAL A 32 5.192 -8.858 2.114 1.00 1.02 H new ATOM 0 HG21 VAL A 32 4.944 -5.934 3.087 1.00 2.40 H new ATOM 0 HG22 VAL A 32 6.511 -6.709 2.752 1.00 2.40 H new ATOM 0 HG23 VAL A 32 6.079 -5.187 1.937 1.00 2.40 H new ATOM 555 N ARG A 33 5.647 -9.352 -1.035 1.00 4.31 N ATOM 556 CA ARG A 33 4.981 -10.277 -1.965 1.00 62.34 C ATOM 557 C ARG A 33 4.314 -11.420 -1.184 1.00 40.33 C ATOM 558 O ARG A 33 3.198 -11.847 -1.494 1.00 11.52 O ATOM 559 CB ARG A 33 6.005 -10.836 -2.969 1.00 54.44 C ATOM 560 CG ARG A 33 5.411 -11.778 -4.016 1.00 73.24 C ATOM 561 CD ARG A 33 4.378 -11.081 -4.897 1.00 5.03 C ATOM 562 NE ARG A 33 3.827 -11.975 -5.915 1.00 71.12 N ATOM 563 CZ ARG A 33 2.782 -11.694 -6.646 1.00 12.23 C ATOM 564 NH1 ARG A 33 2.152 -10.572 -6.484 1.00 62.24 N ATOM 565 NH2 ARG A 33 2.365 -12.546 -7.530 1.00 71.02 N ATOM 0 H ARG A 33 6.287 -9.808 -0.384 1.00 4.31 H new ATOM 0 HA ARG A 33 4.210 -9.738 -2.515 1.00 62.34 H new ATOM 0 HB2 ARG A 33 6.488 -10.003 -3.479 1.00 54.44 H new ATOM 0 HB3 ARG A 33 6.782 -11.367 -2.419 1.00 54.44 H new ATOM 0 HG2 ARG A 33 6.211 -12.175 -4.641 1.00 73.24 H new ATOM 0 HG3 ARG A 33 4.946 -12.628 -3.516 1.00 73.24 H new ATOM 0 HD2 ARG A 33 3.569 -10.700 -4.274 1.00 5.03 H new ATOM 0 HD3 ARG A 33 4.838 -10.220 -5.382 1.00 5.03 H new ATOM 0 HE ARG A 33 4.287 -12.873 -6.063 1.00 71.12 H new ATOM 0 HH11 ARG A 33 2.472 -9.904 -5.783 1.00 62.24 H new ATOM 0 HH12 ARG A 33 1.336 -10.358 -7.058 1.00 62.24 H new ATOM 0 HH21 ARG A 33 2.853 -13.433 -7.653 1.00 71.02 H new ATOM 0 HH22 ARG A 33 1.549 -12.329 -8.102 1.00 71.02 H new ATOM 579 N SER A 34 5.019 -11.898 -0.164 1.00 20.44 N ATOM 580 CA SER A 34 4.528 -12.954 0.729 1.00 3.13 C ATOM 581 C SER A 34 4.250 -12.385 2.131 1.00 54.53 C ATOM 582 O SER A 34 4.789 -11.336 2.496 1.00 75.01 O ATOM 583 CB SER A 34 5.570 -14.082 0.825 1.00 20.34 C ATOM 584 OG SER A 34 5.824 -14.667 -0.446 1.00 54.21 O ATOM 0 H SER A 34 5.954 -11.565 0.072 1.00 20.44 H new ATOM 0 HA SER A 34 3.599 -13.352 0.321 1.00 3.13 H new ATOM 0 HB2 SER A 34 6.499 -13.687 1.237 1.00 20.34 H new ATOM 0 HB3 SER A 34 5.216 -14.848 1.515 1.00 20.34 H new ATOM 0 HG SER A 34 6.491 -15.379 -0.351 1.00 54.21 H new ATOM 590 N PRO A 35 3.414 -13.066 2.947 1.00 54.00 N ATOM 591 CA PRO A 35 3.077 -12.598 4.308 1.00 4.11 C ATOM 592 C PRO A 35 4.318 -12.376 5.194 1.00 1.14 C ATOM 593 O PRO A 35 4.316 -11.520 6.085 1.00 32.01 O ATOM 594 CB PRO A 35 2.193 -13.726 4.877 1.00 10.21 C ATOM 595 CG PRO A 35 2.426 -14.901 3.982 1.00 32.41 C ATOM 596 CD PRO A 35 2.731 -14.332 2.624 1.00 62.41 C ATOM 0 HA PRO A 35 2.583 -11.627 4.283 1.00 4.11 H new ATOM 0 HB2 PRO A 35 2.465 -13.957 5.907 1.00 10.21 H new ATOM 0 HB3 PRO A 35 1.142 -13.437 4.881 1.00 10.21 H new ATOM 0 HG2 PRO A 35 3.254 -15.510 4.345 1.00 32.41 H new ATOM 0 HG3 PRO A 35 1.548 -15.545 3.947 1.00 32.41 H new ATOM 0 HD2 PRO A 35 3.367 -14.997 2.040 1.00 62.41 H new ATOM 0 HD3 PRO A 35 1.824 -14.166 2.042 1.00 62.41 H new ATOM 604 N GLN A 36 5.379 -13.146 4.939 1.00 60.04 N ATOM 605 CA GLN A 36 6.631 -13.027 5.698 1.00 41.12 C ATOM 606 C GLN A 36 7.230 -11.611 5.596 1.00 30.55 C ATOM 607 O GLN A 36 7.588 -11.017 6.609 1.00 24.13 O ATOM 608 CB GLN A 36 7.655 -14.069 5.215 1.00 43.52 C ATOM 609 CG GLN A 36 8.975 -14.054 5.987 1.00 53.41 C ATOM 610 CD GLN A 36 8.808 -14.371 7.467 1.00 71.32 C ATOM 611 OE1 GLN A 36 7.910 -15.109 7.865 1.00 24.04 O ATOM 612 NE2 GLN A 36 9.676 -13.819 8.293 1.00 20.42 N ATOM 0 H GLN A 36 5.398 -13.861 4.211 1.00 60.04 H new ATOM 0 HA GLN A 36 6.395 -13.215 6.745 1.00 41.12 H new ATOM 0 HB2 GLN A 36 7.212 -15.062 5.294 1.00 43.52 H new ATOM 0 HB3 GLN A 36 7.862 -13.896 4.159 1.00 43.52 H new ATOM 0 HG2 GLN A 36 9.657 -14.778 5.542 1.00 53.41 H new ATOM 0 HG3 GLN A 36 9.439 -13.073 5.882 1.00 53.41 H new ATOM 0 HE21 GLN A 36 10.410 -13.211 7.930 1.00 20.42 H new ATOM 0 HE22 GLN A 36 9.613 -14.000 9.295 1.00 20.42 H new ATOM 621 N GLU A 37 7.333 -11.068 4.377 1.00 4.34 N ATOM 622 CA GLU A 37 7.886 -9.715 4.185 1.00 25.43 C ATOM 623 C GLU A 37 7.127 -8.669 5.011 1.00 51.24 C ATOM 624 O GLU A 37 7.739 -7.799 5.634 1.00 63.43 O ATOM 625 CB GLU A 37 7.876 -9.293 2.704 1.00 64.23 C ATOM 626 CG GLU A 37 8.834 -10.078 1.808 1.00 42.24 C ATOM 627 CD GLU A 37 8.296 -11.439 1.400 1.00 31.31 C ATOM 628 OE1 GLU A 37 8.408 -12.397 2.192 1.00 22.43 O ATOM 629 OE2 GLU A 37 7.764 -11.554 0.278 1.00 71.21 O ATOM 0 H GLU A 37 7.046 -11.535 3.517 1.00 4.34 H new ATOM 0 HA GLU A 37 8.919 -9.760 4.530 1.00 25.43 H new ATOM 0 HB2 GLU A 37 6.864 -9.405 2.316 1.00 64.23 H new ATOM 0 HB3 GLU A 37 8.127 -8.234 2.641 1.00 64.23 H new ATOM 0 HG2 GLU A 37 9.043 -9.494 0.912 1.00 42.24 H new ATOM 0 HG3 GLU A 37 9.782 -10.211 2.330 1.00 42.24 H new ATOM 636 N LEU A 38 5.798 -8.761 5.011 1.00 23.14 N ATOM 637 CA LEU A 38 4.952 -7.825 5.761 1.00 42.00 C ATOM 638 C LEU A 38 5.201 -7.933 7.275 1.00 12.45 C ATOM 639 O LEU A 38 5.440 -6.931 7.951 1.00 20.31 O ATOM 640 CB LEU A 38 3.469 -8.085 5.448 1.00 21.44 C ATOM 641 CG LEU A 38 2.473 -7.123 6.123 1.00 51.41 C ATOM 642 CD1 LEU A 38 2.721 -5.682 5.678 1.00 14.30 C ATOM 643 CD2 LEU A 38 1.032 -7.540 5.828 1.00 35.20 C ATOM 0 H LEU A 38 5.280 -9.475 4.499 1.00 23.14 H new ATOM 0 HA LEU A 38 5.213 -6.813 5.450 1.00 42.00 H new ATOM 0 HB2 LEU A 38 3.328 -8.029 4.369 1.00 21.44 H new ATOM 0 HB3 LEU A 38 3.225 -9.104 5.749 1.00 21.44 H new ATOM 0 HG LEU A 38 2.629 -7.176 7.200 1.00 51.41 H new ATOM 0 HD11 LEU A 38 2.005 -5.022 6.168 1.00 14.30 H new ATOM 0 HD12 LEU A 38 3.734 -5.386 5.951 1.00 14.30 H new ATOM 0 HD13 LEU A 38 2.601 -5.609 4.597 1.00 14.30 H new ATOM 0 HD21 LEU A 38 0.346 -6.847 6.314 1.00 35.20 H new ATOM 0 HD22 LEU A 38 0.862 -7.524 4.752 1.00 35.20 H new ATOM 0 HD23 LEU A 38 0.860 -8.547 6.207 1.00 35.20 H new ATOM 655 N LYS A 39 5.151 -9.156 7.799 1.00 51.05 N ATOM 656 CA LYS A 39 5.372 -9.399 9.228 1.00 4.11 C ATOM 657 C LYS A 39 6.807 -9.025 9.640 1.00 2.10 C ATOM 658 O LYS A 39 7.012 -8.208 10.539 1.00 55.31 O ATOM 659 CB LYS A 39 5.086 -10.868 9.560 1.00 15.10 C ATOM 660 CG LYS A 39 5.198 -11.200 11.045 1.00 20.02 C ATOM 661 CD LYS A 39 4.778 -12.638 11.335 1.00 23.23 C ATOM 662 CE LYS A 39 4.772 -12.936 12.829 1.00 2.12 C ATOM 663 NZ LYS A 39 4.282 -14.309 13.115 1.00 50.13 N ATOM 0 H LYS A 39 4.959 -9.998 7.256 1.00 51.05 H new ATOM 0 HA LYS A 39 4.687 -8.766 9.792 1.00 4.11 H new ATOM 0 HB2 LYS A 39 4.083 -11.119 9.216 1.00 15.10 H new ATOM 0 HB3 LYS A 39 5.780 -11.498 9.004 1.00 15.10 H new ATOM 0 HG2 LYS A 39 6.225 -11.047 11.376 1.00 20.02 H new ATOM 0 HG3 LYS A 39 4.573 -10.516 11.619 1.00 20.02 H new ATOM 0 HD2 LYS A 39 3.784 -12.816 10.925 1.00 23.23 H new ATOM 0 HD3 LYS A 39 5.458 -13.324 10.830 1.00 23.23 H new ATOM 0 HE2 LYS A 39 5.780 -12.819 13.227 1.00 2.12 H new ATOM 0 HE3 LYS A 39 4.141 -12.210 13.342 1.00 2.12 H new ATOM 0 HZ1 LYS A 39 4.292 -14.474 14.142 1.00 50.13 H new ATOM 0 HZ2 LYS A 39 3.311 -14.413 12.757 1.00 50.13 H new ATOM 0 HZ3 LYS A 39 4.899 -15.003 12.646 1.00 50.13 H new ATOM 677 N ASP A 40 7.790 -9.618 8.962 1.00 41.15 N ATOM 678 CA ASP A 40 9.209 -9.316 9.196 1.00 41.21 C ATOM 679 C ASP A 40 9.490 -7.806 9.091 1.00 53.51 C ATOM 680 O ASP A 40 10.348 -7.270 9.796 1.00 53.11 O ATOM 681 CB ASP A 40 10.071 -10.099 8.195 1.00 40.30 C ATOM 682 CG ASP A 40 11.549 -9.760 8.287 1.00 23.43 C ATOM 683 OD1 ASP A 40 12.206 -10.188 9.259 1.00 64.31 O ATOM 684 OD2 ASP A 40 12.061 -9.065 7.384 1.00 11.24 O ATOM 0 H ASP A 40 7.630 -10.318 8.238 1.00 41.15 H new ATOM 0 HA ASP A 40 9.465 -9.622 10.210 1.00 41.21 H new ATOM 0 HB2 ASP A 40 9.938 -11.167 8.368 1.00 40.30 H new ATOM 0 HB3 ASP A 40 9.720 -9.894 7.184 1.00 40.30 H new ATOM 689 N SER A 41 8.757 -7.125 8.208 1.00 75.02 N ATOM 690 CA SER A 41 8.855 -5.665 8.088 1.00 24.33 C ATOM 691 C SER A 41 8.530 -4.997 9.425 1.00 32.22 C ATOM 692 O SER A 41 9.321 -4.219 9.948 1.00 71.02 O ATOM 693 CB SER A 41 7.896 -5.143 7.009 1.00 63.23 C ATOM 694 OG SER A 41 8.029 -3.744 6.829 1.00 11.44 O ATOM 0 H SER A 41 8.091 -7.557 7.567 1.00 75.02 H new ATOM 0 HA SER A 41 9.878 -5.419 7.802 1.00 24.33 H new ATOM 0 HB2 SER A 41 8.095 -5.653 6.066 1.00 63.23 H new ATOM 0 HB3 SER A 41 6.869 -5.379 7.288 1.00 63.23 H new ATOM 0 HG SER A 41 7.224 -3.392 6.394 1.00 11.44 H new ATOM 700 N ILE A 42 7.370 -5.335 9.983 1.00 72.23 N ATOM 701 CA ILE A 42 6.932 -4.784 11.271 1.00 54.30 C ATOM 702 C ILE A 42 7.937 -5.107 12.391 1.00 52.43 C ATOM 703 O ILE A 42 8.248 -4.257 13.227 1.00 20.23 O ATOM 704 CB ILE A 42 5.540 -5.337 11.662 1.00 73.11 C ATOM 705 CG1 ILE A 42 4.531 -5.077 10.533 1.00 54.01 C ATOM 706 CG2 ILE A 42 5.055 -4.715 12.974 1.00 23.35 C ATOM 707 CD1 ILE A 42 3.170 -5.702 10.763 1.00 44.25 C ATOM 0 H ILE A 42 6.711 -5.991 9.564 1.00 72.23 H new ATOM 0 HA ILE A 42 6.872 -3.702 11.153 1.00 54.30 H new ATOM 0 HB ILE A 42 5.626 -6.413 11.812 1.00 73.11 H new ATOM 0 HG12 ILE A 42 4.409 -4.001 10.410 1.00 54.01 H new ATOM 0 HG13 ILE A 42 4.941 -5.460 9.598 1.00 54.01 H new ATOM 0 HG21 ILE A 42 4.075 -5.119 13.228 1.00 23.35 H new ATOM 0 HG22 ILE A 42 5.761 -4.949 13.771 1.00 23.35 H new ATOM 0 HG23 ILE A 42 4.983 -3.633 12.859 1.00 23.35 H new ATOM 0 HD11 ILE A 42 2.517 -5.472 9.921 1.00 44.25 H new ATOM 0 HD12 ILE A 42 3.277 -6.783 10.855 1.00 44.25 H new ATOM 0 HD13 ILE A 42 2.736 -5.301 11.679 1.00 44.25 H new ATOM 719 N GLU A 43 8.443 -6.344 12.389 1.00 53.52 N ATOM 720 CA GLU A 43 9.430 -6.791 13.382 1.00 74.32 C ATOM 721 C GLU A 43 10.671 -5.885 13.399 1.00 34.22 C ATOM 722 O GLU A 43 11.282 -5.661 14.448 1.00 52.03 O ATOM 723 CB GLU A 43 9.854 -8.240 13.095 1.00 20.33 C ATOM 724 CG GLU A 43 8.698 -9.235 13.046 1.00 12.14 C ATOM 725 CD GLU A 43 7.885 -9.259 14.330 1.00 11.34 C ATOM 726 OE1 GLU A 43 8.364 -9.825 15.332 1.00 5.33 O ATOM 727 OE2 GLU A 43 6.762 -8.710 14.349 1.00 61.45 O ATOM 0 H GLU A 43 8.185 -7.058 11.708 1.00 53.52 H new ATOM 0 HA GLU A 43 8.956 -6.734 14.362 1.00 74.32 H new ATOM 0 HB2 GLU A 43 10.384 -8.269 12.143 1.00 20.33 H new ATOM 0 HB3 GLU A 43 10.560 -8.558 13.862 1.00 20.33 H new ATOM 0 HG2 GLU A 43 8.043 -8.983 12.212 1.00 12.14 H new ATOM 0 HG3 GLU A 43 9.092 -10.233 12.852 1.00 12.14 H new ATOM 734 N GLU A 44 11.041 -5.372 12.229 1.00 31.20 N ATOM 735 CA GLU A 44 12.189 -4.470 12.104 1.00 63.20 C ATOM 736 C GLU A 44 11.790 -3.004 12.350 1.00 20.45 C ATOM 737 O GLU A 44 12.411 -2.317 13.159 1.00 22.41 O ATOM 738 CB GLU A 44 12.822 -4.614 10.712 1.00 2.41 C ATOM 739 CG GLU A 44 13.334 -6.021 10.404 1.00 33.45 C ATOM 740 CD GLU A 44 14.482 -6.450 11.306 1.00 0.34 C ATOM 741 OE1 GLU A 44 14.222 -7.017 12.392 1.00 72.32 O ATOM 742 OE2 GLU A 44 15.653 -6.232 10.933 1.00 32.24 O ATOM 0 H GLU A 44 10.562 -5.565 11.349 1.00 31.20 H new ATOM 0 HA GLU A 44 12.916 -4.750 12.866 1.00 63.20 H new ATOM 0 HB2 GLU A 44 12.086 -4.333 9.959 1.00 2.41 H new ATOM 0 HB3 GLU A 44 13.650 -3.910 10.626 1.00 2.41 H new ATOM 0 HG2 GLU A 44 12.513 -6.731 10.508 1.00 33.45 H new ATOM 0 HG3 GLU A 44 13.661 -6.063 9.365 1.00 33.45 H new ATOM 749 N LEU A 45 10.740 -2.542 11.664 1.00 0.11 N ATOM 750 CA LEU A 45 10.296 -1.137 11.740 1.00 24.44 C ATOM 751 C LEU A 45 10.046 -0.671 13.186 1.00 10.14 C ATOM 752 O LEU A 45 10.335 0.474 13.539 1.00 41.01 O ATOM 753 CB LEU A 45 9.021 -0.929 10.905 1.00 21.41 C ATOM 754 CG LEU A 45 9.159 -1.201 9.396 1.00 53.33 C ATOM 755 CD1 LEU A 45 7.835 -0.950 8.676 1.00 40.52 C ATOM 756 CD2 LEU A 45 10.274 -0.351 8.789 1.00 10.34 C ATOM 0 H LEU A 45 10.175 -3.122 11.044 1.00 0.11 H new ATOM 0 HA LEU A 45 11.107 -0.532 11.335 1.00 24.44 H new ATOM 0 HB2 LEU A 45 8.239 -1.576 11.302 1.00 21.41 H new ATOM 0 HB3 LEU A 45 8.684 0.098 11.041 1.00 21.41 H new ATOM 0 HG LEU A 45 9.424 -2.250 9.265 1.00 53.33 H new ATOM 0 HD11 LEU A 45 7.957 -1.149 7.611 1.00 40.52 H new ATOM 0 HD12 LEU A 45 7.069 -1.610 9.083 1.00 40.52 H new ATOM 0 HD13 LEU A 45 7.534 0.088 8.820 1.00 40.52 H new ATOM 0 HD21 LEU A 45 10.352 -0.561 7.722 1.00 10.34 H new ATOM 0 HD22 LEU A 45 10.047 0.705 8.935 1.00 10.34 H new ATOM 0 HD23 LEU A 45 11.220 -0.590 9.276 1.00 10.34 H new ATOM 768 N VAL A 46 9.508 -1.556 14.024 1.00 33.33 N ATOM 769 CA VAL A 46 9.248 -1.219 15.431 1.00 71.44 C ATOM 770 C VAL A 46 10.553 -0.860 16.176 1.00 62.24 C ATOM 771 O VAL A 46 10.549 -0.065 17.119 1.00 53.04 O ATOM 772 CB VAL A 46 8.519 -2.380 16.163 1.00 42.14 C ATOM 773 CG1 VAL A 46 9.378 -3.642 16.196 1.00 74.34 C ATOM 774 CG2 VAL A 46 8.107 -1.964 17.576 1.00 41.33 C ATOM 0 H VAL A 46 9.244 -2.505 13.760 1.00 33.33 H new ATOM 0 HA VAL A 46 8.598 -0.344 15.436 1.00 71.44 H new ATOM 0 HB VAL A 46 7.614 -2.609 15.600 1.00 42.14 H new ATOM 0 HG11 VAL A 46 8.840 -4.435 16.715 1.00 74.34 H new ATOM 0 HG12 VAL A 46 9.598 -3.959 15.177 1.00 74.34 H new ATOM 0 HG13 VAL A 46 10.311 -3.434 16.720 1.00 74.34 H new ATOM 0 HG21 VAL A 46 7.599 -2.794 18.066 1.00 41.33 H new ATOM 0 HG22 VAL A 46 8.994 -1.692 18.148 1.00 41.33 H new ATOM 0 HG23 VAL A 46 7.434 -1.108 17.522 1.00 41.33 H new ATOM 784 N LYS A 47 11.670 -1.424 15.722 1.00 70.34 N ATOM 785 CA LYS A 47 12.976 -1.205 16.360 1.00 24.04 C ATOM 786 C LYS A 47 13.821 -0.158 15.613 1.00 31.23 C ATOM 787 O LYS A 47 14.481 0.683 16.233 1.00 51.31 O ATOM 788 CB LYS A 47 13.752 -2.530 16.421 1.00 54.54 C ATOM 789 CG LYS A 47 13.041 -3.636 17.193 1.00 73.00 C ATOM 790 CD LYS A 47 12.885 -3.290 18.674 1.00 52.14 C ATOM 791 CE LYS A 47 12.115 -4.369 19.428 1.00 54.11 C ATOM 792 NZ LYS A 47 12.080 -4.113 20.892 1.00 2.43 N ATOM 0 H LYS A 47 11.701 -2.041 14.910 1.00 70.34 H new ATOM 0 HA LYS A 47 12.787 -0.827 17.365 1.00 24.04 H new ATOM 0 HB2 LYS A 47 13.940 -2.875 15.404 1.00 54.54 H new ATOM 0 HB3 LYS A 47 14.723 -2.348 16.881 1.00 54.54 H new ATOM 0 HG2 LYS A 47 12.058 -3.809 16.755 1.00 73.00 H new ATOM 0 HG3 LYS A 47 13.602 -4.565 17.095 1.00 73.00 H new ATOM 0 HD2 LYS A 47 13.870 -3.164 19.124 1.00 52.14 H new ATOM 0 HD3 LYS A 47 12.366 -2.337 18.772 1.00 52.14 H new ATOM 0 HE2 LYS A 47 11.096 -4.421 19.045 1.00 54.11 H new ATOM 0 HE3 LYS A 47 12.575 -5.339 19.241 1.00 54.11 H new ATOM 0 HZ1 LYS A 47 11.547 -4.871 21.364 1.00 2.43 H new ATOM 0 HZ2 LYS A 47 13.051 -4.089 21.264 1.00 2.43 H new ATOM 0 HZ3 LYS A 47 11.618 -3.199 21.074 1.00 2.43 H new ATOM 806 N LYS A 48 13.792 -0.212 14.283 1.00 60.22 N ATOM 807 CA LYS A 48 14.695 0.584 13.443 1.00 42.55 C ATOM 808 C LYS A 48 14.095 0.804 12.037 1.00 62.22 C ATOM 809 O LYS A 48 13.172 0.099 11.638 1.00 10.02 O ATOM 810 CB LYS A 48 16.043 -0.156 13.346 1.00 15.44 C ATOM 811 CG LYS A 48 17.158 0.609 12.635 1.00 54.03 C ATOM 812 CD LYS A 48 18.458 -0.196 12.617 1.00 31.33 C ATOM 813 CE LYS A 48 19.582 0.539 11.897 1.00 75.14 C ATOM 814 NZ LYS A 48 19.967 1.799 12.587 1.00 70.40 N ATOM 0 H LYS A 48 13.148 -0.803 13.757 1.00 60.22 H new ATOM 0 HA LYS A 48 14.839 1.567 13.891 1.00 42.55 H new ATOM 0 HB2 LYS A 48 16.378 -0.400 14.354 1.00 15.44 H new ATOM 0 HB3 LYS A 48 15.884 -1.100 12.826 1.00 15.44 H new ATOM 0 HG2 LYS A 48 16.853 0.835 11.613 1.00 54.03 H new ATOM 0 HG3 LYS A 48 17.325 1.563 13.136 1.00 54.03 H new ATOM 0 HD2 LYS A 48 18.764 -0.411 13.641 1.00 31.33 H new ATOM 0 HD3 LYS A 48 18.283 -1.155 12.129 1.00 31.33 H new ATOM 0 HE2 LYS A 48 20.452 -0.114 11.825 1.00 75.14 H new ATOM 0 HE3 LYS A 48 19.270 0.767 10.878 1.00 75.14 H new ATOM 0 HZ1 LYS A 48 20.820 2.193 12.141 1.00 70.40 H new ATOM 0 HZ2 LYS A 48 19.190 2.486 12.514 1.00 70.40 H new ATOM 0 HZ3 LYS A 48 20.161 1.601 13.589 1.00 70.40 H new ATOM 828 N TYR A 49 14.622 1.791 11.299 1.00 3.13 N ATOM 829 CA TYR A 49 14.176 2.079 9.918 1.00 63.51 C ATOM 830 C TYR A 49 12.734 2.625 9.871 1.00 73.34 C ATOM 831 O TYR A 49 11.972 2.315 8.956 1.00 14.32 O ATOM 832 CB TYR A 49 14.286 0.822 9.029 1.00 12.04 C ATOM 833 CG TYR A 49 15.705 0.329 8.818 1.00 74.23 C ATOM 834 CD1 TYR A 49 16.591 1.033 8.011 1.00 31.42 C ATOM 835 CD2 TYR A 49 16.156 -0.840 9.424 1.00 41.54 C ATOM 836 CE1 TYR A 49 17.884 0.587 7.813 1.00 4.53 C ATOM 837 CE2 TYR A 49 17.447 -1.292 9.231 1.00 20.44 C ATOM 838 CZ TYR A 49 18.307 -0.574 8.425 1.00 31.54 C ATOM 839 OH TYR A 49 19.599 -1.016 8.233 1.00 20.03 O ATOM 0 H TYR A 49 15.362 2.409 11.633 1.00 3.13 H new ATOM 0 HA TYR A 49 14.840 2.853 9.532 1.00 63.51 H new ATOM 0 HB2 TYR A 49 13.699 0.021 9.478 1.00 12.04 H new ATOM 0 HB3 TYR A 49 13.841 1.038 8.058 1.00 12.04 H new ATOM 0 HD1 TYR A 49 16.264 1.943 7.531 1.00 31.42 H new ATOM 0 HD2 TYR A 49 15.485 -1.403 10.056 1.00 41.54 H new ATOM 0 HE1 TYR A 49 18.560 1.145 7.182 1.00 4.53 H new ATOM 0 HE2 TYR A 49 17.781 -2.202 9.708 1.00 20.44 H new ATOM 0 HH TYR A 49 19.738 -1.847 8.734 1.00 20.03 H new ATOM 849 N ASN A 50 12.385 3.484 10.827 1.00 23.04 N ATOM 850 CA ASN A 50 11.019 4.031 10.926 1.00 43.32 C ATOM 851 C ASN A 50 10.680 5.024 9.793 1.00 74.31 C ATOM 852 O ASN A 50 9.564 5.543 9.732 1.00 71.13 O ATOM 853 CB ASN A 50 10.819 4.702 12.287 1.00 53.12 C ATOM 854 CG ASN A 50 10.881 3.704 13.428 1.00 41.25 C ATOM 855 OD1 ASN A 50 11.936 3.466 14.012 1.00 61.34 O ATOM 856 ND2 ASN A 50 9.755 3.101 13.752 1.00 62.33 N ATOM 0 H ASN A 50 13.024 3.821 11.547 1.00 23.04 H new ATOM 0 HA ASN A 50 10.336 3.188 10.821 1.00 43.32 H new ATOM 0 HB2 ASN A 50 11.584 5.465 12.431 1.00 53.12 H new ATOM 0 HB3 ASN A 50 9.855 5.210 12.302 1.00 53.12 H new ATOM 0 HD21 ASN A 50 9.743 2.415 14.507 1.00 62.33 H new ATOM 0 HD22 ASN A 50 8.896 3.320 13.248 1.00 62.33 H new ATOM 863 N ALA A 51 11.638 5.293 8.910 1.00 42.31 N ATOM 864 CA ALA A 51 11.407 6.162 7.745 1.00 34.13 C ATOM 865 C ALA A 51 11.133 5.340 6.469 1.00 54.23 C ATOM 866 O ALA A 51 11.432 5.781 5.354 1.00 43.54 O ATOM 867 CB ALA A 51 12.610 7.074 7.539 1.00 35.01 C ATOM 0 H ALA A 51 12.587 4.923 8.974 1.00 42.31 H new ATOM 0 HA ALA A 51 10.522 6.766 7.942 1.00 34.13 H new ATOM 0 HB1 ALA A 51 12.436 7.716 6.676 1.00 35.01 H new ATOM 0 HB2 ALA A 51 12.756 7.690 8.426 1.00 35.01 H new ATOM 0 HB3 ALA A 51 13.500 6.469 7.368 1.00 35.01 H new ATOM 873 N THR A 52 10.542 4.157 6.637 1.00 11.13 N ATOM 874 CA THR A 52 10.299 3.235 5.516 1.00 61.42 C ATOM 875 C THR A 52 8.801 3.076 5.203 1.00 71.32 C ATOM 876 O THR A 52 7.984 2.886 6.103 1.00 35.52 O ATOM 877 CB THR A 52 10.892 1.831 5.810 1.00 10.42 C ATOM 878 OG1 THR A 52 12.286 1.940 6.142 1.00 61.53 O ATOM 879 CG2 THR A 52 10.728 0.896 4.613 1.00 51.40 C ATOM 0 H THR A 52 10.220 3.809 7.540 1.00 11.13 H new ATOM 0 HA THR A 52 10.793 3.677 4.650 1.00 61.42 H new ATOM 0 HB THR A 52 10.345 1.412 6.654 1.00 10.42 H new ATOM 0 HG1 THR A 52 12.379 2.190 7.085 1.00 61.53 H new ATOM 0 HG21 THR A 52 11.154 -0.079 4.852 1.00 51.40 H new ATOM 0 HG22 THR A 52 9.669 0.783 4.382 1.00 51.40 H new ATOM 0 HG23 THR A 52 11.245 1.316 3.750 1.00 51.40 H new ATOM 887 N ILE A 53 8.455 3.148 3.917 1.00 23.43 N ATOM 888 CA ILE A 53 7.083 2.911 3.450 1.00 54.53 C ATOM 889 C ILE A 53 6.918 1.463 2.957 1.00 21.54 C ATOM 890 O ILE A 53 7.762 0.949 2.219 1.00 44.10 O ATOM 891 CB ILE A 53 6.708 3.888 2.302 1.00 53.45 C ATOM 892 CG1 ILE A 53 6.750 5.344 2.804 1.00 60.30 C ATOM 893 CG2 ILE A 53 5.330 3.551 1.725 1.00 61.42 C ATOM 894 CD1 ILE A 53 6.375 6.374 1.756 1.00 11.12 C ATOM 0 H ILE A 53 9.113 3.371 3.170 1.00 23.43 H new ATOM 0 HA ILE A 53 6.416 3.083 4.295 1.00 54.53 H new ATOM 0 HB ILE A 53 7.441 3.776 1.503 1.00 53.45 H new ATOM 0 HG12 ILE A 53 6.074 5.443 3.653 1.00 60.30 H new ATOM 0 HG13 ILE A 53 7.754 5.562 3.169 1.00 60.30 H new ATOM 0 HG21 ILE A 53 5.091 4.249 0.923 1.00 61.42 H new ATOM 0 HG22 ILE A 53 5.339 2.535 1.331 1.00 61.42 H new ATOM 0 HG23 ILE A 53 4.578 3.629 2.510 1.00 61.42 H new ATOM 0 HD11 ILE A 53 6.430 7.372 2.191 1.00 11.12 H new ATOM 0 HD12 ILE A 53 7.066 6.306 0.915 1.00 11.12 H new ATOM 0 HD13 ILE A 53 5.360 6.185 1.408 1.00 11.12 H new ATOM 906 N VAL A 54 5.826 0.810 3.356 1.00 53.03 N ATOM 907 CA VAL A 54 5.596 -0.596 3.005 1.00 61.22 C ATOM 908 C VAL A 54 4.626 -0.749 1.815 1.00 51.24 C ATOM 909 O VAL A 54 3.465 -0.335 1.871 1.00 23.33 O ATOM 910 CB VAL A 54 5.077 -1.404 4.228 1.00 61.03 C ATOM 911 CG1 VAL A 54 3.817 -0.772 4.819 1.00 40.41 C ATOM 912 CG2 VAL A 54 4.831 -2.866 3.853 1.00 54.20 C ATOM 0 H VAL A 54 5.087 1.229 3.921 1.00 53.03 H new ATOM 0 HA VAL A 54 6.560 -1.002 2.700 1.00 61.22 H new ATOM 0 HB VAL A 54 5.851 -1.377 4.995 1.00 61.03 H new ATOM 0 HG11 VAL A 54 3.480 -1.361 5.672 1.00 40.41 H new ATOM 0 HG12 VAL A 54 4.038 0.244 5.145 1.00 40.41 H new ATOM 0 HG13 VAL A 54 3.033 -0.748 4.062 1.00 40.41 H new ATOM 0 HG21 VAL A 54 4.469 -3.409 4.726 1.00 54.20 H new ATOM 0 HG22 VAL A 54 4.087 -2.918 3.058 1.00 54.20 H new ATOM 0 HG23 VAL A 54 5.762 -3.315 3.507 1.00 54.20 H new ATOM 922 N VAL A 55 5.122 -1.346 0.732 1.00 0.02 N ATOM 923 CA VAL A 55 4.324 -1.574 -0.479 1.00 4.43 C ATOM 924 C VAL A 55 4.041 -3.074 -0.685 1.00 53.32 C ATOM 925 O VAL A 55 4.947 -3.853 -0.979 1.00 12.25 O ATOM 926 CB VAL A 55 5.047 -1.021 -1.735 1.00 62.24 C ATOM 927 CG1 VAL A 55 4.173 -1.180 -2.977 1.00 15.43 C ATOM 928 CG2 VAL A 55 5.447 0.441 -1.533 1.00 61.51 C ATOM 0 H VAL A 55 6.082 -1.685 0.666 1.00 0.02 H new ATOM 0 HA VAL A 55 3.380 -1.046 -0.343 1.00 4.43 H new ATOM 0 HB VAL A 55 5.957 -1.601 -1.886 1.00 62.24 H new ATOM 0 HG11 VAL A 55 4.700 -0.785 -3.846 1.00 15.43 H new ATOM 0 HG12 VAL A 55 3.953 -2.236 -3.135 1.00 15.43 H new ATOM 0 HG13 VAL A 55 3.241 -0.632 -2.839 1.00 15.43 H new ATOM 0 HG21 VAL A 55 5.952 0.807 -2.427 1.00 61.51 H new ATOM 0 HG22 VAL A 55 4.555 1.040 -1.349 1.00 61.51 H new ATOM 0 HG23 VAL A 55 6.119 0.520 -0.678 1.00 61.51 H new ATOM 938 N VAL A 56 2.780 -3.470 -0.531 1.00 62.14 N ATOM 939 CA VAL A 56 2.380 -4.873 -0.671 1.00 21.44 C ATOM 940 C VAL A 56 1.881 -5.182 -2.094 1.00 4.12 C ATOM 941 O VAL A 56 0.755 -4.836 -2.458 1.00 11.50 O ATOM 942 CB VAL A 56 1.273 -5.245 0.351 1.00 71.15 C ATOM 943 CG1 VAL A 56 0.930 -6.733 0.269 1.00 35.41 C ATOM 944 CG2 VAL A 56 1.690 -4.856 1.772 1.00 51.23 C ATOM 0 H VAL A 56 2.012 -2.837 -0.308 1.00 62.14 H new ATOM 0 HA VAL A 56 3.268 -5.473 -0.473 1.00 21.44 H new ATOM 0 HB VAL A 56 0.376 -4.680 0.097 1.00 71.15 H new ATOM 0 HG11 VAL A 56 0.152 -6.968 0.995 1.00 35.41 H new ATOM 0 HG12 VAL A 56 0.574 -6.970 -0.734 1.00 35.41 H new ATOM 0 HG13 VAL A 56 1.820 -7.324 0.487 1.00 35.41 H new ATOM 0 HG21 VAL A 56 0.898 -5.127 2.470 1.00 51.23 H new ATOM 0 HG22 VAL A 56 2.606 -5.383 2.040 1.00 51.23 H new ATOM 0 HG23 VAL A 56 1.863 -3.781 1.819 1.00 51.23 H new ATOM 954 N VAL A 57 2.724 -5.829 -2.899 1.00 42.22 N ATOM 955 CA VAL A 57 2.350 -6.217 -4.263 1.00 12.23 C ATOM 956 C VAL A 57 1.605 -7.560 -4.263 1.00 51.34 C ATOM 957 O VAL A 57 2.218 -8.633 -4.228 1.00 42.12 O ATOM 958 CB VAL A 57 3.584 -6.308 -5.194 1.00 33.20 C ATOM 959 CG1 VAL A 57 3.160 -6.642 -6.627 1.00 40.14 C ATOM 960 CG2 VAL A 57 4.380 -5.006 -5.150 1.00 33.25 C ATOM 0 H VAL A 57 3.671 -6.096 -2.632 1.00 42.22 H new ATOM 0 HA VAL A 57 1.690 -5.439 -4.646 1.00 12.23 H new ATOM 0 HB VAL A 57 4.226 -7.114 -4.839 1.00 33.20 H new ATOM 0 HG11 VAL A 57 4.043 -6.701 -7.263 1.00 40.14 H new ATOM 0 HG12 VAL A 57 2.640 -7.600 -6.639 1.00 40.14 H new ATOM 0 HG13 VAL A 57 2.495 -5.863 -7.000 1.00 40.14 H new ATOM 0 HG21 VAL A 57 5.244 -5.085 -5.809 1.00 33.25 H new ATOM 0 HG22 VAL A 57 3.747 -4.181 -5.479 1.00 33.25 H new ATOM 0 HG23 VAL A 57 4.718 -4.820 -4.130 1.00 33.25 H new ATOM 970 N VAL A 58 0.282 -7.490 -4.306 1.00 52.33 N ATOM 971 CA VAL A 58 -0.561 -8.680 -4.189 1.00 3.44 C ATOM 972 C VAL A 58 -0.699 -9.435 -5.522 1.00 65.13 C ATOM 973 O VAL A 58 -0.042 -9.114 -6.514 1.00 65.32 O ATOM 974 CB VAL A 58 -1.969 -8.312 -3.652 1.00 3.11 C ATOM 975 CG1 VAL A 58 -1.867 -7.705 -2.253 1.00 73.10 C ATOM 976 CG2 VAL A 58 -2.685 -7.358 -4.604 1.00 1.15 C ATOM 0 H VAL A 58 -0.236 -6.619 -4.421 1.00 52.33 H new ATOM 0 HA VAL A 58 -0.063 -9.341 -3.480 1.00 3.44 H new ATOM 0 HB VAL A 58 -2.558 -9.227 -3.588 1.00 3.11 H new ATOM 0 HG11 VAL A 58 -2.864 -7.453 -1.892 1.00 73.10 H new ATOM 0 HG12 VAL A 58 -1.408 -8.426 -1.576 1.00 73.10 H new ATOM 0 HG13 VAL A 58 -1.256 -6.803 -2.291 1.00 73.10 H new ATOM 0 HG21 VAL A 58 -3.670 -7.116 -4.204 1.00 1.15 H new ATOM 0 HG22 VAL A 58 -2.101 -6.443 -4.710 1.00 1.15 H new ATOM 0 HG23 VAL A 58 -2.796 -7.832 -5.579 1.00 1.15 H new ATOM 986 N ASP A 59 -1.554 -10.448 -5.526 1.00 0.40 N ATOM 987 CA ASP A 59 -1.742 -11.308 -6.700 1.00 32.55 C ATOM 988 C ASP A 59 -3.186 -11.826 -6.769 1.00 41.20 C ATOM 989 O ASP A 59 -3.743 -12.024 -7.852 1.00 53.31 O ATOM 990 CB ASP A 59 -0.758 -12.481 -6.635 1.00 72.22 C ATOM 991 CG ASP A 59 -0.766 -13.318 -7.899 1.00 24.05 C ATOM 992 OD1 ASP A 59 -0.153 -12.888 -8.897 1.00 53.03 O ATOM 993 OD2 ASP A 59 -1.378 -14.404 -7.899 1.00 22.31 O ATOM 0 H ASP A 59 -2.135 -10.701 -4.727 1.00 0.40 H new ATOM 0 HA ASP A 59 -1.550 -10.725 -7.600 1.00 32.55 H new ATOM 0 HB2 ASP A 59 0.248 -12.098 -6.464 1.00 72.22 H new ATOM 0 HB3 ASP A 59 -1.008 -13.113 -5.783 1.00 72.22 H new ATOM 998 N ASP A 60 -3.773 -12.053 -5.600 1.00 1.21 N ATOM 999 CA ASP A 60 -5.164 -12.487 -5.485 1.00 45.41 C ATOM 1000 C ASP A 60 -5.972 -11.506 -4.611 1.00 53.33 C ATOM 1001 O ASP A 60 -5.455 -10.961 -3.632 1.00 14.44 O ATOM 1002 CB ASP A 60 -5.204 -13.904 -4.900 1.00 50.00 C ATOM 1003 CG ASP A 60 -6.615 -14.388 -4.634 1.00 70.20 C ATOM 1004 OD1 ASP A 60 -7.273 -14.870 -5.574 1.00 25.45 O ATOM 1005 OD2 ASP A 60 -7.069 -14.283 -3.482 1.00 14.30 O ATOM 0 H ASP A 60 -3.300 -11.942 -4.703 1.00 1.21 H new ATOM 0 HA ASP A 60 -5.621 -12.497 -6.474 1.00 45.41 H new ATOM 0 HB2 ASP A 60 -4.713 -14.591 -5.589 1.00 50.00 H new ATOM 0 HB3 ASP A 60 -4.636 -13.925 -3.970 1.00 50.00 H new ATOM 1010 N LYS A 61 -7.234 -11.286 -4.980 1.00 40.05 N ATOM 1011 CA LYS A 61 -8.126 -10.369 -4.254 1.00 34.51 C ATOM 1012 C LYS A 61 -8.221 -10.715 -2.757 1.00 23.44 C ATOM 1013 O LYS A 61 -8.108 -9.839 -1.895 1.00 42.42 O ATOM 1014 CB LYS A 61 -9.525 -10.411 -4.884 1.00 75.31 C ATOM 1015 CG LYS A 61 -10.491 -9.365 -4.334 1.00 31.24 C ATOM 1016 CD LYS A 61 -11.892 -9.531 -4.918 1.00 61.22 C ATOM 1017 CE LYS A 61 -11.883 -9.501 -6.445 1.00 60.45 C ATOM 1018 NZ LYS A 61 -13.223 -9.800 -7.014 1.00 30.35 N ATOM 0 H LYS A 61 -7.669 -11.734 -5.786 1.00 40.05 H new ATOM 0 HA LYS A 61 -7.706 -9.366 -4.332 1.00 34.51 H new ATOM 0 HB2 LYS A 61 -9.431 -10.271 -5.961 1.00 75.31 H new ATOM 0 HB3 LYS A 61 -9.952 -11.402 -4.727 1.00 75.31 H new ATOM 0 HG2 LYS A 61 -10.537 -9.447 -3.248 1.00 31.24 H new ATOM 0 HG3 LYS A 61 -10.117 -8.367 -4.563 1.00 31.24 H new ATOM 0 HD2 LYS A 61 -12.318 -10.475 -4.577 1.00 61.22 H new ATOM 0 HD3 LYS A 61 -12.537 -8.736 -4.544 1.00 61.22 H new ATOM 0 HE2 LYS A 61 -11.554 -8.519 -6.787 1.00 60.45 H new ATOM 0 HE3 LYS A 61 -11.160 -10.227 -6.818 1.00 60.45 H new ATOM 0 HZ1 LYS A 61 -13.174 -9.770 -8.052 1.00 30.35 H new ATOM 0 HZ2 LYS A 61 -13.526 -10.747 -6.709 1.00 30.35 H new ATOM 0 HZ3 LYS A 61 -13.908 -9.093 -6.679 1.00 30.35 H new ATOM 1032 N GLU A 62 -8.426 -11.996 -2.455 1.00 5.43 N ATOM 1033 CA GLU A 62 -8.529 -12.452 -1.067 1.00 11.43 C ATOM 1034 C GLU A 62 -7.178 -12.332 -0.352 1.00 35.05 C ATOM 1035 O GLU A 62 -7.126 -12.005 0.829 1.00 33.04 O ATOM 1036 CB GLU A 62 -9.030 -13.899 -1.008 1.00 42.32 C ATOM 1037 CG GLU A 62 -10.393 -14.103 -1.658 1.00 64.44 C ATOM 1038 CD GLU A 62 -10.823 -15.559 -1.661 1.00 2.42 C ATOM 1039 OE1 GLU A 62 -11.445 -15.999 -0.675 1.00 75.34 O ATOM 1040 OE2 GLU A 62 -10.532 -16.270 -2.648 1.00 3.25 O ATOM 0 H GLU A 62 -8.524 -12.736 -3.150 1.00 5.43 H new ATOM 0 HA GLU A 62 -9.249 -11.813 -0.556 1.00 11.43 H new ATOM 0 HB2 GLU A 62 -8.303 -14.546 -1.499 1.00 42.32 H new ATOM 0 HB3 GLU A 62 -9.084 -14.213 0.034 1.00 42.32 H new ATOM 0 HG2 GLU A 62 -11.137 -13.509 -1.128 1.00 64.44 H new ATOM 0 HG3 GLU A 62 -10.362 -13.734 -2.683 1.00 64.44 H new ATOM 1047 N TRP A 63 -6.087 -12.600 -1.075 1.00 42.54 N ATOM 1048 CA TRP A 63 -4.734 -12.381 -0.542 1.00 54.41 C ATOM 1049 C TRP A 63 -4.572 -10.929 -0.066 1.00 13.21 C ATOM 1050 O TRP A 63 -4.058 -10.672 1.025 1.00 5.11 O ATOM 1051 CB TRP A 63 -3.671 -12.739 -1.600 1.00 13.12 C ATOM 1052 CG TRP A 63 -2.279 -12.236 -1.292 1.00 44.55 C ATOM 1053 CD1 TRP A 63 -1.422 -11.631 -2.169 1.00 62.20 C ATOM 1054 CD2 TRP A 63 -1.588 -12.285 -0.033 1.00 61.23 C ATOM 1055 NE1 TRP A 63 -0.252 -11.297 -1.535 1.00 1.23 N ATOM 1056 CE2 TRP A 63 -0.326 -11.688 -0.226 1.00 54.22 C ATOM 1057 CE3 TRP A 63 -1.909 -12.777 1.238 1.00 35.11 C ATOM 1058 CZ2 TRP A 63 0.603 -11.559 0.803 1.00 3.10 C ATOM 1059 CZ3 TRP A 63 -0.987 -12.648 2.256 1.00 62.52 C ATOM 1060 CH2 TRP A 63 0.257 -12.047 2.033 1.00 35.41 C ATOM 0 H TRP A 63 -6.111 -12.967 -2.026 1.00 42.54 H new ATOM 0 HA TRP A 63 -4.588 -13.036 0.317 1.00 54.41 H new ATOM 0 HB2 TRP A 63 -3.635 -13.823 -1.707 1.00 13.12 H new ATOM 0 HB3 TRP A 63 -3.985 -12.334 -2.562 1.00 13.12 H new ATOM 0 HD1 TRP A 63 -1.635 -11.443 -3.211 1.00 62.20 H new ATOM 0 HE1 TRP A 63 0.545 -10.832 -1.970 1.00 1.23 H new ATOM 0 HE3 TRP A 63 -2.863 -13.250 1.418 1.00 35.11 H new ATOM 0 HZ2 TRP A 63 1.562 -11.091 0.636 1.00 3.10 H new ATOM 0 HZ3 TRP A 63 -1.229 -13.017 3.242 1.00 62.52 H new ATOM 0 HH2 TRP A 63 0.959 -11.967 2.850 1.00 35.41 H new ATOM 1071 N ALA A 64 -5.039 -9.983 -0.877 1.00 73.12 N ATOM 1072 CA ALA A 64 -5.034 -8.571 -0.491 1.00 43.11 C ATOM 1073 C ALA A 64 -5.807 -8.355 0.825 1.00 44.32 C ATOM 1074 O ALA A 64 -5.373 -7.604 1.703 1.00 22.23 O ATOM 1075 CB ALA A 64 -5.622 -7.720 -1.612 1.00 72.32 C ATOM 0 H ALA A 64 -5.425 -10.166 -1.803 1.00 73.12 H new ATOM 0 HA ALA A 64 -4.002 -8.262 -0.323 1.00 43.11 H new ATOM 0 HB1 ALA A 64 -5.614 -6.671 -1.315 1.00 72.32 H new ATOM 0 HB2 ALA A 64 -5.026 -7.846 -2.516 1.00 72.32 H new ATOM 0 HB3 ALA A 64 -6.647 -8.034 -1.807 1.00 72.32 H new ATOM 1081 N GLU A 65 -6.948 -9.032 0.957 1.00 74.21 N ATOM 1082 CA GLU A 65 -7.748 -8.976 2.187 1.00 34.15 C ATOM 1083 C GLU A 65 -6.991 -9.576 3.384 1.00 54.34 C ATOM 1084 O GLU A 65 -7.012 -9.021 4.482 1.00 42.44 O ATOM 1085 CB GLU A 65 -9.081 -9.713 1.995 1.00 24.21 C ATOM 1086 CG GLU A 65 -9.961 -9.727 3.243 1.00 72.30 C ATOM 1087 CD GLU A 65 -11.296 -10.422 3.024 1.00 3.20 C ATOM 1088 OE1 GLU A 65 -12.239 -9.762 2.541 1.00 61.30 O ATOM 1089 OE2 GLU A 65 -11.416 -11.620 3.354 1.00 43.43 O ATOM 0 H GLU A 65 -7.342 -9.627 0.228 1.00 74.21 H new ATOM 0 HA GLU A 65 -7.943 -7.925 2.401 1.00 34.15 H new ATOM 0 HB2 GLU A 65 -9.631 -9.244 1.179 1.00 24.21 H new ATOM 0 HB3 GLU A 65 -8.878 -10.740 1.693 1.00 24.21 H new ATOM 0 HG2 GLU A 65 -9.427 -10.226 4.051 1.00 72.30 H new ATOM 0 HG3 GLU A 65 -10.141 -8.701 3.565 1.00 72.30 H new ATOM 1096 N LYS A 66 -6.321 -10.706 3.158 1.00 74.02 N ATOM 1097 CA LYS A 66 -5.543 -11.382 4.207 1.00 1.31 C ATOM 1098 C LYS A 66 -4.463 -10.455 4.789 1.00 72.24 C ATOM 1099 O LYS A 66 -4.166 -10.499 5.988 1.00 14.14 O ATOM 1100 CB LYS A 66 -4.895 -12.657 3.640 1.00 41.23 C ATOM 1101 CG LYS A 66 -5.902 -13.668 3.089 1.00 0.22 C ATOM 1102 CD LYS A 66 -5.222 -14.810 2.334 1.00 41.12 C ATOM 1103 CE LYS A 66 -6.239 -15.714 1.641 1.00 63.55 C ATOM 1104 NZ LYS A 66 -5.582 -16.781 0.836 1.00 72.45 N ATOM 0 H LYS A 66 -6.299 -11.178 2.254 1.00 74.02 H new ATOM 0 HA LYS A 66 -6.225 -11.650 5.014 1.00 1.31 H new ATOM 0 HB2 LYS A 66 -4.202 -12.379 2.846 1.00 41.23 H new ATOM 0 HB3 LYS A 66 -4.307 -13.134 4.424 1.00 41.23 H new ATOM 0 HG2 LYS A 66 -6.489 -14.077 3.911 1.00 0.22 H new ATOM 0 HG3 LYS A 66 -6.598 -13.158 2.423 1.00 0.22 H new ATOM 0 HD2 LYS A 66 -4.536 -14.399 1.593 1.00 41.12 H new ATOM 0 HD3 LYS A 66 -4.624 -15.400 3.029 1.00 41.12 H new ATOM 0 HE2 LYS A 66 -6.886 -16.171 2.389 1.00 63.55 H new ATOM 0 HE3 LYS A 66 -6.876 -15.112 0.993 1.00 63.55 H new ATOM 0 HZ1 LYS A 66 -6.309 -17.371 0.383 1.00 72.45 H new ATOM 0 HZ2 LYS A 66 -4.984 -16.346 0.105 1.00 72.45 H new ATOM 0 HZ3 LYS A 66 -4.994 -17.372 1.457 1.00 72.45 H new ATOM 1118 N ALA A 67 -3.883 -9.615 3.932 1.00 75.05 N ATOM 1119 CA ALA A 67 -2.877 -8.639 4.360 1.00 75.21 C ATOM 1120 C ALA A 67 -3.501 -7.514 5.204 1.00 0.22 C ATOM 1121 O ALA A 67 -3.049 -7.236 6.317 1.00 43.54 O ATOM 1122 CB ALA A 67 -2.156 -8.061 3.145 1.00 34.30 C ATOM 0 H ALA A 67 -4.092 -9.590 2.934 1.00 75.05 H new ATOM 0 HA ALA A 67 -2.154 -9.157 4.990 1.00 75.21 H new ATOM 0 HB1 ALA A 67 -1.411 -7.337 3.475 1.00 34.30 H new ATOM 0 HB2 ALA A 67 -1.664 -8.865 2.598 1.00 34.30 H new ATOM 0 HB3 ALA A 67 -2.878 -7.568 2.494 1.00 34.30 H new ATOM 1128 N ILE A 68 -4.550 -6.878 4.676 1.00 54.32 N ATOM 1129 CA ILE A 68 -5.227 -5.779 5.384 1.00 62.25 C ATOM 1130 C ILE A 68 -5.834 -6.252 6.716 1.00 1.23 C ATOM 1131 O ILE A 68 -5.808 -5.533 7.716 1.00 0.41 O ATOM 1132 CB ILE A 68 -6.336 -5.141 4.507 1.00 14.13 C ATOM 1133 CG1 ILE A 68 -5.742 -4.625 3.184 1.00 64.24 C ATOM 1134 CG2 ILE A 68 -7.051 -4.012 5.255 1.00 40.40 C ATOM 1135 CD1 ILE A 68 -4.646 -3.592 3.355 1.00 65.24 C ATOM 0 H ILE A 68 -4.951 -7.101 3.765 1.00 54.32 H new ATOM 0 HA ILE A 68 -4.467 -5.027 5.595 1.00 62.25 H new ATOM 0 HB ILE A 68 -7.074 -5.911 4.281 1.00 14.13 H new ATOM 0 HG12 ILE A 68 -5.344 -5.471 2.623 1.00 64.24 H new ATOM 0 HG13 ILE A 68 -6.543 -4.193 2.584 1.00 64.24 H new ATOM 0 HG21 ILE A 68 -7.823 -3.584 4.616 1.00 40.40 H new ATOM 0 HG22 ILE A 68 -7.509 -4.409 6.161 1.00 40.40 H new ATOM 0 HG23 ILE A 68 -6.330 -3.239 5.522 1.00 40.40 H new ATOM 0 HD11 ILE A 68 -4.283 -3.282 2.375 1.00 65.24 H new ATOM 0 HD12 ILE A 68 -5.042 -2.726 3.886 1.00 65.24 H new ATOM 0 HD13 ILE A 68 -3.825 -4.024 3.926 1.00 65.24 H new ATOM 1147 N ARG A 69 -6.375 -7.467 6.723 1.00 22.44 N ATOM 1148 CA ARG A 69 -6.929 -8.067 7.940 1.00 40.14 C ATOM 1149 C ARG A 69 -5.843 -8.229 9.019 1.00 53.23 C ATOM 1150 O ARG A 69 -6.093 -8.013 10.209 1.00 1.32 O ATOM 1151 CB ARG A 69 -7.578 -9.415 7.602 1.00 51.32 C ATOM 1152 CG ARG A 69 -8.139 -10.168 8.804 1.00 64.23 C ATOM 1153 CD ARG A 69 -8.988 -11.359 8.367 1.00 73.43 C ATOM 1154 NE ARG A 69 -8.281 -12.226 7.422 1.00 64.54 N ATOM 1155 CZ ARG A 69 -8.828 -12.753 6.358 1.00 40.44 C ATOM 1156 NH1 ARG A 69 -10.068 -12.526 6.072 1.00 11.00 N ATOM 1157 NH2 ARG A 69 -8.127 -13.510 5.580 1.00 41.51 N ATOM 0 H ARG A 69 -6.443 -8.061 5.896 1.00 22.44 H new ATOM 0 HA ARG A 69 -7.692 -7.402 8.344 1.00 40.14 H new ATOM 0 HB2 ARG A 69 -8.383 -9.247 6.887 1.00 51.32 H new ATOM 0 HB3 ARG A 69 -6.839 -10.045 7.107 1.00 51.32 H new ATOM 0 HG2 ARG A 69 -7.319 -10.515 9.433 1.00 64.23 H new ATOM 0 HG3 ARG A 69 -8.742 -9.492 9.410 1.00 64.23 H new ATOM 0 HD2 ARG A 69 -9.276 -11.939 9.244 1.00 73.43 H new ATOM 0 HD3 ARG A 69 -9.908 -10.998 7.908 1.00 73.43 H new ATOM 0 HE ARG A 69 -7.299 -12.432 7.606 1.00 64.54 H new ATOM 0 HH11 ARG A 69 -10.631 -11.930 6.679 1.00 11.00 H new ATOM 0 HH12 ARG A 69 -10.484 -12.943 5.239 1.00 11.00 H new ATOM 0 HH21 ARG A 69 -7.148 -13.696 5.796 1.00 41.51 H new ATOM 0 HH22 ARG A 69 -8.553 -13.922 4.750 1.00 41.51 H new ATOM 1171 N PHE A 70 -4.634 -8.593 8.592 1.00 24.55 N ATOM 1172 CA PHE A 70 -3.481 -8.664 9.499 1.00 42.31 C ATOM 1173 C PHE A 70 -3.151 -7.268 10.055 1.00 34.31 C ATOM 1174 O PHE A 70 -2.908 -7.103 11.252 1.00 11.44 O ATOM 1175 CB PHE A 70 -2.263 -9.255 8.767 1.00 4.44 C ATOM 1176 CG PHE A 70 -1.047 -9.424 9.648 1.00 31.14 C ATOM 1177 CD1 PHE A 70 -0.965 -10.483 10.542 1.00 73.20 C ATOM 1178 CD2 PHE A 70 0.010 -8.526 9.583 1.00 43.43 C ATOM 1179 CE1 PHE A 70 0.143 -10.641 11.353 1.00 32.35 C ATOM 1180 CE2 PHE A 70 1.120 -8.682 10.391 1.00 14.35 C ATOM 1181 CZ PHE A 70 1.186 -9.740 11.277 1.00 11.35 C ATOM 0 H PHE A 70 -4.424 -8.844 7.626 1.00 24.55 H new ATOM 0 HA PHE A 70 -3.733 -9.317 10.335 1.00 42.31 H new ATOM 0 HB2 PHE A 70 -2.536 -10.224 8.350 1.00 4.44 H new ATOM 0 HB3 PHE A 70 -2.006 -8.608 7.928 1.00 4.44 H new ATOM 0 HD1 PHE A 70 -1.777 -11.192 10.605 1.00 73.20 H new ATOM 0 HD2 PHE A 70 -0.036 -7.696 8.893 1.00 43.43 H new ATOM 0 HE1 PHE A 70 0.193 -11.468 12.045 1.00 32.35 H new ATOM 0 HE2 PHE A 70 1.936 -7.977 10.330 1.00 14.35 H new ATOM 0 HZ PHE A 70 2.053 -9.862 11.910 1.00 11.35 H new ATOM 1191 N VAL A 71 -3.160 -6.263 9.179 1.00 41.21 N ATOM 1192 CA VAL A 71 -2.937 -4.870 9.594 1.00 10.22 C ATOM 1193 C VAL A 71 -3.996 -4.413 10.614 1.00 65.31 C ATOM 1194 O VAL A 71 -3.689 -3.700 11.573 1.00 14.30 O ATOM 1195 CB VAL A 71 -2.948 -3.909 8.376 1.00 62.00 C ATOM 1196 CG1 VAL A 71 -2.696 -2.465 8.811 1.00 12.04 C ATOM 1197 CG2 VAL A 71 -1.923 -4.348 7.333 1.00 60.01 C ATOM 0 H VAL A 71 -3.319 -6.383 8.179 1.00 41.21 H new ATOM 0 HA VAL A 71 -1.954 -4.834 10.064 1.00 10.22 H new ATOM 0 HB VAL A 71 -3.938 -3.953 7.922 1.00 62.00 H new ATOM 0 HG11 VAL A 71 -2.709 -1.814 7.937 1.00 12.04 H new ATOM 0 HG12 VAL A 71 -3.475 -2.154 9.507 1.00 12.04 H new ATOM 0 HG13 VAL A 71 -1.724 -2.397 9.300 1.00 12.04 H new ATOM 0 HG21 VAL A 71 -1.947 -3.661 6.487 1.00 60.01 H new ATOM 0 HG22 VAL A 71 -0.927 -4.343 7.777 1.00 60.01 H new ATOM 0 HG23 VAL A 71 -2.162 -5.354 6.989 1.00 60.01 H new ATOM 1207 N LYS A 72 -5.243 -4.838 10.406 1.00 1.22 N ATOM 1208 CA LYS A 72 -6.335 -4.520 11.333 1.00 4.43 C ATOM 1209 C LYS A 72 -6.067 -5.120 12.725 1.00 31.12 C ATOM 1210 O LYS A 72 -6.426 -4.533 13.750 1.00 41.25 O ATOM 1211 CB LYS A 72 -7.672 -5.045 10.789 1.00 30.31 C ATOM 1212 CG LYS A 72 -8.893 -4.514 11.541 1.00 62.25 C ATOM 1213 CD LYS A 72 -10.186 -5.197 11.096 1.00 3.44 C ATOM 1214 CE LYS A 72 -10.257 -6.648 11.567 1.00 70.04 C ATOM 1215 NZ LYS A 72 -10.327 -6.751 13.049 1.00 45.31 N ATOM 0 H LYS A 72 -5.524 -5.403 9.605 1.00 1.22 H new ATOM 0 HA LYS A 72 -6.390 -3.435 11.426 1.00 4.43 H new ATOM 0 HB2 LYS A 72 -7.758 -4.773 9.737 1.00 30.31 H new ATOM 0 HB3 LYS A 72 -7.672 -6.134 10.838 1.00 30.31 H new ATOM 0 HG2 LYS A 72 -8.753 -4.666 12.611 1.00 62.25 H new ATOM 0 HG3 LYS A 72 -8.978 -3.439 11.380 1.00 62.25 H new ATOM 0 HD2 LYS A 72 -11.041 -4.646 11.488 1.00 3.44 H new ATOM 0 HD3 LYS A 72 -10.258 -5.165 10.009 1.00 3.44 H new ATOM 0 HE2 LYS A 72 -11.132 -7.129 11.129 1.00 70.04 H new ATOM 0 HE3 LYS A 72 -9.382 -7.189 11.207 1.00 70.04 H new ATOM 0 HZ1 LYS A 72 -10.626 -7.710 13.317 1.00 45.31 H new ATOM 0 HZ2 LYS A 72 -9.390 -6.554 13.455 1.00 45.31 H new ATOM 0 HZ3 LYS A 72 -11.014 -6.060 13.413 1.00 45.31 H new ATOM 1229 N SER A 73 -5.431 -6.292 12.749 1.00 32.14 N ATOM 1230 CA SER A 73 -5.056 -6.954 14.010 1.00 60.20 C ATOM 1231 C SER A 73 -4.054 -6.111 14.811 1.00 2.12 C ATOM 1232 O SER A 73 -4.007 -6.181 16.041 1.00 70.24 O ATOM 1233 CB SER A 73 -4.450 -8.337 13.732 1.00 51.13 C ATOM 1234 OG SER A 73 -4.099 -9.000 14.937 1.00 20.43 O ATOM 0 H SER A 73 -5.162 -6.807 11.911 1.00 32.14 H new ATOM 0 HA SER A 73 -5.965 -7.066 14.601 1.00 60.20 H new ATOM 0 HB2 SER A 73 -5.164 -8.944 13.176 1.00 51.13 H new ATOM 0 HB3 SER A 73 -3.566 -8.229 13.103 1.00 51.13 H new ATOM 0 HG SER A 73 -3.717 -9.878 14.728 1.00 20.43 H new ATOM 1240 N LEU A 74 -3.254 -5.312 14.104 1.00 50.54 N ATOM 1241 CA LEU A 74 -2.256 -4.440 14.738 1.00 53.22 C ATOM 1242 C LEU A 74 -2.923 -3.300 15.526 1.00 44.31 C ATOM 1243 O LEU A 74 -2.456 -2.911 16.598 1.00 62.23 O ATOM 1244 CB LEU A 74 -1.323 -3.846 13.672 1.00 54.53 C ATOM 1245 CG LEU A 74 -0.607 -4.866 12.772 1.00 4.34 C ATOM 1246 CD1 LEU A 74 0.189 -4.150 11.687 1.00 73.43 C ATOM 1247 CD2 LEU A 74 0.299 -5.777 13.600 1.00 5.44 C ATOM 0 H LEU A 74 -3.276 -5.248 13.086 1.00 50.54 H new ATOM 0 HA LEU A 74 -1.681 -5.048 15.436 1.00 53.22 H new ATOM 0 HB2 LEU A 74 -1.904 -3.175 13.039 1.00 54.53 H new ATOM 0 HB3 LEU A 74 -0.569 -3.238 14.173 1.00 54.53 H new ATOM 0 HG LEU A 74 -1.360 -5.489 12.290 1.00 4.34 H new ATOM 0 HD11 LEU A 74 0.690 -4.886 11.058 1.00 73.43 H new ATOM 0 HD12 LEU A 74 -0.486 -3.550 11.076 1.00 73.43 H new ATOM 0 HD13 LEU A 74 0.933 -3.501 12.150 1.00 73.43 H new ATOM 0 HD21 LEU A 74 0.796 -6.491 12.943 1.00 5.44 H new ATOM 0 HD22 LEU A 74 1.048 -5.175 14.114 1.00 5.44 H new ATOM 0 HD23 LEU A 74 -0.300 -6.316 14.334 1.00 5.44 H new ATOM 1259 N GLY A 75 -4.013 -2.765 14.978 1.00 2.13 N ATOM 1260 CA GLY A 75 -4.727 -1.668 15.625 1.00 54.33 C ATOM 1261 C GLY A 75 -4.119 -0.294 15.339 1.00 15.22 C ATOM 1262 O GLY A 75 -4.519 0.707 15.933 1.00 72.12 O ATOM 0 H GLY A 75 -4.418 -3.071 14.093 1.00 2.13 H new ATOM 0 HA2 GLY A 75 -5.765 -1.674 15.292 1.00 54.33 H new ATOM 0 HA3 GLY A 75 -4.736 -1.836 16.702 1.00 54.33 H new ATOM 1266 N ALA A 76 -3.152 -0.245 14.426 1.00 4.04 N ATOM 1267 CA ALA A 76 -2.479 1.012 14.073 1.00 64.13 C ATOM 1268 C ALA A 76 -3.220 1.757 12.951 1.00 55.55 C ATOM 1269 O ALA A 76 -3.326 1.261 11.827 1.00 62.14 O ATOM 1270 CB ALA A 76 -1.034 0.735 13.664 1.00 74.55 C ATOM 0 H ALA A 76 -2.813 -1.060 13.914 1.00 4.04 H new ATOM 0 HA ALA A 76 -2.486 1.654 14.954 1.00 64.13 H new ATOM 0 HB1 ALA A 76 -0.543 1.673 13.404 1.00 74.55 H new ATOM 0 HB2 ALA A 76 -0.505 0.266 14.493 1.00 74.55 H new ATOM 0 HB3 ALA A 76 -1.021 0.068 12.802 1.00 74.55 H new ATOM 1276 N GLN A 77 -3.726 2.951 13.258 1.00 61.41 N ATOM 1277 CA GLN A 77 -4.455 3.756 12.270 1.00 44.52 C ATOM 1278 C GLN A 77 -3.493 4.387 11.247 1.00 12.31 C ATOM 1279 O GLN A 77 -2.772 5.340 11.548 1.00 51.44 O ATOM 1280 CB GLN A 77 -5.308 4.832 12.970 1.00 33.53 C ATOM 1281 CG GLN A 77 -4.532 5.727 13.939 1.00 33.31 C ATOM 1282 CD GLN A 77 -5.421 6.720 14.672 1.00 33.01 C ATOM 1283 OE1 GLN A 77 -6.595 6.460 14.922 1.00 44.44 O ATOM 1284 NE2 GLN A 77 -4.873 7.864 15.029 1.00 3.33 N ATOM 0 H GLN A 77 -3.647 3.384 14.178 1.00 61.41 H new ATOM 0 HA GLN A 77 -5.127 3.094 11.723 1.00 44.52 H new ATOM 0 HB2 GLN A 77 -5.774 5.459 12.210 1.00 33.53 H new ATOM 0 HB3 GLN A 77 -6.114 4.341 13.515 1.00 33.53 H new ATOM 0 HG2 GLN A 77 -4.016 5.102 14.668 1.00 33.31 H new ATOM 0 HG3 GLN A 77 -3.766 6.272 13.387 1.00 33.31 H new ATOM 0 HE21 GLN A 77 -3.895 8.052 14.808 1.00 3.33 H new ATOM 0 HE22 GLN A 77 -5.427 8.561 15.527 1.00 3.33 H new ATOM 1293 N VAL A 78 -3.483 3.834 10.036 1.00 1.44 N ATOM 1294 CA VAL A 78 -2.569 4.278 8.975 1.00 70.12 C ATOM 1295 C VAL A 78 -3.301 4.497 7.641 1.00 3.12 C ATOM 1296 O VAL A 78 -4.435 4.051 7.457 1.00 43.50 O ATOM 1297 CB VAL A 78 -1.425 3.251 8.754 1.00 3.12 C ATOM 1298 CG1 VAL A 78 -0.610 3.059 10.030 1.00 73.34 C ATOM 1299 CG2 VAL A 78 -1.979 1.913 8.258 1.00 44.42 C ATOM 0 H VAL A 78 -4.101 3.071 9.760 1.00 1.44 H new ATOM 0 HA VAL A 78 -2.151 5.228 9.308 1.00 70.12 H new ATOM 0 HB VAL A 78 -0.762 3.649 7.986 1.00 3.12 H new ATOM 0 HG11 VAL A 78 0.185 2.335 9.849 1.00 73.34 H new ATOM 0 HG12 VAL A 78 -0.172 4.011 10.329 1.00 73.34 H new ATOM 0 HG13 VAL A 78 -1.260 2.693 10.825 1.00 73.34 H new ATOM 0 HG21 VAL A 78 -1.158 1.211 8.111 1.00 44.42 H new ATOM 0 HG22 VAL A 78 -2.673 1.510 8.996 1.00 44.42 H new ATOM 0 HG23 VAL A 78 -2.501 2.063 7.313 1.00 44.42 H new ATOM 1309 N LEU A 79 -2.642 5.193 6.715 1.00 23.31 N ATOM 1310 CA LEU A 79 -3.180 5.398 5.366 1.00 42.20 C ATOM 1311 C LEU A 79 -2.880 4.183 4.477 1.00 64.23 C ATOM 1312 O LEU A 79 -1.803 3.588 4.565 1.00 72.33 O ATOM 1313 CB LEU A 79 -2.583 6.671 4.729 1.00 34.15 C ATOM 1314 CG LEU A 79 -3.178 8.015 5.196 1.00 34.31 C ATOM 1315 CD1 LEU A 79 -4.632 8.145 4.751 1.00 35.44 C ATOM 1316 CD2 LEU A 79 -3.064 8.178 6.711 1.00 15.21 C ATOM 0 H LEU A 79 -1.732 5.626 6.873 1.00 23.31 H new ATOM 0 HA LEU A 79 -4.260 5.519 5.448 1.00 42.20 H new ATOM 0 HB2 LEU A 79 -1.512 6.683 4.930 1.00 34.15 H new ATOM 0 HB3 LEU A 79 -2.704 6.601 3.648 1.00 34.15 H new ATOM 0 HG LEU A 79 -2.600 8.813 4.730 1.00 34.31 H new ATOM 0 HD11 LEU A 79 -5.032 9.100 5.091 1.00 35.44 H new ATOM 0 HD12 LEU A 79 -4.685 8.095 3.663 1.00 35.44 H new ATOM 0 HD13 LEU A 79 -5.218 7.332 5.181 1.00 35.44 H new ATOM 0 HD21 LEU A 79 -3.493 9.135 7.007 1.00 15.21 H new ATOM 0 HD22 LEU A 79 -3.604 7.370 7.205 1.00 15.21 H new ATOM 0 HD23 LEU A 79 -2.014 8.145 7.003 1.00 15.21 H new ATOM 1328 N ILE A 80 -3.835 3.807 3.631 1.00 21.04 N ATOM 1329 CA ILE A 80 -3.658 2.667 2.723 1.00 11.52 C ATOM 1330 C ILE A 80 -3.980 3.045 1.267 1.00 51.32 C ATOM 1331 O ILE A 80 -5.120 3.361 0.934 1.00 22.22 O ATOM 1332 CB ILE A 80 -4.537 1.463 3.158 1.00 23.12 C ATOM 1333 CG1 ILE A 80 -4.148 1.013 4.579 1.00 73.01 C ATOM 1334 CG2 ILE A 80 -4.404 0.306 2.163 1.00 3.51 C ATOM 1335 CD1 ILE A 80 -4.928 -0.184 5.087 1.00 20.21 C ATOM 0 H ILE A 80 -4.740 4.271 3.552 1.00 21.04 H new ATOM 0 HA ILE A 80 -2.609 2.378 2.779 1.00 11.52 H new ATOM 0 HB ILE A 80 -5.581 1.777 3.166 1.00 23.12 H new ATOM 0 HG12 ILE A 80 -3.085 0.773 4.594 1.00 73.01 H new ATOM 0 HG13 ILE A 80 -4.296 1.847 5.265 1.00 73.01 H new ATOM 0 HG21 ILE A 80 -5.028 -0.527 2.488 1.00 3.51 H new ATOM 0 HG22 ILE A 80 -4.725 0.637 1.175 1.00 3.51 H new ATOM 0 HG23 ILE A 80 -3.364 -0.017 2.117 1.00 3.51 H new ATOM 0 HD11 ILE A 80 -4.593 -0.436 6.093 1.00 20.21 H new ATOM 0 HD12 ILE A 80 -5.991 0.057 5.108 1.00 20.21 H new ATOM 0 HD13 ILE A 80 -4.761 -1.034 4.426 1.00 20.21 H new ATOM 1347 N ILE A 81 -2.965 3.019 0.406 1.00 63.41 N ATOM 1348 CA ILE A 81 -3.143 3.327 -1.019 1.00 14.23 C ATOM 1349 C ILE A 81 -3.284 2.044 -1.845 1.00 61.52 C ATOM 1350 O ILE A 81 -2.471 1.131 -1.728 1.00 3.04 O ATOM 1351 CB ILE A 81 -1.954 4.155 -1.573 1.00 54.10 C ATOM 1352 CG1 ILE A 81 -1.810 5.475 -0.798 1.00 24.53 C ATOM 1353 CG2 ILE A 81 -2.129 4.418 -3.070 1.00 64.52 C ATOM 1354 CD1 ILE A 81 -0.689 6.365 -1.301 1.00 35.42 C ATOM 0 H ILE A 81 -2.007 2.788 0.667 1.00 63.41 H new ATOM 0 HA ILE A 81 -4.056 3.916 -1.104 1.00 14.23 H new ATOM 0 HB ILE A 81 -1.039 3.578 -1.437 1.00 54.10 H new ATOM 0 HG12 ILE A 81 -2.750 6.024 -0.857 1.00 24.53 H new ATOM 0 HG13 ILE A 81 -1.637 5.250 0.254 1.00 24.53 H new ATOM 0 HG21 ILE A 81 -1.284 5.000 -3.438 1.00 64.52 H new ATOM 0 HG22 ILE A 81 -2.175 3.468 -3.603 1.00 64.52 H new ATOM 0 HG23 ILE A 81 -3.052 4.973 -3.236 1.00 64.52 H new ATOM 0 HD11 ILE A 81 -0.652 7.276 -0.704 1.00 35.42 H new ATOM 0 HD12 ILE A 81 0.261 5.837 -1.217 1.00 35.42 H new ATOM 0 HD13 ILE A 81 -0.869 6.622 -2.345 1.00 35.42 H new ATOM 1366 N ILE A 82 -4.315 1.980 -2.682 1.00 21.24 N ATOM 1367 CA ILE A 82 -4.557 0.801 -3.523 1.00 74.22 C ATOM 1368 C ILE A 82 -4.406 1.135 -5.014 1.00 34.42 C ATOM 1369 O ILE A 82 -5.029 2.072 -5.521 1.00 24.20 O ATOM 1370 CB ILE A 82 -5.967 0.209 -3.270 1.00 43.05 C ATOM 1371 CG1 ILE A 82 -6.150 -0.127 -1.780 1.00 22.33 C ATOM 1372 CG2 ILE A 82 -6.197 -1.032 -4.133 1.00 44.30 C ATOM 1373 CD1 ILE A 82 -7.521 -0.675 -1.443 1.00 5.13 C ATOM 0 H ILE A 82 -4.999 2.728 -2.800 1.00 21.24 H new ATOM 0 HA ILE A 82 -3.806 0.059 -3.250 1.00 74.22 H new ATOM 0 HB ILE A 82 -6.708 0.959 -3.549 1.00 43.05 H new ATOM 0 HG12 ILE A 82 -5.395 -0.856 -1.486 1.00 22.33 H new ATOM 0 HG13 ILE A 82 -5.973 0.772 -1.190 1.00 22.33 H new ATOM 0 HG21 ILE A 82 -7.193 -1.431 -3.939 1.00 44.30 H new ATOM 0 HG22 ILE A 82 -6.112 -0.764 -5.186 1.00 44.30 H new ATOM 0 HG23 ILE A 82 -5.450 -1.788 -3.890 1.00 44.30 H new ATOM 0 HD11 ILE A 82 -7.575 -0.888 -0.375 1.00 5.13 H new ATOM 0 HD12 ILE A 82 -8.281 0.061 -1.705 1.00 5.13 H new ATOM 0 HD13 ILE A 82 -7.695 -1.592 -2.006 1.00 5.13 H new ATOM 1385 N TYR A 83 -3.575 0.364 -5.709 1.00 62.13 N ATOM 1386 CA TYR A 83 -3.345 0.557 -7.146 1.00 33.55 C ATOM 1387 C TYR A 83 -3.813 -0.658 -7.962 1.00 61.54 C ATOM 1388 O TYR A 83 -3.284 -1.759 -7.811 1.00 63.55 O ATOM 1389 CB TYR A 83 -1.855 0.816 -7.414 1.00 33.30 C ATOM 1390 CG TYR A 83 -1.514 0.952 -8.890 1.00 55.13 C ATOM 1391 CD1 TYR A 83 -1.736 2.148 -9.568 1.00 61.31 C ATOM 1392 CD2 TYR A 83 -0.978 -0.115 -9.608 1.00 14.14 C ATOM 1393 CE1 TYR A 83 -1.434 2.276 -10.909 1.00 43.22 C ATOM 1394 CE2 TYR A 83 -0.677 0.008 -10.952 1.00 14.33 C ATOM 1395 CZ TYR A 83 -0.907 1.206 -11.596 1.00 62.32 C ATOM 1396 OH TYR A 83 -0.614 1.334 -12.937 1.00 71.14 O ATOM 0 H TYR A 83 -3.045 -0.406 -5.302 1.00 62.13 H new ATOM 0 HA TYR A 83 -3.929 1.422 -7.460 1.00 33.55 H new ATOM 0 HB2 TYR A 83 -1.555 1.726 -6.895 1.00 33.30 H new ATOM 0 HB3 TYR A 83 -1.271 -0.000 -6.989 1.00 33.30 H new ATOM 0 HD1 TYR A 83 -2.152 2.990 -9.035 1.00 61.31 H new ATOM 0 HD2 TYR A 83 -0.795 -1.054 -9.106 1.00 14.14 H new ATOM 0 HE1 TYR A 83 -1.611 3.212 -11.417 1.00 43.22 H new ATOM 0 HE2 TYR A 83 -0.264 -0.829 -11.495 1.00 14.33 H new ATOM 0 HH TYR A 83 -0.248 0.490 -13.274 1.00 71.14 H new ATOM 1406 N ASP A 84 -4.793 -0.443 -8.834 1.00 3.33 N ATOM 1407 CA ASP A 84 -5.284 -1.496 -9.728 1.00 13.40 C ATOM 1408 C ASP A 84 -5.778 -0.893 -11.055 1.00 60.30 C ATOM 1409 O ASP A 84 -6.006 0.311 -11.155 1.00 51.11 O ATOM 1410 CB ASP A 84 -6.397 -2.302 -9.044 1.00 42.05 C ATOM 1411 CG ASP A 84 -6.926 -3.420 -9.924 1.00 42.11 C ATOM 1412 OD1 ASP A 84 -6.102 -4.171 -10.495 1.00 44.33 O ATOM 1413 OD2 ASP A 84 -8.155 -3.527 -10.086 1.00 53.43 O ATOM 0 H ASP A 84 -5.267 0.453 -8.944 1.00 3.33 H new ATOM 0 HA ASP A 84 -4.460 -2.174 -9.952 1.00 13.40 H new ATOM 0 HB2 ASP A 84 -6.017 -2.724 -8.114 1.00 42.05 H new ATOM 0 HB3 ASP A 84 -7.216 -1.633 -8.779 1.00 42.05 H new ATOM 1418 N GLN A 85 -5.920 -1.734 -12.077 1.00 24.43 N ATOM 1419 CA GLN A 85 -6.318 -1.279 -13.417 1.00 71.34 C ATOM 1420 C GLN A 85 -7.776 -1.645 -13.742 1.00 14.03 C ATOM 1421 O GLN A 85 -8.254 -1.410 -14.856 1.00 44.40 O ATOM 1422 CB GLN A 85 -5.376 -1.888 -14.463 1.00 43.23 C ATOM 1423 CG GLN A 85 -3.908 -1.539 -14.242 1.00 40.13 C ATOM 1424 CD GLN A 85 -3.632 -0.048 -14.355 1.00 41.20 C ATOM 1425 OE1 GLN A 85 -3.317 0.461 -15.424 1.00 63.14 O ATOM 1426 NE2 GLN A 85 -3.761 0.668 -13.259 1.00 72.35 N ATOM 0 H GLN A 85 -5.766 -2.740 -12.007 1.00 24.43 H new ATOM 0 HA GLN A 85 -6.245 -0.192 -13.438 1.00 71.34 H new ATOM 0 HB2 GLN A 85 -5.488 -2.972 -14.453 1.00 43.23 H new ATOM 0 HB3 GLN A 85 -5.677 -1.546 -15.453 1.00 43.23 H new ATOM 0 HG2 GLN A 85 -3.601 -1.887 -13.255 1.00 40.13 H new ATOM 0 HG3 GLN A 85 -3.299 -2.073 -14.972 1.00 40.13 H new ATOM 0 HE21 GLN A 85 -4.025 0.217 -12.383 1.00 72.35 H new ATOM 0 HE22 GLN A 85 -3.598 1.674 -13.285 1.00 72.35 H new ATOM 1435 N ASP A 86 -8.481 -2.225 -12.775 1.00 23.13 N ATOM 1436 CA ASP A 86 -9.881 -2.606 -12.961 1.00 62.52 C ATOM 1437 C ASP A 86 -10.791 -1.795 -12.016 1.00 71.53 C ATOM 1438 O ASP A 86 -10.832 -2.041 -10.811 1.00 55.44 O ATOM 1439 CB ASP A 86 -10.038 -4.114 -12.717 1.00 23.24 C ATOM 1440 CG ASP A 86 -11.308 -4.675 -13.323 1.00 63.42 C ATOM 1441 OD1 ASP A 86 -12.406 -4.372 -12.815 1.00 73.44 O ATOM 1442 OD2 ASP A 86 -11.218 -5.435 -14.312 1.00 30.31 O ATOM 0 H ASP A 86 -8.106 -2.443 -11.852 1.00 23.13 H new ATOM 0 HA ASP A 86 -10.183 -2.383 -13.984 1.00 62.52 H new ATOM 0 HB2 ASP A 86 -9.178 -4.637 -13.136 1.00 23.24 H new ATOM 0 HB3 ASP A 86 -10.036 -4.306 -11.644 1.00 23.24 H new ATOM 1447 N GLN A 87 -11.531 -0.837 -12.580 1.00 70.53 N ATOM 1448 CA GLN A 87 -12.342 0.106 -11.787 1.00 72.54 C ATOM 1449 C GLN A 87 -13.371 -0.604 -10.883 1.00 23.43 C ATOM 1450 O GLN A 87 -13.887 -0.011 -9.932 1.00 54.33 O ATOM 1451 CB GLN A 87 -13.062 1.097 -12.716 1.00 60.24 C ATOM 1452 CG GLN A 87 -12.121 1.880 -13.630 1.00 4.31 C ATOM 1453 CD GLN A 87 -12.834 2.955 -14.440 1.00 61.00 C ATOM 1454 OE1 GLN A 87 -14.014 2.833 -14.761 1.00 2.53 O ATOM 1455 NE2 GLN A 87 -12.120 4.008 -14.791 1.00 32.23 N ATOM 0 H GLN A 87 -11.589 -0.689 -13.588 1.00 70.53 H new ATOM 0 HA GLN A 87 -11.653 0.641 -11.133 1.00 72.54 H new ATOM 0 HB2 GLN A 87 -13.778 0.551 -13.330 1.00 60.24 H new ATOM 0 HB3 GLN A 87 -13.633 1.800 -12.110 1.00 60.24 H new ATOM 0 HG2 GLN A 87 -11.341 2.345 -13.027 1.00 4.31 H new ATOM 0 HG3 GLN A 87 -11.626 1.188 -14.311 1.00 4.31 H new ATOM 0 HE21 GLN A 87 -11.143 4.079 -14.508 1.00 32.23 H new ATOM 0 HE22 GLN A 87 -12.546 4.751 -15.345 1.00 32.23 H new ATOM 1464 N ASN A 88 -13.670 -1.865 -11.184 1.00 0.14 N ATOM 1465 CA ASN A 88 -14.606 -2.654 -10.375 1.00 64.31 C ATOM 1466 C ASN A 88 -13.904 -3.304 -9.170 1.00 44.42 C ATOM 1467 O ASN A 88 -14.310 -3.102 -8.026 1.00 2.41 O ATOM 1468 CB ASN A 88 -15.286 -3.720 -11.242 1.00 42.33 C ATOM 1469 CG ASN A 88 -16.267 -3.109 -12.226 1.00 10.05 C ATOM 1470 OD1 ASN A 88 -15.904 -2.719 -13.330 1.00 31.24 O ATOM 1471 ND2 ASN A 88 -17.520 -3.025 -11.833 1.00 65.22 N ATOM 0 H ASN A 88 -13.279 -2.366 -11.982 1.00 0.14 H new ATOM 0 HA ASN A 88 -15.366 -1.977 -9.985 1.00 64.31 H new ATOM 0 HB2 ASN A 88 -14.528 -4.282 -11.787 1.00 42.33 H new ATOM 0 HB3 ASN A 88 -15.809 -4.429 -10.601 1.00 42.33 H new ATOM 0 HD21 ASN A 88 -18.224 -2.626 -12.454 1.00 65.22 H new ATOM 0 HD22 ASN A 88 -17.788 -3.359 -10.907 1.00 65.22 H new ATOM 1478 N ARG A 89 -12.841 -4.067 -9.430 1.00 44.33 N ATOM 1479 CA ARG A 89 -12.089 -4.739 -8.354 1.00 31.50 C ATOM 1480 C ARG A 89 -11.418 -3.717 -7.423 1.00 31.43 C ATOM 1481 O ARG A 89 -11.447 -3.867 -6.196 1.00 31.52 O ATOM 1482 CB ARG A 89 -11.030 -5.694 -8.935 1.00 33.14 C ATOM 1483 CG ARG A 89 -11.591 -7.010 -9.480 1.00 33.11 C ATOM 1484 CD ARG A 89 -12.525 -6.801 -10.667 1.00 52.45 C ATOM 1485 NE ARG A 89 -12.941 -8.066 -11.269 1.00 62.03 N ATOM 1486 CZ ARG A 89 -13.157 -8.236 -12.545 1.00 3.41 C ATOM 1487 NH1 ARG A 89 -13.073 -7.244 -13.370 1.00 2.34 N ATOM 1488 NH2 ARG A 89 -13.467 -9.405 -12.997 1.00 32.31 N ATOM 0 H ARG A 89 -12.478 -4.238 -10.368 1.00 44.33 H new ATOM 0 HA ARG A 89 -12.803 -5.321 -7.771 1.00 31.50 H new ATOM 0 HB2 ARG A 89 -10.498 -5.181 -9.736 1.00 33.14 H new ATOM 0 HB3 ARG A 89 -10.298 -5.919 -8.159 1.00 33.14 H new ATOM 0 HG2 ARG A 89 -10.766 -7.656 -9.781 1.00 33.11 H new ATOM 0 HG3 ARG A 89 -12.129 -7.528 -8.686 1.00 33.11 H new ATOM 0 HD2 ARG A 89 -13.406 -6.248 -10.341 1.00 52.45 H new ATOM 0 HD3 ARG A 89 -12.025 -6.190 -11.418 1.00 52.45 H new ATOM 0 HE ARG A 89 -13.071 -8.868 -10.652 1.00 62.03 H new ATOM 0 HH11 ARG A 89 -12.835 -6.314 -13.026 1.00 2.34 H new ATOM 0 HH12 ARG A 89 -13.244 -7.392 -14.365 1.00 2.34 H new ATOM 0 HH21 ARG A 89 -13.543 -10.196 -12.357 1.00 32.31 H new ATOM 0 HH22 ARG A 89 -13.636 -9.538 -13.994 1.00 32.31 H new ATOM 1502 N LEU A 90 -10.813 -2.689 -8.017 1.00 52.32 N ATOM 1503 CA LEU A 90 -10.181 -1.597 -7.266 1.00 32.24 C ATOM 1504 C LEU A 90 -11.106 -1.056 -6.160 1.00 14.44 C ATOM 1505 O LEU A 90 -10.733 -1.018 -4.985 1.00 2.43 O ATOM 1506 CB LEU A 90 -9.801 -0.460 -8.231 1.00 21.44 C ATOM 1507 CG LEU A 90 -9.135 0.769 -7.586 1.00 73.22 C ATOM 1508 CD1 LEU A 90 -7.804 0.392 -6.940 1.00 42.24 C ATOM 1509 CD2 LEU A 90 -8.939 1.881 -8.616 1.00 41.45 C ATOM 0 H LEU A 90 -10.745 -2.587 -9.030 1.00 52.32 H new ATOM 0 HA LEU A 90 -9.286 -1.992 -6.786 1.00 32.24 H new ATOM 0 HB2 LEU A 90 -9.126 -0.861 -8.987 1.00 21.44 H new ATOM 0 HB3 LEU A 90 -10.702 -0.132 -8.749 1.00 21.44 H new ATOM 0 HG LEU A 90 -9.798 1.140 -6.804 1.00 73.22 H new ATOM 0 HD11 LEU A 90 -7.354 1.277 -6.491 1.00 42.24 H new ATOM 0 HD12 LEU A 90 -7.974 -0.359 -6.169 1.00 42.24 H new ATOM 0 HD13 LEU A 90 -7.133 -0.012 -7.698 1.00 42.24 H new ATOM 0 HD21 LEU A 90 -8.467 2.740 -8.139 1.00 41.45 H new ATOM 0 HD22 LEU A 90 -8.303 1.520 -9.424 1.00 41.45 H new ATOM 0 HD23 LEU A 90 -9.907 2.177 -9.020 1.00 41.45 H new ATOM 1521 N GLU A 91 -12.315 -0.646 -6.544 1.00 74.33 N ATOM 1522 CA GLU A 91 -13.284 -0.099 -5.589 1.00 73.45 C ATOM 1523 C GLU A 91 -13.900 -1.182 -4.690 1.00 15.13 C ATOM 1524 O GLU A 91 -14.114 -0.946 -3.503 1.00 33.34 O ATOM 1525 CB GLU A 91 -14.382 0.685 -6.323 1.00 30.14 C ATOM 1526 CG GLU A 91 -13.948 2.086 -6.745 1.00 13.12 C ATOM 1527 CD GLU A 91 -13.649 2.992 -5.553 1.00 0.05 C ATOM 1528 OE1 GLU A 91 -14.613 3.498 -4.931 1.00 64.32 O ATOM 1529 OE2 GLU A 91 -12.461 3.197 -5.228 1.00 12.31 O ATOM 0 H GLU A 91 -12.648 -0.681 -7.507 1.00 74.33 H new ATOM 0 HA GLU A 91 -12.738 0.582 -4.936 1.00 73.45 H new ATOM 0 HB2 GLU A 91 -14.688 0.126 -7.207 1.00 30.14 H new ATOM 0 HB3 GLU A 91 -15.256 0.763 -5.677 1.00 30.14 H new ATOM 0 HG2 GLU A 91 -13.060 2.014 -7.373 1.00 13.12 H new ATOM 0 HG3 GLU A 91 -14.732 2.538 -7.352 1.00 13.12 H new ATOM 1536 N GLU A 92 -14.176 -2.365 -5.246 1.00 43.31 N ATOM 1537 CA GLU A 92 -14.712 -3.484 -4.451 1.00 14.54 C ATOM 1538 C GLU A 92 -13.857 -3.726 -3.195 1.00 34.13 C ATOM 1539 O GLU A 92 -14.375 -3.807 -2.078 1.00 4.34 O ATOM 1540 CB GLU A 92 -14.785 -4.771 -5.301 1.00 72.44 C ATOM 1541 CG GLU A 92 -15.154 -6.022 -4.499 1.00 32.55 C ATOM 1542 CD GLU A 92 -15.280 -7.280 -5.350 1.00 43.12 C ATOM 1543 OE1 GLU A 92 -14.498 -7.449 -6.311 1.00 13.35 O ATOM 1544 OE2 GLU A 92 -16.161 -8.119 -5.055 1.00 14.04 O ATOM 0 H GLU A 92 -14.040 -2.576 -6.235 1.00 43.31 H new ATOM 0 HA GLU A 92 -15.720 -3.216 -4.135 1.00 14.54 H new ATOM 0 HB2 GLU A 92 -15.519 -4.630 -6.094 1.00 72.44 H new ATOM 0 HB3 GLU A 92 -13.821 -4.932 -5.784 1.00 72.44 H new ATOM 0 HG2 GLU A 92 -14.398 -6.187 -3.732 1.00 32.55 H new ATOM 0 HG3 GLU A 92 -16.098 -5.847 -3.983 1.00 32.55 H new ATOM 1551 N PHE A 93 -12.547 -3.813 -3.386 1.00 10.42 N ATOM 1552 CA PHE A 93 -11.614 -3.993 -2.274 1.00 41.35 C ATOM 1553 C PHE A 93 -11.457 -2.691 -1.464 1.00 42.21 C ATOM 1554 O PHE A 93 -11.380 -2.716 -0.233 1.00 11.42 O ATOM 1555 CB PHE A 93 -10.256 -4.464 -2.813 1.00 50.12 C ATOM 1556 CG PHE A 93 -9.237 -4.747 -1.740 1.00 72.11 C ATOM 1557 CD1 PHE A 93 -9.494 -5.687 -0.752 1.00 2.04 C ATOM 1558 CD2 PHE A 93 -8.024 -4.076 -1.718 1.00 14.44 C ATOM 1559 CE1 PHE A 93 -8.564 -5.949 0.231 1.00 14.20 C ATOM 1560 CE2 PHE A 93 -7.090 -4.334 -0.735 1.00 54.10 C ATOM 1561 CZ PHE A 93 -7.361 -5.271 0.240 1.00 52.04 C ATOM 0 H PHE A 93 -12.102 -3.762 -4.303 1.00 10.42 H new ATOM 0 HA PHE A 93 -12.014 -4.752 -1.601 1.00 41.35 H new ATOM 0 HB2 PHE A 93 -10.405 -5.367 -3.406 1.00 50.12 H new ATOM 0 HB3 PHE A 93 -9.859 -3.703 -3.485 1.00 50.12 H new ATOM 0 HD1 PHE A 93 -10.434 -6.219 -0.753 1.00 2.04 H new ATOM 0 HD2 PHE A 93 -7.807 -3.342 -2.480 1.00 14.44 H new ATOM 0 HE1 PHE A 93 -8.776 -6.684 0.994 1.00 14.20 H new ATOM 0 HE2 PHE A 93 -6.149 -3.803 -0.729 1.00 54.10 H new ATOM 0 HZ PHE A 93 -6.632 -5.475 1.011 1.00 52.04 H new ATOM 1571 N SER A 94 -11.420 -1.558 -2.167 1.00 23.32 N ATOM 1572 CA SER A 94 -11.294 -0.230 -1.536 1.00 55.21 C ATOM 1573 C SER A 94 -12.358 0.014 -0.458 1.00 51.45 C ATOM 1574 O SER A 94 -12.032 0.338 0.689 1.00 54.24 O ATOM 1575 CB SER A 94 -11.405 0.870 -2.598 1.00 72.32 C ATOM 1576 OG SER A 94 -11.411 2.168 -2.017 1.00 2.43 O ATOM 0 H SER A 94 -11.476 -1.528 -3.185 1.00 23.32 H new ATOM 0 HA SER A 94 -10.316 -0.203 -1.056 1.00 55.21 H new ATOM 0 HB2 SER A 94 -10.571 0.788 -3.295 1.00 72.32 H new ATOM 0 HB3 SER A 94 -12.318 0.726 -3.176 1.00 72.32 H new ATOM 0 HG SER A 94 -11.481 2.843 -2.724 1.00 2.43 H new ATOM 1582 N ARG A 95 -13.629 -0.148 -0.826 1.00 12.40 N ATOM 1583 CA ARG A 95 -14.735 0.128 0.096 1.00 50.43 C ATOM 1584 C ARG A 95 -14.637 -0.766 1.340 1.00 73.33 C ATOM 1585 O ARG A 95 -14.950 -0.338 2.451 1.00 30.43 O ATOM 1586 CB ARG A 95 -16.101 -0.071 -0.591 1.00 63.14 C ATOM 1587 CG ARG A 95 -16.211 0.532 -1.995 1.00 51.05 C ATOM 1588 CD ARG A 95 -15.606 1.932 -2.098 1.00 31.43 C ATOM 1589 NE ARG A 95 -16.326 2.930 -1.309 1.00 71.10 N ATOM 1590 CZ ARG A 95 -16.338 4.208 -1.592 1.00 41.23 C ATOM 1591 NH1 ARG A 95 -15.714 4.659 -2.638 1.00 61.24 N ATOM 1592 NH2 ARG A 95 -16.976 5.035 -0.829 1.00 33.04 N ATOM 0 H ARG A 95 -13.919 -0.467 -1.750 1.00 12.40 H new ATOM 0 HA ARG A 95 -14.657 1.171 0.402 1.00 50.43 H new ATOM 0 HB2 ARG A 95 -16.308 -1.139 -0.653 1.00 63.14 H new ATOM 0 HB3 ARG A 95 -16.875 0.367 0.039 1.00 63.14 H new ATOM 0 HG2 ARG A 95 -15.711 -0.126 -2.706 1.00 51.05 H new ATOM 0 HG3 ARG A 95 -17.261 0.575 -2.284 1.00 51.05 H new ATOM 0 HD2 ARG A 95 -14.568 1.897 -1.768 1.00 31.43 H new ATOM 0 HD3 ARG A 95 -15.598 2.241 -3.143 1.00 31.43 H new ATOM 0 HE ARG A 95 -16.848 2.613 -0.492 1.00 71.10 H new ATOM 0 HH11 ARG A 95 -15.209 4.016 -3.247 1.00 61.24 H new ATOM 0 HH12 ARG A 95 -15.729 5.657 -2.850 1.00 61.24 H new ATOM 0 HH21 ARG A 95 -17.471 4.692 -0.006 1.00 33.04 H new ATOM 0 HH22 ARG A 95 -16.985 6.031 -1.051 1.00 33.04 H new ATOM 1606 N GLU A 96 -14.188 -2.005 1.138 1.00 65.54 N ATOM 1607 CA GLU A 96 -13.954 -2.944 2.241 1.00 0.13 C ATOM 1608 C GLU A 96 -12.880 -2.423 3.205 1.00 42.22 C ATOM 1609 O GLU A 96 -13.079 -2.413 4.418 1.00 51.22 O ATOM 1610 CB GLU A 96 -13.550 -4.323 1.689 1.00 30.44 C ATOM 1611 CG GLU A 96 -14.734 -5.246 1.419 1.00 10.30 C ATOM 1612 CD GLU A 96 -15.400 -5.720 2.704 1.00 71.23 C ATOM 1613 OE1 GLU A 96 -16.318 -5.036 3.204 1.00 73.24 O ATOM 1614 OE2 GLU A 96 -14.987 -6.770 3.238 1.00 43.14 O ATOM 0 H GLU A 96 -13.977 -2.386 0.215 1.00 65.54 H new ATOM 0 HA GLU A 96 -14.885 -3.041 2.800 1.00 0.13 H new ATOM 0 HB2 GLU A 96 -12.990 -4.185 0.764 1.00 30.44 H new ATOM 0 HB3 GLU A 96 -12.878 -4.806 2.399 1.00 30.44 H new ATOM 0 HG2 GLU A 96 -15.467 -4.724 0.804 1.00 10.30 H new ATOM 0 HG3 GLU A 96 -14.396 -6.110 0.847 1.00 10.30 H new ATOM 1621 N VAL A 97 -11.746 -1.987 2.660 1.00 74.20 N ATOM 1622 CA VAL A 97 -10.648 -1.459 3.482 1.00 31.23 C ATOM 1623 C VAL A 97 -11.119 -0.306 4.383 1.00 41.20 C ATOM 1624 O VAL A 97 -10.847 -0.294 5.589 1.00 24.34 O ATOM 1625 CB VAL A 97 -9.459 -0.981 2.606 1.00 64.32 C ATOM 1626 CG1 VAL A 97 -8.345 -0.388 3.470 1.00 63.45 C ATOM 1627 CG2 VAL A 97 -8.927 -2.136 1.756 1.00 62.34 C ATOM 0 H VAL A 97 -11.559 -1.987 1.657 1.00 74.20 H new ATOM 0 HA VAL A 97 -10.310 -2.280 4.114 1.00 31.23 H new ATOM 0 HB VAL A 97 -9.819 -0.197 1.940 1.00 64.32 H new ATOM 0 HG11 VAL A 97 -7.524 -0.061 2.832 1.00 63.45 H new ATOM 0 HG12 VAL A 97 -8.732 0.464 4.028 1.00 63.45 H new ATOM 0 HG13 VAL A 97 -7.983 -1.144 4.167 1.00 63.45 H new ATOM 0 HG21 VAL A 97 -8.094 -1.786 1.147 1.00 62.34 H new ATOM 0 HG22 VAL A 97 -8.587 -2.941 2.408 1.00 62.34 H new ATOM 0 HG23 VAL A 97 -9.721 -2.506 1.107 1.00 62.34 H new ATOM 1637 N ARG A 98 -11.850 0.648 3.806 1.00 4.42 N ATOM 1638 CA ARG A 98 -12.371 1.782 4.578 1.00 52.42 C ATOM 1639 C ARG A 98 -13.492 1.324 5.528 1.00 13.51 C ATOM 1640 O ARG A 98 -13.625 1.835 6.642 1.00 31.42 O ATOM 1641 CB ARG A 98 -12.868 2.903 3.641 1.00 24.23 C ATOM 1642 CG ARG A 98 -12.635 4.319 4.185 1.00 63.31 C ATOM 1643 CD ARG A 98 -13.458 4.607 5.438 1.00 41.11 C ATOM 1644 NE ARG A 98 -12.978 5.780 6.166 1.00 70.03 N ATOM 1645 CZ ARG A 98 -13.511 6.216 7.274 1.00 34.42 C ATOM 1646 NH1 ARG A 98 -14.562 5.645 7.774 1.00 33.34 N ATOM 1647 NH2 ARG A 98 -12.986 7.226 7.884 1.00 42.43 N ATOM 0 H ARG A 98 -12.094 0.661 2.816 1.00 4.42 H new ATOM 0 HA ARG A 98 -11.558 2.184 5.182 1.00 52.42 H new ATOM 0 HB2 ARG A 98 -12.366 2.807 2.678 1.00 24.23 H new ATOM 0 HB3 ARG A 98 -13.934 2.765 3.460 1.00 24.23 H new ATOM 0 HG2 ARG A 98 -11.577 4.448 4.412 1.00 63.31 H new ATOM 0 HG3 ARG A 98 -12.887 5.047 3.414 1.00 63.31 H new ATOM 0 HD2 ARG A 98 -14.500 4.759 5.157 1.00 41.11 H new ATOM 0 HD3 ARG A 98 -13.429 3.738 6.096 1.00 41.11 H new ATOM 0 HE ARG A 98 -12.179 6.288 5.785 1.00 70.03 H new ATOM 0 HH11 ARG A 98 -14.982 4.845 7.300 1.00 33.34 H new ATOM 0 HH12 ARG A 98 -14.969 5.996 8.641 1.00 33.34 H new ATOM 0 HH21 ARG A 98 -12.158 7.680 7.499 1.00 42.43 H new ATOM 0 HH22 ARG A 98 -13.400 7.570 8.751 1.00 42.43 H new ATOM 1661 N ARG A 99 -14.284 0.346 5.092 1.00 44.41 N ATOM 1662 CA ARG A 99 -15.366 -0.209 5.917 1.00 64.01 C ATOM 1663 C ARG A 99 -14.806 -0.807 7.224 1.00 74.24 C ATOM 1664 O ARG A 99 -15.495 -0.861 8.242 1.00 30.53 O ATOM 1665 CB ARG A 99 -16.147 -1.269 5.107 1.00 52.01 C ATOM 1666 CG ARG A 99 -17.441 -1.772 5.761 1.00 73.34 C ATOM 1667 CD ARG A 99 -17.209 -2.967 6.684 1.00 1.14 C ATOM 1668 NE ARG A 99 -16.714 -4.139 5.961 1.00 60.52 N ATOM 1669 CZ ARG A 99 -16.421 -5.278 6.523 1.00 44.34 C ATOM 1670 NH1 ARG A 99 -16.545 -5.438 7.802 1.00 53.30 N ATOM 1671 NH2 ARG A 99 -16.011 -6.264 5.797 1.00 13.41 N ATOM 0 H ARG A 99 -14.200 -0.082 4.170 1.00 44.41 H new ATOM 0 HA ARG A 99 -16.051 0.593 6.192 1.00 64.01 H new ATOM 0 HB2 ARG A 99 -16.392 -0.849 4.131 1.00 52.01 H new ATOM 0 HB3 ARG A 99 -15.493 -2.123 4.931 1.00 52.01 H new ATOM 0 HG2 ARG A 99 -17.895 -0.961 6.331 1.00 73.34 H new ATOM 0 HG3 ARG A 99 -18.152 -2.051 4.983 1.00 73.34 H new ATOM 0 HD2 ARG A 99 -16.493 -2.692 7.458 1.00 1.14 H new ATOM 0 HD3 ARG A 99 -18.142 -3.221 7.188 1.00 1.14 H new ATOM 0 HE ARG A 99 -16.590 -4.059 4.952 1.00 60.52 H new ATOM 0 HH11 ARG A 99 -16.876 -4.667 8.383 1.00 53.30 H new ATOM 0 HH12 ARG A 99 -16.312 -6.335 8.229 1.00 53.30 H new ATOM 0 HH21 ARG A 99 -15.917 -6.150 4.788 1.00 13.41 H new ATOM 0 HH22 ARG A 99 -15.781 -7.157 6.233 1.00 13.41 H new ATOM 1685 N ARG A 100 -13.544 -1.234 7.190 1.00 61.45 N ATOM 1686 CA ARG A 100 -12.886 -1.825 8.365 1.00 71.13 C ATOM 1687 C ARG A 100 -12.210 -0.756 9.248 1.00 3.33 C ATOM 1688 O ARG A 100 -11.650 -1.073 10.300 1.00 31.43 O ATOM 1689 CB ARG A 100 -11.872 -2.879 7.900 1.00 51.34 C ATOM 1690 CG ARG A 100 -12.510 -3.922 6.991 1.00 44.42 C ATOM 1691 CD ARG A 100 -11.507 -4.920 6.415 1.00 11.11 C ATOM 1692 NE ARG A 100 -12.100 -5.681 5.312 1.00 4.41 N ATOM 1693 CZ ARG A 100 -11.993 -6.972 5.146 1.00 40.34 C ATOM 1694 NH1 ARG A 100 -11.313 -7.702 5.971 1.00 70.33 N ATOM 1695 NH2 ARG A 100 -12.586 -7.535 4.147 1.00 4.51 N ATOM 0 H ARG A 100 -12.952 -1.183 6.361 1.00 61.45 H new ATOM 0 HA ARG A 100 -13.647 -2.302 8.983 1.00 71.13 H new ATOM 0 HB2 ARG A 100 -11.055 -2.388 7.371 1.00 51.34 H new ATOM 0 HB3 ARG A 100 -11.438 -3.373 8.769 1.00 51.34 H new ATOM 0 HG2 ARG A 100 -13.271 -4.465 7.552 1.00 44.42 H new ATOM 0 HG3 ARG A 100 -13.019 -3.416 6.171 1.00 44.42 H new ATOM 0 HD2 ARG A 100 -10.623 -4.390 6.062 1.00 11.11 H new ATOM 0 HD3 ARG A 100 -11.178 -5.603 7.198 1.00 11.11 H new ATOM 0 HE ARG A 100 -12.639 -5.161 4.619 1.00 4.41 H new ATOM 0 HH11 ARG A 100 -10.848 -7.271 6.770 1.00 70.33 H new ATOM 0 HH12 ARG A 100 -11.242 -8.709 5.822 1.00 70.33 H new ATOM 0 HH21 ARG A 100 -13.133 -6.972 3.495 1.00 4.51 H new ATOM 0 HH22 ARG A 100 -12.508 -8.543 4.009 1.00 4.51 H new ATOM 1709 N GLY A 101 -12.271 0.510 8.816 1.00 73.21 N ATOM 1710 CA GLY A 101 -11.784 1.615 9.646 1.00 55.21 C ATOM 1711 C GLY A 101 -10.592 2.380 9.065 1.00 10.11 C ATOM 1712 O GLY A 101 -10.291 3.490 9.512 1.00 32.24 O ATOM 0 H GLY A 101 -12.647 0.790 7.910 1.00 73.21 H new ATOM 0 HA2 GLY A 101 -12.603 2.316 9.809 1.00 55.21 H new ATOM 0 HA3 GLY A 101 -11.503 1.220 10.622 1.00 55.21 H new ATOM 1716 N PHE A 102 -9.916 1.807 8.072 1.00 33.32 N ATOM 1717 CA PHE A 102 -8.695 2.420 7.522 1.00 3.11 C ATOM 1718 C PHE A 102 -8.991 3.478 6.445 1.00 2.11 C ATOM 1719 O PHE A 102 -9.877 3.307 5.610 1.00 14.11 O ATOM 1720 CB PHE A 102 -7.770 1.343 6.951 1.00 55.14 C ATOM 1721 CG PHE A 102 -7.197 0.426 8.001 1.00 44.13 C ATOM 1722 CD1 PHE A 102 -6.044 0.777 8.691 1.00 62.15 C ATOM 1723 CD2 PHE A 102 -7.811 -0.781 8.300 1.00 35.21 C ATOM 1724 CE1 PHE A 102 -5.517 -0.058 9.656 1.00 62.03 C ATOM 1725 CE2 PHE A 102 -7.286 -1.617 9.265 1.00 21.23 C ATOM 1726 CZ PHE A 102 -6.138 -1.255 9.943 1.00 10.40 C ATOM 0 H PHE A 102 -10.184 0.927 7.631 1.00 33.32 H new ATOM 0 HA PHE A 102 -8.202 2.931 8.349 1.00 3.11 H new ATOM 0 HB2 PHE A 102 -8.323 0.749 6.223 1.00 55.14 H new ATOM 0 HB3 PHE A 102 -6.952 1.824 6.415 1.00 55.14 H new ATOM 0 HD1 PHE A 102 -5.554 1.714 8.470 1.00 62.15 H new ATOM 0 HD2 PHE A 102 -8.708 -1.070 7.773 1.00 35.21 H new ATOM 0 HE1 PHE A 102 -4.620 0.226 10.185 1.00 62.03 H new ATOM 0 HE2 PHE A 102 -7.773 -2.554 9.490 1.00 21.23 H new ATOM 0 HZ PHE A 102 -5.727 -1.909 10.698 1.00 10.40 H new ATOM 1736 N GLU A 103 -8.224 4.569 6.472 1.00 44.44 N ATOM 1737 CA GLU A 103 -8.340 5.638 5.472 1.00 13.34 C ATOM 1738 C GLU A 103 -7.672 5.219 4.149 1.00 22.43 C ATOM 1739 O GLU A 103 -6.452 5.330 3.988 1.00 54.35 O ATOM 1740 CB GLU A 103 -7.698 6.928 6.012 1.00 4.20 C ATOM 1741 CG GLU A 103 -8.333 7.454 7.301 1.00 4.45 C ATOM 1742 CD GLU A 103 -9.649 8.193 7.077 1.00 45.24 C ATOM 1743 OE1 GLU A 103 -10.617 7.577 6.585 1.00 43.12 O ATOM 1744 OE2 GLU A 103 -9.720 9.400 7.399 1.00 1.10 O ATOM 0 H GLU A 103 -7.510 4.738 7.180 1.00 44.44 H new ATOM 0 HA GLU A 103 -9.396 5.822 5.276 1.00 13.34 H new ATOM 0 HB2 GLU A 103 -6.638 6.746 6.191 1.00 4.20 H new ATOM 0 HB3 GLU A 103 -7.764 7.701 5.246 1.00 4.20 H new ATOM 0 HG2 GLU A 103 -8.506 6.618 7.978 1.00 4.45 H new ATOM 0 HG3 GLU A 103 -7.630 8.124 7.795 1.00 4.45 H new ATOM 1751 N VAL A 104 -8.476 4.718 3.215 1.00 20.34 N ATOM 1752 CA VAL A 104 -7.958 4.193 1.947 1.00 74.43 C ATOM 1753 C VAL A 104 -8.000 5.239 0.816 1.00 2.14 C ATOM 1754 O VAL A 104 -8.933 6.036 0.714 1.00 11.35 O ATOM 1755 CB VAL A 104 -8.740 2.927 1.512 1.00 23.30 C ATOM 1756 CG1 VAL A 104 -10.216 3.239 1.291 1.00 12.23 C ATOM 1757 CG2 VAL A 104 -8.123 2.306 0.259 1.00 10.33 C ATOM 0 H VAL A 104 -9.490 4.663 3.309 1.00 20.34 H new ATOM 0 HA VAL A 104 -6.914 3.933 2.124 1.00 74.43 H new ATOM 0 HB VAL A 104 -8.669 2.200 2.321 1.00 23.30 H new ATOM 0 HG11 VAL A 104 -10.738 2.332 0.987 1.00 12.23 H new ATOM 0 HG12 VAL A 104 -10.651 3.615 2.217 1.00 12.23 H new ATOM 0 HG13 VAL A 104 -10.316 3.994 0.511 1.00 12.23 H new ATOM 0 HG21 VAL A 104 -8.690 1.420 -0.025 1.00 10.33 H new ATOM 0 HG22 VAL A 104 -8.148 3.029 -0.556 1.00 10.33 H new ATOM 0 HG23 VAL A 104 -7.090 2.025 0.463 1.00 10.33 H new ATOM 1767 N ARG A 105 -6.967 5.226 -0.024 1.00 71.34 N ATOM 1768 CA ARG A 105 -6.886 6.098 -1.203 1.00 34.14 C ATOM 1769 C ARG A 105 -6.601 5.257 -2.461 1.00 32.04 C ATOM 1770 O ARG A 105 -5.604 4.539 -2.518 1.00 61.01 O ATOM 1771 CB ARG A 105 -5.775 7.147 -1.016 1.00 43.12 C ATOM 1772 CG ARG A 105 -5.924 8.012 0.235 1.00 4.42 C ATOM 1773 CD ARG A 105 -7.166 8.899 0.193 1.00 52.41 C ATOM 1774 NE ARG A 105 -7.207 9.833 1.321 1.00 32.12 N ATOM 1775 CZ ARG A 105 -8.106 10.769 1.474 1.00 30.25 C ATOM 1776 NH1 ARG A 105 -9.090 10.897 0.645 1.00 54.13 N ATOM 1777 NH2 ARG A 105 -8.025 11.577 2.477 1.00 22.25 N ATOM 0 H ARG A 105 -6.160 4.612 0.090 1.00 71.34 H new ATOM 0 HA ARG A 105 -7.840 6.612 -1.323 1.00 34.14 H new ATOM 0 HB2 ARG A 105 -4.813 6.636 -0.976 1.00 43.12 H new ATOM 0 HB3 ARG A 105 -5.755 7.796 -1.891 1.00 43.12 H new ATOM 0 HG2 ARG A 105 -5.972 7.368 1.113 1.00 4.42 H new ATOM 0 HG3 ARG A 105 -5.039 8.638 0.346 1.00 4.42 H new ATOM 0 HD2 ARG A 105 -7.182 9.458 -0.742 1.00 52.41 H new ATOM 0 HD3 ARG A 105 -8.059 8.274 0.206 1.00 52.41 H new ATOM 0 HE ARG A 105 -6.484 9.747 2.036 1.00 32.12 H new ATOM 0 HH11 ARG A 105 -9.176 10.260 -0.147 1.00 54.13 H new ATOM 0 HH12 ARG A 105 -9.781 11.635 0.783 1.00 54.13 H new ATOM 0 HH21 ARG A 105 -7.261 11.484 3.147 1.00 22.25 H new ATOM 0 HH22 ARG A 105 -8.725 12.309 2.600 1.00 22.25 H new ATOM 1791 N THR A 106 -7.474 5.339 -3.461 1.00 34.44 N ATOM 1792 CA THR A 106 -7.322 4.535 -4.688 1.00 45.25 C ATOM 1793 C THR A 106 -6.714 5.339 -5.846 1.00 40.40 C ATOM 1794 O THR A 106 -7.039 6.509 -6.053 1.00 22.04 O ATOM 1795 CB THR A 106 -8.675 3.932 -5.141 1.00 2.05 C ATOM 1796 OG1 THR A 106 -9.689 4.948 -5.187 1.00 72.30 O ATOM 1797 CG2 THR A 106 -9.111 2.816 -4.199 1.00 0.51 C ATOM 0 H THR A 106 -8.292 5.948 -3.454 1.00 34.44 H new ATOM 0 HA THR A 106 -6.634 3.729 -4.433 1.00 45.25 H new ATOM 0 HB THR A 106 -8.540 3.517 -6.140 1.00 2.05 H new ATOM 0 HG1 THR A 106 -10.574 4.527 -5.204 1.00 72.30 H new ATOM 0 HG21 THR A 106 -10.063 2.407 -4.536 1.00 0.51 H new ATOM 0 HG22 THR A 106 -8.358 2.028 -4.196 1.00 0.51 H new ATOM 0 HG23 THR A 106 -9.224 3.214 -3.191 1.00 0.51 H new ATOM 1805 N VAL A 107 -5.815 4.697 -6.596 1.00 42.01 N ATOM 1806 CA VAL A 107 -5.158 5.325 -7.749 1.00 64.13 C ATOM 1807 C VAL A 107 -5.101 4.365 -8.953 1.00 43.13 C ATOM 1808 O VAL A 107 -4.922 3.156 -8.789 1.00 11.03 O ATOM 1809 CB VAL A 107 -3.721 5.790 -7.394 1.00 33.44 C ATOM 1810 CG1 VAL A 107 -3.752 6.917 -6.362 1.00 51.13 C ATOM 1811 CG2 VAL A 107 -2.879 4.618 -6.888 1.00 64.44 C ATOM 0 H VAL A 107 -5.523 3.735 -6.425 1.00 42.01 H new ATOM 0 HA VAL A 107 -5.756 6.196 -8.019 1.00 64.13 H new ATOM 0 HB VAL A 107 -3.258 6.174 -8.303 1.00 33.44 H new ATOM 0 HG11 VAL A 107 -2.733 7.226 -6.130 1.00 51.13 H new ATOM 0 HG12 VAL A 107 -4.305 7.765 -6.766 1.00 51.13 H new ATOM 0 HG13 VAL A 107 -4.241 6.565 -5.453 1.00 51.13 H new ATOM 0 HG21 VAL A 107 -1.876 4.969 -6.646 1.00 64.44 H new ATOM 0 HG22 VAL A 107 -3.342 4.196 -5.996 1.00 64.44 H new ATOM 0 HG23 VAL A 107 -2.819 3.853 -7.662 1.00 64.44 H new ATOM 1821 N THR A 108 -5.251 4.906 -10.165 1.00 53.05 N ATOM 1822 CA THR A 108 -5.293 4.075 -11.383 1.00 75.40 C ATOM 1823 C THR A 108 -4.032 4.224 -12.251 1.00 42.44 C ATOM 1824 O THR A 108 -3.846 3.488 -13.222 1.00 12.33 O ATOM 1825 CB THR A 108 -6.536 4.404 -12.248 1.00 35.24 C ATOM 1826 OG1 THR A 108 -6.558 5.801 -12.601 1.00 52.53 O ATOM 1827 CG2 THR A 108 -7.826 4.049 -11.514 1.00 75.30 C ATOM 0 H THR A 108 -5.345 5.907 -10.334 1.00 53.05 H new ATOM 0 HA THR A 108 -5.348 3.044 -11.032 1.00 75.40 H new ATOM 0 HB THR A 108 -6.469 3.804 -13.156 1.00 35.24 H new ATOM 0 HG1 THR A 108 -5.759 6.242 -12.243 1.00 52.53 H new ATOM 0 HG21 THR A 108 -8.682 4.290 -12.145 1.00 75.30 H new ATOM 0 HG22 THR A 108 -7.833 2.983 -11.285 1.00 75.30 H new ATOM 0 HG23 THR A 108 -7.886 4.619 -10.587 1.00 75.30 H new ATOM 1835 N SER A 109 -3.173 5.180 -11.917 1.00 1.02 N ATOM 1836 CA SER A 109 -1.919 5.395 -12.662 1.00 2.24 C ATOM 1837 C SER A 109 -0.806 5.912 -11.737 1.00 1.34 C ATOM 1838 O SER A 109 -1.084 6.564 -10.728 1.00 54.20 O ATOM 1839 CB SER A 109 -2.137 6.389 -13.817 1.00 2.43 C ATOM 1840 OG SER A 109 -3.114 5.915 -14.736 1.00 11.13 O ATOM 0 H SER A 109 -3.314 5.823 -11.137 1.00 1.02 H new ATOM 0 HA SER A 109 -1.611 4.433 -13.072 1.00 2.24 H new ATOM 0 HB2 SER A 109 -2.451 7.352 -13.415 1.00 2.43 H new ATOM 0 HB3 SER A 109 -1.195 6.554 -14.339 1.00 2.43 H new ATOM 0 HG SER A 109 -3.230 6.569 -15.456 1.00 11.13 H new ATOM 1846 N PRO A 110 0.473 5.625 -12.066 1.00 5.10 N ATOM 1847 CA PRO A 110 1.629 6.091 -11.270 1.00 74.40 C ATOM 1848 C PRO A 110 1.591 7.599 -10.958 1.00 65.11 C ATOM 1849 O PRO A 110 1.958 8.023 -9.863 1.00 65.11 O ATOM 1850 CB PRO A 110 2.828 5.754 -12.167 1.00 63.01 C ATOM 1851 CG PRO A 110 2.372 4.588 -12.976 1.00 12.23 C ATOM 1852 CD PRO A 110 0.902 4.809 -13.225 1.00 40.13 C ATOM 0 HA PRO A 110 1.656 5.617 -10.289 1.00 74.40 H new ATOM 0 HB2 PRO A 110 3.098 6.597 -12.803 1.00 63.01 H new ATOM 0 HB3 PRO A 110 3.709 5.506 -11.575 1.00 63.01 H new ATOM 0 HG2 PRO A 110 2.922 4.525 -13.915 1.00 12.23 H new ATOM 0 HG3 PRO A 110 2.542 3.652 -12.443 1.00 12.23 H new ATOM 0 HD2 PRO A 110 0.728 5.328 -14.168 1.00 40.13 H new ATOM 0 HD3 PRO A 110 0.357 3.866 -13.275 1.00 40.13 H new ATOM 1860 N ASP A 111 1.144 8.403 -11.928 1.00 75.24 N ATOM 1861 CA ASP A 111 1.022 9.853 -11.737 1.00 32.42 C ATOM 1862 C ASP A 111 -0.054 10.208 -10.695 1.00 33.12 C ATOM 1863 O ASP A 111 0.129 11.133 -9.902 1.00 53.54 O ATOM 1864 CB ASP A 111 0.726 10.535 -13.073 1.00 31.10 C ATOM 1865 CG ASP A 111 1.856 10.328 -14.063 1.00 64.24 C ATOM 1866 OD1 ASP A 111 2.837 11.104 -14.026 1.00 12.41 O ATOM 1867 OD2 ASP A 111 1.781 9.374 -14.867 1.00 50.31 O ATOM 0 H ASP A 111 0.861 8.076 -12.852 1.00 75.24 H new ATOM 0 HA ASP A 111 1.974 10.219 -11.352 1.00 32.42 H new ATOM 0 HB2 ASP A 111 -0.201 10.138 -13.488 1.00 31.10 H new ATOM 0 HB3 ASP A 111 0.572 11.602 -12.912 1.00 31.10 H new ATOM 1872 N ASP A 112 -1.170 9.471 -10.694 1.00 22.33 N ATOM 1873 CA ASP A 112 -2.203 9.647 -9.660 1.00 10.21 C ATOM 1874 C ASP A 112 -1.583 9.445 -8.269 1.00 24.24 C ATOM 1875 O ASP A 112 -1.701 10.295 -7.384 1.00 52.33 O ATOM 1876 CB ASP A 112 -3.353 8.643 -9.840 1.00 61.53 C ATOM 1877 CG ASP A 112 -3.938 8.613 -11.240 1.00 24.54 C ATOM 1878 OD1 ASP A 112 -3.849 9.622 -11.964 1.00 14.22 O ATOM 1879 OD2 ASP A 112 -4.490 7.562 -11.623 1.00 60.43 O ATOM 0 H ASP A 112 -1.383 8.754 -11.388 1.00 22.33 H new ATOM 0 HA ASP A 112 -2.602 10.657 -9.756 1.00 10.21 H new ATOM 0 HB2 ASP A 112 -2.993 7.646 -9.587 1.00 61.53 H new ATOM 0 HB3 ASP A 112 -4.146 8.885 -9.132 1.00 61.53 H new ATOM 1884 N PHE A 113 -0.916 8.301 -8.107 1.00 21.23 N ATOM 1885 CA PHE A 113 -0.206 7.960 -6.871 1.00 62.40 C ATOM 1886 C PHE A 113 0.814 9.042 -6.495 1.00 4.31 C ATOM 1887 O PHE A 113 0.876 9.476 -5.350 1.00 44.33 O ATOM 1888 CB PHE A 113 0.496 6.604 -7.040 1.00 72.40 C ATOM 1889 CG PHE A 113 1.473 6.274 -5.939 1.00 43.13 C ATOM 1890 CD1 PHE A 113 1.026 5.869 -4.692 1.00 73.51 C ATOM 1891 CD2 PHE A 113 2.841 6.370 -6.157 1.00 42.32 C ATOM 1892 CE1 PHE A 113 1.922 5.570 -3.684 1.00 54.53 C ATOM 1893 CE2 PHE A 113 3.740 6.071 -5.153 1.00 35.40 C ATOM 1894 CZ PHE A 113 3.281 5.669 -3.915 1.00 74.14 C ATOM 0 H PHE A 113 -0.852 7.584 -8.829 1.00 21.23 H new ATOM 0 HA PHE A 113 -0.934 7.897 -6.062 1.00 62.40 H new ATOM 0 HB2 PHE A 113 -0.259 5.820 -7.088 1.00 72.40 H new ATOM 0 HB3 PHE A 113 1.024 6.597 -7.994 1.00 72.40 H new ATOM 0 HD1 PHE A 113 -0.035 5.786 -4.506 1.00 73.51 H new ATOM 0 HD2 PHE A 113 3.206 6.683 -7.124 1.00 42.32 H new ATOM 0 HE1 PHE A 113 1.560 5.259 -2.715 1.00 54.53 H new ATOM 0 HE2 PHE A 113 4.801 6.152 -5.336 1.00 35.40 H new ATOM 0 HZ PHE A 113 3.982 5.432 -3.129 1.00 74.14 H new ATOM 1904 N LYS A 114 1.601 9.469 -7.477 1.00 75.15 N ATOM 1905 CA LYS A 114 2.626 10.499 -7.281 1.00 53.35 C ATOM 1906 C LYS A 114 2.034 11.799 -6.708 1.00 23.44 C ATOM 1907 O LYS A 114 2.459 12.279 -5.659 1.00 13.22 O ATOM 1908 CB LYS A 114 3.314 10.784 -8.622 1.00 31.13 C ATOM 1909 CG LYS A 114 4.354 11.900 -8.577 1.00 1.02 C ATOM 1910 CD LYS A 114 4.929 12.180 -9.963 1.00 42.04 C ATOM 1911 CE LYS A 114 3.842 12.585 -10.955 1.00 12.10 C ATOM 1912 NZ LYS A 114 4.382 12.824 -12.319 1.00 44.43 N ATOM 0 H LYS A 114 1.550 9.114 -8.432 1.00 75.15 H new ATOM 0 HA LYS A 114 3.350 10.125 -6.557 1.00 53.35 H new ATOM 0 HB2 LYS A 114 3.796 9.870 -8.970 1.00 31.13 H new ATOM 0 HB3 LYS A 114 2.553 11.044 -9.358 1.00 31.13 H new ATOM 0 HG2 LYS A 114 3.899 12.808 -8.180 1.00 1.02 H new ATOM 0 HG3 LYS A 114 5.159 11.622 -7.897 1.00 1.02 H new ATOM 0 HD2 LYS A 114 5.673 12.974 -9.895 1.00 42.04 H new ATOM 0 HD3 LYS A 114 5.443 11.292 -10.330 1.00 42.04 H new ATOM 0 HE2 LYS A 114 3.084 11.803 -10.999 1.00 12.10 H new ATOM 0 HE3 LYS A 114 3.347 13.489 -10.599 1.00 12.10 H new ATOM 0 HZ1 LYS A 114 4.245 13.822 -12.576 1.00 44.43 H new ATOM 0 HZ2 LYS A 114 5.397 12.598 -12.335 1.00 44.43 H new ATOM 0 HZ3 LYS A 114 3.882 12.219 -13.001 1.00 44.43 H new ATOM 1926 N LYS A 115 1.041 12.356 -7.402 1.00 52.54 N ATOM 1927 CA LYS A 115 0.435 13.631 -6.995 1.00 21.43 C ATOM 1928 C LYS A 115 -0.323 13.500 -5.660 1.00 21.33 C ATOM 1929 O LYS A 115 -0.355 14.435 -4.859 1.00 61.14 O ATOM 1930 CB LYS A 115 -0.504 14.156 -8.094 1.00 32.42 C ATOM 1931 CG LYS A 115 0.165 14.292 -9.465 1.00 1.12 C ATOM 1932 CD LYS A 115 1.355 15.259 -9.460 1.00 1.21 C ATOM 1933 CE LYS A 115 0.931 16.725 -9.373 1.00 4.31 C ATOM 1934 NZ LYS A 115 0.387 17.088 -8.038 1.00 20.34 N ATOM 0 H LYS A 115 0.638 11.949 -8.246 1.00 52.54 H new ATOM 0 HA LYS A 115 1.243 14.347 -6.848 1.00 21.43 H new ATOM 0 HB2 LYS A 115 -1.357 13.484 -8.182 1.00 32.42 H new ATOM 0 HB3 LYS A 115 -0.894 15.128 -7.792 1.00 32.42 H new ATOM 0 HG2 LYS A 115 0.504 13.310 -9.796 1.00 1.12 H new ATOM 0 HG3 LYS A 115 -0.572 14.636 -10.190 1.00 1.12 H new ATOM 0 HD2 LYS A 115 2.004 15.023 -8.617 1.00 1.21 H new ATOM 0 HD3 LYS A 115 1.942 15.109 -10.366 1.00 1.21 H new ATOM 0 HE2 LYS A 115 1.788 17.360 -9.596 1.00 4.31 H new ATOM 0 HE3 LYS A 115 0.178 16.927 -10.135 1.00 4.31 H new ATOM 0 HZ1 LYS A 115 0.629 18.076 -7.821 1.00 20.34 H new ATOM 0 HZ2 LYS A 115 -0.647 16.978 -8.043 1.00 20.34 H new ATOM 0 HZ3 LYS A 115 0.798 16.464 -7.314 1.00 20.34 H new ATOM 1948 N SER A 116 -0.924 12.336 -5.425 1.00 54.41 N ATOM 1949 CA SER A 116 -1.622 12.069 -4.157 1.00 40.14 C ATOM 1950 C SER A 116 -0.625 11.910 -2.998 1.00 34.54 C ATOM 1951 O SER A 116 -0.825 12.454 -1.909 1.00 22.30 O ATOM 1952 CB SER A 116 -2.483 10.797 -4.268 1.00 4.32 C ATOM 1953 OG SER A 116 -3.482 10.932 -5.267 1.00 14.45 O ATOM 0 H SER A 116 -0.945 11.562 -6.089 1.00 54.41 H new ATOM 0 HA SER A 116 -2.266 12.924 -3.952 1.00 40.14 H new ATOM 0 HB2 SER A 116 -1.846 9.944 -4.502 1.00 4.32 H new ATOM 0 HB3 SER A 116 -2.953 10.590 -3.307 1.00 4.32 H new ATOM 0 HG SER A 116 -3.087 10.767 -6.149 1.00 14.45 H new ATOM 1959 N LEU A 117 0.460 11.177 -3.256 1.00 53.24 N ATOM 1960 CA LEU A 117 1.467 10.862 -2.233 1.00 13.24 C ATOM 1961 C LEU A 117 2.051 12.134 -1.596 1.00 1.02 C ATOM 1962 O LEU A 117 2.261 12.187 -0.382 1.00 22.22 O ATOM 1963 CB LEU A 117 2.596 10.022 -2.851 1.00 60.13 C ATOM 1964 CG LEU A 117 3.592 9.413 -1.850 1.00 34.44 C ATOM 1965 CD1 LEU A 117 2.895 8.398 -0.946 1.00 4.31 C ATOM 1966 CD2 LEU A 117 4.773 8.774 -2.580 1.00 35.45 C ATOM 0 H LEU A 117 0.668 10.785 -4.175 1.00 53.24 H new ATOM 0 HA LEU A 117 0.973 10.292 -1.446 1.00 13.24 H new ATOM 0 HB2 LEU A 117 2.149 9.214 -3.429 1.00 60.13 H new ATOM 0 HB3 LEU A 117 3.149 10.648 -3.552 1.00 60.13 H new ATOM 0 HG LEU A 117 3.979 10.216 -1.222 1.00 34.44 H new ATOM 0 HD11 LEU A 117 3.617 7.979 -0.245 1.00 4.31 H new ATOM 0 HD12 LEU A 117 2.096 8.892 -0.392 1.00 4.31 H new ATOM 0 HD13 LEU A 117 2.473 7.598 -1.555 1.00 4.31 H new ATOM 0 HD21 LEU A 117 5.464 8.350 -1.852 1.00 35.45 H new ATOM 0 HD22 LEU A 117 4.410 7.985 -3.238 1.00 35.45 H new ATOM 0 HD23 LEU A 117 5.288 9.531 -3.171 1.00 35.45 H new ATOM 1978 N GLU A 118 2.298 13.156 -2.426 1.00 62.45 N ATOM 1979 CA GLU A 118 2.824 14.451 -1.955 1.00 64.23 C ATOM 1980 C GLU A 118 2.057 14.963 -0.722 1.00 40.01 C ATOM 1981 O GLU A 118 2.654 15.436 0.247 1.00 1.15 O ATOM 1982 CB GLU A 118 2.726 15.508 -3.070 1.00 14.02 C ATOM 1983 CG GLU A 118 3.435 15.135 -4.370 1.00 72.54 C ATOM 1984 CD GLU A 118 3.253 16.189 -5.455 1.00 0.25 C ATOM 1985 OE1 GLU A 118 2.141 16.287 -6.018 1.00 4.43 O ATOM 1986 OE2 GLU A 118 4.209 16.935 -5.742 1.00 70.31 O ATOM 0 H GLU A 118 2.142 13.113 -3.433 1.00 62.45 H new ATOM 0 HA GLU A 118 3.866 14.291 -1.679 1.00 64.23 H new ATOM 0 HB2 GLU A 118 1.673 15.691 -3.286 1.00 14.02 H new ATOM 0 HB3 GLU A 118 3.143 16.445 -2.701 1.00 14.02 H new ATOM 0 HG2 GLU A 118 4.499 14.999 -4.174 1.00 72.54 H new ATOM 0 HG3 GLU A 118 3.052 14.179 -4.728 1.00 72.54 H new ATOM 1993 N ARG A 119 0.730 14.858 -0.774 1.00 2.53 N ATOM 1994 CA ARG A 119 -0.139 15.351 0.301 1.00 64.44 C ATOM 1995 C ARG A 119 -0.375 14.284 1.379 1.00 22.00 C ATOM 1996 O ARG A 119 -0.344 14.580 2.574 1.00 45.45 O ATOM 1997 CB ARG A 119 -1.481 15.812 -0.289 1.00 4.15 C ATOM 1998 CG ARG A 119 -1.346 16.970 -1.274 1.00 20.15 C ATOM 1999 CD ARG A 119 -2.680 17.328 -1.928 1.00 65.44 C ATOM 2000 NE ARG A 119 -3.706 17.696 -0.948 1.00 54.51 N ATOM 2001 CZ ARG A 119 -4.187 18.905 -0.801 1.00 62.04 C ATOM 2002 NH1 ARG A 119 -3.685 19.901 -1.461 1.00 1.12 N ATOM 2003 NH2 ARG A 119 -5.152 19.122 0.031 1.00 42.14 N ATOM 0 H ARG A 119 0.228 14.433 -1.554 1.00 2.53 H new ATOM 0 HA ARG A 119 0.362 16.193 0.778 1.00 64.44 H new ATOM 0 HB2 ARG A 119 -1.956 14.970 -0.793 1.00 4.15 H new ATOM 0 HB3 ARG A 119 -2.143 16.112 0.524 1.00 4.15 H new ATOM 0 HG2 ARG A 119 -0.952 17.843 -0.754 1.00 20.15 H new ATOM 0 HG3 ARG A 119 -0.624 16.706 -2.046 1.00 20.15 H new ATOM 0 HD2 ARG A 119 -2.530 18.156 -2.621 1.00 65.44 H new ATOM 0 HD3 ARG A 119 -3.032 16.480 -2.516 1.00 65.44 H new ATOM 0 HE ARG A 119 -4.069 16.962 -0.340 1.00 54.51 H new ATOM 0 HH11 ARG A 119 -2.907 19.747 -2.103 1.00 1.12 H new ATOM 0 HH12 ARG A 119 -4.068 20.839 -1.339 1.00 1.12 H new ATOM 0 HH21 ARG A 119 -5.540 18.351 0.574 1.00 42.14 H new ATOM 0 HH22 ARG A 119 -5.525 20.064 0.144 1.00 42.14 H new ATOM 2017 N LEU A 120 -0.594 13.042 0.953 1.00 33.35 N ATOM 2018 CA LEU A 120 -0.874 11.938 1.882 1.00 33.24 C ATOM 2019 C LEU A 120 0.259 11.741 2.904 1.00 22.42 C ATOM 2020 O LEU A 120 0.001 11.542 4.090 1.00 63.22 O ATOM 2021 CB LEU A 120 -1.125 10.640 1.105 1.00 0.12 C ATOM 2022 CG LEU A 120 -2.359 10.661 0.186 1.00 65.32 C ATOM 2023 CD1 LEU A 120 -2.486 9.351 -0.584 1.00 20.33 C ATOM 2024 CD2 LEU A 120 -3.629 10.941 0.987 1.00 4.45 C ATOM 0 H LEU A 120 -0.584 12.770 -0.030 1.00 33.35 H new ATOM 0 HA LEU A 120 -1.772 12.201 2.440 1.00 33.24 H new ATOM 0 HB2 LEU A 120 -0.245 10.420 0.501 1.00 0.12 H new ATOM 0 HB3 LEU A 120 -1.235 9.823 1.818 1.00 0.12 H new ATOM 0 HG LEU A 120 -2.227 11.467 -0.535 1.00 65.32 H new ATOM 0 HD11 LEU A 120 -3.366 9.390 -1.226 1.00 20.33 H new ATOM 0 HD12 LEU A 120 -1.596 9.201 -1.196 1.00 20.33 H new ATOM 0 HD13 LEU A 120 -2.587 8.524 0.119 1.00 20.33 H new ATOM 0 HD21 LEU A 120 -4.488 10.951 0.316 1.00 4.45 H new ATOM 0 HD22 LEU A 120 -3.764 10.163 1.738 1.00 4.45 H new ATOM 0 HD23 LEU A 120 -3.542 11.909 1.480 1.00 4.45 H new ATOM 2036 N ILE A 121 1.511 11.805 2.441 1.00 11.41 N ATOM 2037 CA ILE A 121 2.672 11.722 3.341 1.00 32.44 C ATOM 2038 C ILE A 121 2.608 12.805 4.429 1.00 53.15 C ATOM 2039 O ILE A 121 2.920 12.555 5.597 1.00 72.02 O ATOM 2040 CB ILE A 121 4.011 11.847 2.565 1.00 31.52 C ATOM 2041 CG1 ILE A 121 4.247 10.598 1.699 1.00 12.43 C ATOM 2042 CG2 ILE A 121 5.187 12.075 3.520 1.00 15.53 C ATOM 2043 CD1 ILE A 121 5.556 10.615 0.936 1.00 33.25 C ATOM 0 H ILE A 121 1.749 11.913 1.455 1.00 11.41 H new ATOM 0 HA ILE A 121 2.635 10.740 3.812 1.00 32.44 H new ATOM 0 HB ILE A 121 3.942 12.716 1.911 1.00 31.52 H new ATOM 0 HG12 ILE A 121 4.222 9.715 2.338 1.00 12.43 H new ATOM 0 HG13 ILE A 121 3.426 10.500 0.989 1.00 12.43 H new ATOM 0 HG21 ILE A 121 6.110 12.158 2.947 1.00 15.53 H new ATOM 0 HG22 ILE A 121 5.025 12.994 4.083 1.00 15.53 H new ATOM 0 HG23 ILE A 121 5.263 11.235 4.210 1.00 15.53 H new ATOM 0 HD11 ILE A 121 5.647 9.700 0.350 1.00 33.25 H new ATOM 0 HD12 ILE A 121 5.577 11.477 0.269 1.00 33.25 H new ATOM 0 HD13 ILE A 121 6.386 10.680 1.639 1.00 33.25 H new ATOM 2055 N ARG A 122 2.187 14.005 4.040 1.00 65.53 N ATOM 2056 CA ARG A 122 2.039 15.115 4.982 1.00 42.43 C ATOM 2057 C ARG A 122 0.941 14.820 6.016 1.00 24.31 C ATOM 2058 O ARG A 122 1.111 15.080 7.207 1.00 22.14 O ATOM 2059 CB ARG A 122 1.719 16.412 4.226 1.00 3.33 C ATOM 2060 CG ARG A 122 2.809 16.830 3.242 1.00 43.13 C ATOM 2061 CD ARG A 122 2.425 18.092 2.476 1.00 12.30 C ATOM 2062 NE ARG A 122 2.143 19.213 3.371 1.00 31.43 N ATOM 2063 CZ ARG A 122 1.677 20.369 2.983 1.00 0.55 C ATOM 2064 NH1 ARG A 122 1.460 20.613 1.730 1.00 70.54 N ATOM 2065 NH2 ARG A 122 1.439 21.289 3.857 1.00 33.31 N ATOM 0 H ARG A 122 1.941 14.236 3.077 1.00 65.53 H new ATOM 0 HA ARG A 122 2.983 15.236 5.514 1.00 42.43 H new ATOM 0 HB2 ARG A 122 0.781 16.285 3.685 1.00 3.33 H new ATOM 0 HB3 ARG A 122 1.565 17.215 4.947 1.00 3.33 H new ATOM 0 HG2 ARG A 122 3.740 17.001 3.782 1.00 43.13 H new ATOM 0 HG3 ARG A 122 2.994 16.019 2.538 1.00 43.13 H new ATOM 0 HD2 ARG A 122 3.234 18.364 1.798 1.00 12.30 H new ATOM 0 HD3 ARG A 122 1.548 17.890 1.861 1.00 12.30 H new ATOM 0 HE ARG A 122 2.323 19.083 4.367 1.00 31.43 H new ATOM 0 HH11 ARG A 122 1.653 19.897 1.030 1.00 70.54 H new ATOM 0 HH12 ARG A 122 1.096 21.521 1.443 1.00 70.54 H new ATOM 0 HH21 ARG A 122 1.615 21.111 4.846 1.00 33.31 H new ATOM 0 HH22 ARG A 122 1.075 22.194 3.559 1.00 33.31 H new ATOM 2079 N GLU A 123 -0.178 14.260 5.560 1.00 5.13 N ATOM 2080 CA GLU A 123 -1.303 13.945 6.451 1.00 24.05 C ATOM 2081 C GLU A 123 -0.950 12.833 7.453 1.00 31.33 C ATOM 2082 O GLU A 123 -1.280 12.928 8.636 1.00 45.54 O ATOM 2083 CB GLU A 123 -2.542 13.542 5.640 1.00 21.40 C ATOM 2084 CG GLU A 123 -3.066 14.641 4.719 1.00 3.21 C ATOM 2085 CD GLU A 123 -4.398 14.284 4.075 1.00 14.14 C ATOM 2086 OE1 GLU A 123 -4.401 13.585 3.041 1.00 35.40 O ATOM 2087 OE2 GLU A 123 -5.453 14.698 4.607 1.00 11.54 O ATOM 0 H GLU A 123 -0.334 14.014 4.582 1.00 5.13 H new ATOM 0 HA GLU A 123 -1.523 14.850 7.018 1.00 24.05 H new ATOM 0 HB2 GLU A 123 -2.301 12.664 5.041 1.00 21.40 H new ATOM 0 HB3 GLU A 123 -3.335 13.250 6.328 1.00 21.40 H new ATOM 0 HG2 GLU A 123 -3.178 15.563 5.289 1.00 3.21 H new ATOM 0 HG3 GLU A 123 -2.331 14.836 3.938 1.00 3.21 H new ATOM 2094 N VAL A 124 -0.285 11.780 6.976 1.00 23.03 N ATOM 2095 CA VAL A 124 0.096 10.650 7.838 1.00 10.11 C ATOM 2096 C VAL A 124 1.302 10.998 8.732 1.00 24.41 C ATOM 2097 O VAL A 124 1.491 10.409 9.802 1.00 4.11 O ATOM 2098 CB VAL A 124 0.412 9.380 7.003 1.00 30.44 C ATOM 2099 CG1 VAL A 124 1.659 9.573 6.142 1.00 53.11 C ATOM 2100 CG2 VAL A 124 0.552 8.156 7.907 1.00 42.32 C ATOM 0 H VAL A 124 0.002 11.682 6.002 1.00 23.03 H new ATOM 0 HA VAL A 124 -0.761 10.443 8.479 1.00 10.11 H new ATOM 0 HB VAL A 124 -0.427 9.209 6.329 1.00 30.44 H new ATOM 0 HG11 VAL A 124 1.851 8.665 5.571 1.00 53.11 H new ATOM 0 HG12 VAL A 124 1.503 10.406 5.457 1.00 53.11 H new ATOM 0 HG13 VAL A 124 2.514 9.786 6.783 1.00 53.11 H new ATOM 0 HG21 VAL A 124 0.773 7.278 7.300 1.00 42.32 H new ATOM 0 HG22 VAL A 124 1.362 8.319 8.618 1.00 42.32 H new ATOM 0 HG23 VAL A 124 -0.380 7.996 8.450 1.00 42.32 H new ATOM 2110 N GLY A 125 2.118 11.950 8.283 1.00 53.42 N ATOM 2111 CA GLY A 125 3.262 12.396 9.070 1.00 24.04 C ATOM 2112 C GLY A 125 2.883 13.393 10.161 1.00 3.23 C ATOM 2113 O GLY A 125 3.311 13.268 11.310 1.00 41.11 O ATOM 0 H GLY A 125 2.009 12.423 7.386 1.00 53.42 H new ATOM 0 HA2 GLY A 125 3.741 11.530 9.527 1.00 24.04 H new ATOM 0 HA3 GLY A 125 3.996 12.853 8.407 1.00 24.04 H new ATOM 2117 N SER A 126 2.073 14.384 9.798 1.00 45.15 N ATOM 2118 CA SER A 126 1.642 15.421 10.744 1.00 72.15 C ATOM 2119 C SER A 126 0.206 15.184 11.232 1.00 75.32 C ATOM 2120 O SER A 126 -0.761 15.399 10.502 1.00 40.03 O ATOM 2121 CB SER A 126 1.741 16.817 10.107 1.00 24.23 C ATOM 2122 OG SER A 126 0.873 16.950 8.989 1.00 23.31 O ATOM 0 H SER A 126 1.699 14.495 8.856 1.00 45.15 H new ATOM 0 HA SER A 126 2.311 15.366 11.602 1.00 72.15 H new ATOM 0 HB2 SER A 126 1.494 17.574 10.851 1.00 24.23 H new ATOM 0 HB3 SER A 126 2.768 17.001 9.793 1.00 24.23 H new ATOM 0 HG SER A 126 1.152 16.330 8.283 1.00 23.31 H new ATOM 2128 N LEU A 127 0.077 14.744 12.480 1.00 3.10 N ATOM 2129 CA LEU A 127 -1.240 14.547 13.113 1.00 54.43 C ATOM 2130 C LEU A 127 -1.839 15.877 13.621 1.00 41.35 C ATOM 2131 O LEU A 127 -2.828 15.892 14.357 1.00 1.43 O ATOM 2132 CB LEU A 127 -1.122 13.517 14.257 1.00 33.03 C ATOM 2133 CG LEU A 127 0.129 13.637 15.157 1.00 50.53 C ATOM 2134 CD1 LEU A 127 0.151 14.956 15.927 1.00 20.34 C ATOM 2135 CD2 LEU A 127 0.213 12.448 16.114 1.00 10.25 C ATOM 0 H LEU A 127 0.867 14.514 13.082 1.00 3.10 H new ATOM 0 HA LEU A 127 -1.925 14.161 12.358 1.00 54.43 H new ATOM 0 HB2 LEU A 127 -2.007 13.602 14.887 1.00 33.03 H new ATOM 0 HB3 LEU A 127 -1.136 12.518 13.821 1.00 33.03 H new ATOM 0 HG LEU A 127 1.005 13.627 14.508 1.00 50.53 H new ATOM 0 HD11 LEU A 127 1.046 15.000 16.547 1.00 20.34 H new ATOM 0 HD12 LEU A 127 0.156 15.788 15.223 1.00 20.34 H new ATOM 0 HD13 LEU A 127 -0.733 15.022 16.561 1.00 20.34 H new ATOM 0 HD21 LEU A 127 1.099 12.547 16.741 1.00 10.25 H new ATOM 0 HD22 LEU A 127 -0.676 12.424 16.744 1.00 10.25 H new ATOM 0 HD23 LEU A 127 0.276 11.523 15.541 1.00 10.25 H new ATOM 2147 N GLU A 128 -1.254 16.990 13.174 1.00 15.21 N ATOM 2148 CA GLU A 128 -1.643 18.336 13.620 1.00 43.05 C ATOM 2149 C GLU A 128 -2.964 18.808 12.986 1.00 30.30 C ATOM 2150 O GLU A 128 -3.284 19.998 13.022 1.00 13.32 O ATOM 2151 CB GLU A 128 -0.517 19.326 13.279 1.00 41.40 C ATOM 2152 CG GLU A 128 -0.222 19.430 11.784 1.00 35.33 C ATOM 2153 CD GLU A 128 0.952 20.346 11.475 1.00 43.12 C ATOM 2154 OE1 GLU A 128 2.099 19.859 11.442 1.00 43.32 O ATOM 2155 OE2 GLU A 128 0.735 21.557 11.265 1.00 51.10 O ATOM 0 H GLU A 128 -0.496 16.987 12.492 1.00 15.21 H new ATOM 0 HA GLU A 128 -1.803 18.296 14.698 1.00 43.05 H new ATOM 0 HB2 GLU A 128 -0.786 20.312 13.657 1.00 41.40 H new ATOM 0 HB3 GLU A 128 0.391 19.022 13.799 1.00 41.40 H new ATOM 0 HG2 GLU A 128 -0.014 18.435 11.390 1.00 35.33 H new ATOM 0 HG3 GLU A 128 -1.109 19.798 11.268 1.00 35.33 H new ATOM 2162 N HIS A 129 -3.731 17.876 12.414 1.00 40.42 N ATOM 2163 CA HIS A 129 -5.033 18.205 11.827 1.00 21.20 C ATOM 2164 C HIS A 129 -5.941 18.854 12.880 1.00 13.42 C ATOM 2165 O HIS A 129 -6.431 18.188 13.796 1.00 44.25 O ATOM 2166 CB HIS A 129 -5.691 16.950 11.234 1.00 75.34 C ATOM 2167 CG HIS A 129 -4.888 16.331 10.127 1.00 32.25 C ATOM 2168 ND1 HIS A 129 -4.811 14.972 9.911 1.00 70.41 N ATOM 2169 CD2 HIS A 129 -4.114 16.902 9.173 1.00 55.33 C ATOM 2170 CE1 HIS A 129 -4.026 14.734 8.878 1.00 11.54 C ATOM 2171 NE2 HIS A 129 -3.589 15.888 8.412 1.00 71.53 N ATOM 0 H HIS A 129 -3.474 16.891 12.345 1.00 40.42 H new ATOM 0 HA HIS A 129 -4.881 18.919 11.018 1.00 21.20 H new ATOM 0 HB2 HIS A 129 -5.835 16.214 12.025 1.00 75.34 H new ATOM 0 HB3 HIS A 129 -6.680 17.210 10.856 1.00 75.34 H new ATOM 0 HD1 HIS A 129 -5.288 14.260 10.465 1.00 70.41 H new ATOM 0 HD2 HIS A 129 -3.942 17.959 9.037 1.00 55.33 H new ATOM 0 HE1 HIS A 129 -3.782 13.760 8.481 1.00 11.54 H new ATOM 2180 N HIS A 130 -6.135 20.162 12.750 1.00 30.22 N ATOM 2181 CA HIS A 130 -6.827 20.959 13.767 1.00 24.45 C ATOM 2182 C HIS A 130 -8.339 20.685 13.801 1.00 72.04 C ATOM 2183 O HIS A 130 -9.032 20.808 12.788 1.00 15.32 O ATOM 2184 CB HIS A 130 -6.569 22.449 13.520 1.00 2.21 C ATOM 2185 CG HIS A 130 -5.111 22.800 13.482 1.00 12.53 C ATOM 2186 ND1 HIS A 130 -4.329 22.906 14.610 1.00 25.14 N ATOM 2187 CD2 HIS A 130 -4.286 23.043 12.437 1.00 41.54 C ATOM 2188 CE1 HIS A 130 -3.092 23.197 14.262 1.00 31.25 C ATOM 2189 NE2 HIS A 130 -3.038 23.284 12.951 1.00 73.14 N ATOM 0 H HIS A 130 -5.821 20.701 11.943 1.00 30.22 H new ATOM 0 HA HIS A 130 -6.427 20.667 14.738 1.00 24.45 H new ATOM 0 HB2 HIS A 130 -7.030 22.739 12.576 1.00 2.21 H new ATOM 0 HB3 HIS A 130 -7.055 23.030 14.304 1.00 2.21 H new ATOM 0 HD2 HIS A 130 -4.560 23.046 11.392 1.00 41.54 H new ATOM 0 HE1 HIS A 130 -2.263 23.340 14.939 1.00 31.25 H new ATOM 0 HE2 HIS A 130 -2.203 23.496 12.405 1.00 73.14 H new ATOM 2198 N HIS A 131 -8.841 20.321 14.982 1.00 22.35 N ATOM 2199 CA HIS A 131 -10.276 20.112 15.178 1.00 31.41 C ATOM 2200 C HIS A 131 -11.019 21.455 15.154 1.00 13.41 C ATOM 2201 O HIS A 131 -11.237 22.088 16.191 1.00 41.31 O ATOM 2202 CB HIS A 131 -10.545 19.364 16.491 1.00 72.44 C ATOM 2203 CG HIS A 131 -9.924 17.999 16.541 1.00 12.24 C ATOM 2204 ND1 HIS A 131 -9.142 17.559 17.589 1.00 20.50 N ATOM 2205 CD2 HIS A 131 -9.981 16.967 15.663 1.00 31.51 C ATOM 2206 CE1 HIS A 131 -8.746 16.323 17.353 1.00 3.02 C ATOM 2207 NE2 HIS A 131 -9.241 15.942 16.194 1.00 65.22 N ATOM 0 H HIS A 131 -8.276 20.165 15.816 1.00 22.35 H new ATOM 0 HA HIS A 131 -10.649 19.497 14.359 1.00 31.41 H new ATOM 0 HB2 HIS A 131 -10.165 19.958 17.322 1.00 72.44 H new ATOM 0 HB3 HIS A 131 -11.622 19.270 16.632 1.00 72.44 H new ATOM 0 HD2 HIS A 131 -10.510 16.955 14.722 1.00 31.51 H new ATOM 0 HE1 HIS A 131 -8.122 15.725 18.001 1.00 3.02 H new ATOM 0 HE2 HIS A 131 -9.097 15.030 15.760 1.00 65.22 H new ATOM 2216 N HIS A 132 -11.369 21.887 13.947 1.00 52.42 N ATOM 2217 CA HIS A 132 -12.010 23.187 13.725 1.00 4.30 C ATOM 2218 C HIS A 132 -13.417 23.260 14.340 1.00 73.55 C ATOM 2219 O HIS A 132 -14.320 22.522 13.948 1.00 63.22 O ATOM 2220 CB HIS A 132 -12.065 23.486 12.218 1.00 24.24 C ATOM 2221 CG HIS A 132 -12.587 22.348 11.388 1.00 2.12 C ATOM 2222 ND1 HIS A 132 -11.771 21.377 10.847 1.00 71.34 N ATOM 2223 CD2 HIS A 132 -13.845 22.029 11.004 1.00 61.24 C ATOM 2224 CE1 HIS A 132 -12.502 20.517 10.169 1.00 71.41 C ATOM 2225 NE2 HIS A 132 -13.762 20.886 10.246 1.00 2.43 N ATOM 0 H HIS A 132 -11.218 21.350 13.093 1.00 52.42 H new ATOM 0 HA HIS A 132 -11.407 23.943 14.228 1.00 4.30 H new ATOM 0 HB2 HIS A 132 -12.695 24.360 12.054 1.00 24.24 H new ATOM 0 HB3 HIS A 132 -11.064 23.745 11.873 1.00 24.24 H new ATOM 0 HD2 HIS A 132 -14.746 22.572 11.248 1.00 61.24 H new ATOM 0 HE1 HIS A 132 -12.129 19.653 9.638 1.00 71.41 H new ATOM 0 HE2 HIS A 132 -14.549 20.403 9.814 1.00 2.43 H new ATOM 2234 N HIS A 133 -13.589 24.160 15.306 1.00 54.21 N ATOM 2235 CA HIS A 133 -14.888 24.374 15.958 1.00 51.21 C ATOM 2236 C HIS A 133 -15.791 25.302 15.123 1.00 51.53 C ATOM 2237 O HIS A 133 -15.383 25.804 14.071 1.00 22.13 O ATOM 2238 CB HIS A 133 -14.680 24.971 17.358 1.00 43.14 C ATOM 2239 CG HIS A 133 -13.988 26.304 17.349 1.00 24.23 C ATOM 2240 ND1 HIS A 133 -12.622 26.447 17.457 1.00 51.23 N ATOM 2241 CD2 HIS A 133 -14.480 27.563 17.227 1.00 2.43 C ATOM 2242 CE1 HIS A 133 -12.306 27.723 17.405 1.00 62.24 C ATOM 2243 NE2 HIS A 133 -13.412 28.421 17.265 1.00 70.30 N ATOM 0 H HIS A 133 -12.842 24.758 15.659 1.00 54.21 H new ATOM 0 HA HIS A 133 -15.384 23.407 16.043 1.00 51.21 H new ATOM 0 HB2 HIS A 133 -15.649 25.078 17.845 1.00 43.14 H new ATOM 0 HB3 HIS A 133 -14.097 24.273 17.958 1.00 43.14 H new ATOM 0 HD2 HIS A 133 -15.519 27.837 17.120 1.00 2.43 H new ATOM 0 HE1 HIS A 133 -11.307 28.129 17.467 1.00 62.24 H new ATOM 0 HE2 HIS A 133 -13.466 29.437 17.196 1.00 70.30 H new ATOM 2252 N HIS A 134 -17.013 25.536 15.607 1.00 21.45 N ATOM 2253 CA HIS A 134 -17.953 26.453 14.941 1.00 52.22 C ATOM 2254 C HIS A 134 -19.142 26.806 15.863 1.00 44.12 C ATOM 2255 O HIS A 134 -19.072 27.844 16.560 1.00 37.59 O ATOM 2256 CB HIS A 134 -18.454 25.838 13.621 1.00 75.51 C ATOM 2257 CG HIS A 134 -19.258 26.785 12.784 1.00 24.42 C ATOM 2258 ND1 HIS A 134 -18.692 27.816 12.070 1.00 42.50 N ATOM 2259 CD2 HIS A 134 -20.591 26.858 12.547 1.00 63.21 C ATOM 2260 CE1 HIS A 134 -19.631 28.480 11.433 1.00 34.40 C ATOM 2261 NE2 HIS A 134 -20.789 27.921 11.704 1.00 14.02 N ATOM 2262 OXT HIS A 134 -20.136 26.045 15.896 1.00 37.59 O ATOM 0 H HIS A 134 -17.378 25.106 16.457 1.00 21.45 H new ATOM 0 HA HIS A 134 -17.421 27.378 14.718 1.00 52.22 H new ATOM 0 HB2 HIS A 134 -17.597 25.493 13.042 1.00 75.51 H new ATOM 0 HB3 HIS A 134 -19.061 24.961 13.846 1.00 75.51 H new ATOM 0 HD2 HIS A 134 -21.352 26.204 12.946 1.00 63.21 H new ATOM 0 HE1 HIS A 134 -19.477 29.338 10.796 1.00 34.40 H new ATOM 0 HE2 HIS A 134 -21.692 28.229 11.344 1.00 14.02 H new TER 2271 HIS A 134