USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 950 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 101 ASN : amide:sc= -0.334 K(o=0.11,f=-1.4) USER MOD Set 1.2: A 105 SER OG : rot 82:sc= 0.441 USER MOD Set 2.1: A 90 LYS NZ :NH3+ 143:sc= 0.0395 (180deg=0) USER MOD Set 2.2: A 111 SER OG : rot 19:sc= 0.769 USER MOD Set 3.1: A 1 MET CE :methyl -145:sc= -0.638 (180deg=-1.06) USER MOD Set 3.2: A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.595 (180deg=-0.111) USER MOD Single : A 8 SER OG : rot 180:sc= 0.021 USER MOD Single : A 10 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -85:sc= 1.47 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0078 USER MOD Single : A 20 HIS : no HD1:sc= -0.487 K(o=-0.49,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.682 X(o=-0.68,f=-0.86) USER MOD Single : A 35 ASN : amide:sc= 0.613 K(o=0.61,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0526 K(o=-0.053,f=-2.4!) USER MOD Single : A 49 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.3) USER MOD Single : A 51 HIS : no HD1:sc= -0.0706 X(o=-0.071,f=0.0069) USER MOD Single : A 53 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=-0.32) USER MOD Single : A 58 ASN : amide:sc= -0.0066 K(o=-0.0066,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 140:sc= 1.28 (180deg=0.933) USER MOD Single : A 84 MET CE :methyl 178:sc= -0.0819 (180deg=-0.0967) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -93:sc= 0.0538 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS :FLIP no HD1:sc= -0.0762 F(o=-0.72,f=-0.076) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0231 K(o=-0.023,f=-0.9) USER MOD Single : A 121 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.0069) USER MOD Single : A 123 HIS : no HD1:sc= -0.293 K(o=-0.29,f=-0.96) USER MOD Single : A 124 HIS : no HE2:sc= 0.55 K(o=0.55,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.177 -9.518 -4.822 1.00 0.00 N ATOM 2 CA MET A 1 -3.567 -8.244 -4.211 1.00 0.00 C ATOM 3 C MET A 1 -2.491 -7.810 -3.231 1.00 0.00 C ATOM 4 O MET A 1 -2.054 -8.611 -2.398 1.00 0.00 O ATOM 5 CB MET A 1 -4.966 -8.337 -3.586 1.00 0.00 C ATOM 6 CG MET A 1 -5.478 -6.993 -3.040 1.00 0.00 C ATOM 7 SD MET A 1 -7.129 -6.542 -3.645 1.00 0.00 S ATOM 8 CE MET A 1 -7.127 -4.782 -3.229 1.00 0.00 C ATOM 0 H1 MET A 1 -3.183 -9.423 -5.858 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.222 -9.778 -4.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.850 -10.259 -4.539 1.00 0.00 H new ATOM 0 HA MET A 1 -3.643 -7.470 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.667 -8.708 -4.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.947 -9.067 -2.777 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.499 -7.037 -1.951 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.773 -6.208 -3.313 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.131 -4.477 -2.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.436 -4.604 -2.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.813 -4.203 -4.098 1.00 0.00 H new ATOM 18 N ILE A 2 -2.046 -6.553 -3.326 1.00 0.00 N ATOM 19 CA ILE A 2 -1.038 -5.947 -2.455 1.00 0.00 C ATOM 20 C ILE A 2 -1.542 -4.539 -2.124 1.00 0.00 C ATOM 21 O ILE A 2 -2.202 -3.920 -2.964 1.00 0.00 O ATOM 22 CB ILE A 2 0.349 -5.902 -3.133 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.635 -7.172 -3.948 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.468 -5.648 -2.131 1.00 0.00 C ATOM 25 CD1 ILE A 2 2.045 -7.313 -4.517 1.00 0.00 C ATOM 0 H ILE A 2 -2.391 -5.908 -4.037 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.905 -6.539 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 2 0.321 -5.060 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.435 -8.036 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.073 -7.213 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.425 -5.625 -2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.302 -4.692 -1.634 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.479 -6.446 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.122 -8.249 -5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.253 -6.477 -5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.768 -7.314 -3.701 1.00 0.00 H new ATOM 37 N ILE A 3 -1.215 -4.044 -0.933 1.00 0.00 N ATOM 38 CA ILE A 3 -1.694 -2.842 -0.271 1.00 0.00 C ATOM 39 C ILE A 3 -0.449 -2.087 0.152 1.00 0.00 C ATOM 40 O ILE A 3 0.234 -2.524 1.071 1.00 0.00 O ATOM 41 CB ILE A 3 -2.518 -3.220 0.978 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.794 -3.994 0.623 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.908 -1.985 1.796 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.142 -5.019 1.714 1.00 0.00 C ATOM 0 H ILE A 3 -0.535 -4.531 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.332 -2.248 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.869 -3.862 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.623 -3.297 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.660 -4.505 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.487 -2.293 2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.007 -1.467 2.124 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.508 -1.315 1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.051 -5.553 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.322 -5.729 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.300 -4.503 2.661 1.00 0.00 H new ATOM 56 N ALA A 4 -0.123 -0.992 -0.524 1.00 0.00 N ATOM 57 CA ALA A 4 0.973 -0.145 -0.034 1.00 0.00 C ATOM 58 C ALA A 4 0.473 0.792 1.047 1.00 0.00 C ATOM 59 O ALA A 4 -0.665 1.264 0.990 1.00 0.00 O ATOM 60 CB ALA A 4 1.679 0.665 -1.117 1.00 0.00 C ATOM 0 H ALA A 4 -0.577 -0.673 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 4 1.714 -0.837 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.473 1.261 -0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.108 -0.012 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.961 1.326 -1.603 1.00 0.00 H new ATOM 66 N ILE A 5 1.370 1.138 1.963 1.00 0.00 N ATOM 67 CA ILE A 5 1.156 2.098 3.030 1.00 0.00 C ATOM 68 C ILE A 5 2.456 2.908 3.071 1.00 0.00 C ATOM 69 O ILE A 5 3.526 2.315 3.235 1.00 0.00 O ATOM 70 CB ILE A 5 0.814 1.381 4.361 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.555 0.673 4.264 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.739 2.401 5.512 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.766 -0.459 5.265 1.00 0.00 C ATOM 0 H ILE A 5 2.308 0.737 1.979 1.00 0.00 H new ATOM 0 HA ILE A 5 0.302 2.754 2.864 1.00 0.00 H new ATOM 0 HB ILE A 5 1.599 0.649 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.342 1.414 4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.670 0.274 3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.498 1.884 6.441 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.700 2.904 5.615 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.035 3.138 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.755 -0.894 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.006 -1.226 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.688 -0.067 6.279 1.00 0.00 H new ATOM 85 N PRO A 6 2.417 4.228 2.834 1.00 0.00 N ATOM 86 CA PRO A 6 3.610 5.051 2.865 1.00 0.00 C ATOM 87 C PRO A 6 3.964 5.281 4.337 1.00 0.00 C ATOM 88 O PRO A 6 3.166 5.884 5.061 1.00 0.00 O ATOM 89 CB PRO A 6 3.212 6.319 2.104 1.00 0.00 C ATOM 90 CG PRO A 6 1.720 6.475 2.380 1.00 0.00 C ATOM 91 CD PRO A 6 1.233 5.039 2.583 1.00 0.00 C ATOM 0 HA PRO A 6 4.499 4.622 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.773 7.185 2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.410 6.221 1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.539 7.087 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.208 6.957 1.547 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.539 4.980 3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.699 4.683 1.702 1.00 0.00 H new ATOM 99 N VAL A 7 5.119 4.804 4.806 1.00 0.00 N ATOM 100 CA VAL A 7 5.511 4.865 6.217 1.00 0.00 C ATOM 101 C VAL A 7 6.753 5.722 6.387 1.00 0.00 C ATOM 102 O VAL A 7 7.481 5.954 5.420 1.00 0.00 O ATOM 103 CB VAL A 7 5.683 3.452 6.808 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.319 2.845 7.125 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.547 2.487 5.985 1.00 0.00 C ATOM 0 H VAL A 7 5.817 4.359 4.210 1.00 0.00 H new ATOM 0 HA VAL A 7 4.710 5.342 6.782 1.00 0.00 H new ATOM 0 HB VAL A 7 6.253 3.593 7.726 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.453 1.847 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.800 3.474 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.728 2.780 6.211 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.601 1.524 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.104 2.353 4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.551 2.898 5.879 1.00 0.00 H new ATOM 115 N SER A 8 6.950 6.251 7.597 1.00 0.00 N ATOM 116 CA SER A 8 8.150 7.020 7.912 1.00 0.00 C ATOM 117 C SER A 8 9.435 6.187 8.051 1.00 0.00 C ATOM 118 O SER A 8 10.499 6.710 7.721 1.00 0.00 O ATOM 119 CB SER A 8 7.927 7.879 9.159 1.00 0.00 C ATOM 120 OG SER A 8 7.197 7.235 10.188 1.00 0.00 O ATOM 0 H SER A 8 6.293 6.159 8.372 1.00 0.00 H new ATOM 0 HA SER A 8 8.316 7.659 7.044 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.896 8.184 9.554 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.400 8.788 8.870 1.00 0.00 H new ATOM 0 HG SER A 8 7.097 7.844 10.949 1.00 0.00 H new ATOM 126 N GLU A 9 9.391 4.959 8.582 1.00 0.00 N ATOM 127 CA GLU A 9 10.566 4.216 8.993 1.00 0.00 C ATOM 128 C GLU A 9 10.367 2.741 8.653 1.00 0.00 C ATOM 129 O GLU A 9 9.238 2.245 8.538 1.00 0.00 O ATOM 130 CB GLU A 9 10.804 4.438 10.499 1.00 0.00 C ATOM 131 CG GLU A 9 11.134 5.905 10.809 1.00 0.00 C ATOM 132 CD GLU A 9 11.431 6.194 12.275 1.00 0.00 C ATOM 133 OE1 GLU A 9 12.063 5.363 12.968 1.00 0.00 O ATOM 134 OE2 GLU A 9 11.124 7.326 12.712 1.00 0.00 O ATOM 0 H GLU A 9 8.518 4.454 8.736 1.00 0.00 H new ATOM 0 HA GLU A 9 11.452 4.565 8.462 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.916 4.139 11.056 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.622 3.801 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.996 6.203 10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.296 6.526 10.493 1.00 0.00 H new ATOM 141 N ASN A 10 11.482 2.028 8.508 1.00 0.00 N ATOM 142 CA ASN A 10 11.510 0.602 8.263 1.00 0.00 C ATOM 143 C ASN A 10 11.330 -0.026 9.634 1.00 0.00 C ATOM 144 O ASN A 10 12.302 -0.197 10.380 1.00 0.00 O ATOM 145 CB ASN A 10 12.824 0.159 7.590 1.00 0.00 C ATOM 146 CG ASN A 10 12.711 -1.284 7.107 1.00 0.00 C ATOM 147 OD1 ASN A 10 12.428 -2.201 7.878 1.00 0.00 O ATOM 148 ND2 ASN A 10 12.769 -1.508 5.807 1.00 0.00 N ATOM 0 H ASN A 10 12.412 2.445 8.560 1.00 0.00 H new ATOM 0 HA ASN A 10 10.729 0.291 7.569 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.049 0.815 6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.650 0.250 8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.579 -2.441 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.003 -0.748 5.168 1.00 0.00 H new ATOM 155 N ARG A 11 10.084 -0.255 10.044 1.00 0.00 N ATOM 156 CA ARG A 11 9.795 -0.888 11.321 1.00 0.00 C ATOM 157 C ARG A 11 8.766 -1.995 11.125 1.00 0.00 C ATOM 158 O ARG A 11 7.978 -2.283 12.018 1.00 0.00 O ATOM 159 CB ARG A 11 9.331 0.172 12.340 1.00 0.00 C ATOM 160 CG ARG A 11 10.329 1.320 12.511 1.00 0.00 C ATOM 161 CD ARG A 11 10.181 2.097 13.822 1.00 0.00 C ATOM 162 NE ARG A 11 11.386 2.912 14.055 1.00 0.00 N ATOM 163 CZ ARG A 11 12.560 2.501 14.553 1.00 0.00 C ATOM 164 NH1 ARG A 11 12.703 1.261 15.013 1.00 0.00 N ATOM 165 NH2 ARG A 11 13.572 3.359 14.601 1.00 0.00 N ATOM 0 H ARG A 11 9.255 -0.008 9.503 1.00 0.00 H new ATOM 0 HA ARG A 11 10.698 -1.348 11.723 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.371 0.578 12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.169 -0.307 13.305 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.340 0.918 12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.214 2.013 11.677 1.00 0.00 H new ATOM 0 HD2 ARG A 11 9.300 2.737 13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.032 1.405 14.651 1.00 0.00 H new ATOM 0 HE ARG A 11 11.319 3.900 13.810 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.915 0.614 14.988 1.00 0.00 H new ATOM 0 HH12 ARG A 11 13.601 0.957 15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.448 4.313 14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.473 3.064 14.977 1.00 0.00 H new ATOM 179 N GLY A 12 8.885 -2.721 10.017 1.00 0.00 N ATOM 180 CA GLY A 12 8.064 -3.842 9.606 1.00 0.00 C ATOM 181 C GLY A 12 6.596 -3.582 9.890 1.00 0.00 C ATOM 182 O GLY A 12 5.925 -2.836 9.181 1.00 0.00 O ATOM 0 H GLY A 12 9.616 -2.520 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.204 -4.027 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.384 -4.742 10.130 1.00 0.00 H new ATOM 186 N LYS A 13 6.091 -4.242 10.922 1.00 0.00 N ATOM 187 CA LYS A 13 4.684 -4.219 11.301 1.00 0.00 C ATOM 188 C LYS A 13 4.368 -2.945 12.076 1.00 0.00 C ATOM 189 O LYS A 13 3.315 -2.338 11.883 1.00 0.00 O ATOM 190 CB LYS A 13 4.413 -5.462 12.154 1.00 0.00 C ATOM 191 CG LYS A 13 4.710 -6.756 11.372 1.00 0.00 C ATOM 192 CD LYS A 13 4.729 -7.985 12.278 1.00 0.00 C ATOM 193 CE LYS A 13 5.978 -7.929 13.163 1.00 0.00 C ATOM 194 NZ LYS A 13 6.012 -9.024 14.142 1.00 0.00 N ATOM 0 H LYS A 13 6.662 -4.823 11.535 1.00 0.00 H new ATOM 0 HA LYS A 13 4.046 -4.228 10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.028 -5.429 13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.373 -5.462 12.479 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.957 -6.890 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.673 -6.662 10.869 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.831 -8.013 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.732 -8.895 11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.868 -7.976 12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.008 -6.974 13.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.874 -8.947 14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.176 -8.965 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.010 -9.936 13.643 1.00 0.00 H new ATOM 208 N ASP A 14 5.332 -2.536 12.901 1.00 0.00 N ATOM 209 CA ASP A 14 5.287 -1.366 13.770 1.00 0.00 C ATOM 210 C ASP A 14 5.284 -0.059 12.978 1.00 0.00 C ATOM 211 O ASP A 14 4.968 0.964 13.577 1.00 0.00 O ATOM 212 CB ASP A 14 6.507 -1.263 14.716 1.00 0.00 C ATOM 213 CG ASP A 14 7.080 -2.554 15.282 1.00 0.00 C ATOM 214 OD1 ASP A 14 6.344 -3.315 15.948 1.00 0.00 O ATOM 215 OD2 ASP A 14 8.297 -2.808 15.106 1.00 0.00 O ATOM 0 H ASP A 14 6.213 -3.043 12.983 1.00 0.00 H new ATOM 0 HA ASP A 14 4.366 -1.501 14.337 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.305 -0.751 14.178 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.227 -0.625 15.555 1.00 0.00 H new ATOM 220 N SER A 15 5.694 -0.076 11.698 1.00 0.00 N ATOM 221 CA SER A 15 5.852 1.069 10.799 1.00 0.00 C ATOM 222 C SER A 15 4.744 2.114 11.002 1.00 0.00 C ATOM 223 O SER A 15 3.607 1.871 10.596 1.00 0.00 O ATOM 224 CB SER A 15 6.007 0.567 9.363 1.00 0.00 C ATOM 225 OG SER A 15 7.356 0.209 9.116 1.00 0.00 O ATOM 0 H SER A 15 5.939 -0.952 11.237 1.00 0.00 H new ATOM 0 HA SER A 15 6.767 1.610 11.042 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.358 -0.293 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.694 1.341 8.663 1.00 0.00 H new ATOM 0 HG SER A 15 7.863 1.005 8.853 1.00 0.00 H new ATOM 231 N PRO A 16 5.033 3.260 11.651 1.00 0.00 N ATOM 232 CA PRO A 16 4.044 4.329 11.796 1.00 0.00 C ATOM 233 C PRO A 16 3.753 4.987 10.434 1.00 0.00 C ATOM 234 O PRO A 16 4.673 5.289 9.669 1.00 0.00 O ATOM 235 CB PRO A 16 4.639 5.288 12.835 1.00 0.00 C ATOM 236 CG PRO A 16 6.143 5.022 12.841 1.00 0.00 C ATOM 237 CD PRO A 16 6.276 3.576 12.370 1.00 0.00 C ATOM 0 HA PRO A 16 3.072 3.971 12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.427 6.325 12.575 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.208 5.112 13.820 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.670 5.706 12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.566 5.156 13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.142 3.457 11.719 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.418 2.903 13.216 1.00 0.00 H new ATOM 245 N ILE A 17 2.493 5.191 10.064 1.00 0.00 N ATOM 246 CA ILE A 17 2.142 5.735 8.755 1.00 0.00 C ATOM 247 C ILE A 17 2.717 7.157 8.584 1.00 0.00 C ATOM 248 O ILE A 17 2.778 7.958 9.525 1.00 0.00 O ATOM 249 CB ILE A 17 0.617 5.619 8.550 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.227 5.841 7.075 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.129 6.556 9.507 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.227 5.469 6.769 1.00 0.00 C ATOM 0 H ILE A 17 1.690 4.986 10.658 1.00 0.00 H new ATOM 0 HA ILE A 17 2.602 5.155 7.955 1.00 0.00 H new ATOM 0 HB ILE A 17 0.312 4.601 8.795 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.389 6.888 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.887 5.251 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.203 6.460 9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.110 6.290 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.175 7.586 9.319 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.434 5.650 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.388 4.415 6.995 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.894 6.077 7.379 1.00 0.00 H new ATOM 264 N SER A 18 3.181 7.470 7.374 1.00 0.00 N ATOM 265 CA SER A 18 3.598 8.800 6.952 1.00 0.00 C ATOM 266 C SER A 18 2.353 9.617 6.572 1.00 0.00 C ATOM 267 O SER A 18 1.213 9.180 6.724 1.00 0.00 O ATOM 268 CB SER A 18 4.563 8.664 5.762 1.00 0.00 C ATOM 269 OG SER A 18 5.372 9.817 5.592 1.00 0.00 O ATOM 0 H SER A 18 3.279 6.774 6.635 1.00 0.00 H new ATOM 0 HA SER A 18 4.116 9.319 7.759 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.202 7.793 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.991 8.486 4.851 1.00 0.00 H new ATOM 0 HG SER A 18 5.970 9.687 4.827 1.00 0.00 H new ATOM 275 N GLU A 19 2.562 10.819 6.041 1.00 0.00 N ATOM 276 CA GLU A 19 1.483 11.707 5.631 1.00 0.00 C ATOM 277 C GLU A 19 1.396 11.822 4.108 1.00 0.00 C ATOM 278 O GLU A 19 0.293 11.785 3.545 1.00 0.00 O ATOM 279 CB GLU A 19 1.706 13.085 6.248 1.00 0.00 C ATOM 280 CG GLU A 19 1.367 13.167 7.735 1.00 0.00 C ATOM 281 CD GLU A 19 1.798 14.533 8.266 1.00 0.00 C ATOM 282 OE1 GLU A 19 1.278 15.559 7.773 1.00 0.00 O ATOM 283 OE2 GLU A 19 2.690 14.585 9.137 1.00 0.00 O ATOM 0 H GLU A 19 3.493 11.205 5.883 1.00 0.00 H new ATOM 0 HA GLU A 19 0.540 11.289 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.749 13.369 6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.102 13.815 5.708 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.297 13.024 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.875 12.373 8.282 1.00 0.00 H new ATOM 290 N HIS A 20 2.540 11.995 3.436 1.00 0.00 N ATOM 291 CA HIS A 20 2.639 12.468 2.059 1.00 0.00 C ATOM 292 C HIS A 20 3.337 11.393 1.247 1.00 0.00 C ATOM 293 O HIS A 20 4.559 11.277 1.246 1.00 0.00 O ATOM 294 CB HIS A 20 3.419 13.801 1.966 1.00 0.00 C ATOM 295 CG HIS A 20 3.195 14.803 3.069 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.799 14.761 4.311 1.00 0.00 N ATOM 297 CD2 HIS A 20 2.456 15.952 2.994 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.394 15.842 4.993 1.00 0.00 C ATOM 299 NE2 HIS A 20 2.601 16.593 4.211 1.00 0.00 N ATOM 0 H HIS A 20 3.450 11.802 3.854 1.00 0.00 H new ATOM 0 HA HIS A 20 1.639 12.659 1.670 1.00 0.00 H new ATOM 0 HB2 HIS A 20 4.483 13.569 1.930 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.165 14.277 1.019 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.874 16.292 2.150 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.664 16.073 6.013 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.178 17.484 4.470 1.00 0.00 H new ATOM 308 N PHE A 21 2.528 10.631 0.521 1.00 0.00 N ATOM 309 CA PHE A 21 2.960 9.650 -0.460 1.00 0.00 C ATOM 310 C PHE A 21 4.110 10.170 -1.330 1.00 0.00 C ATOM 311 O PHE A 21 5.082 9.458 -1.558 1.00 0.00 O ATOM 312 CB PHE A 21 1.740 9.337 -1.322 1.00 0.00 C ATOM 313 CG PHE A 21 1.981 8.298 -2.386 1.00 0.00 C ATOM 314 CD1 PHE A 21 2.559 8.646 -3.623 1.00 0.00 C ATOM 315 CD2 PHE A 21 1.607 6.973 -2.134 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.727 7.674 -4.622 1.00 0.00 C ATOM 317 CE2 PHE A 21 1.766 6.011 -3.136 1.00 0.00 C ATOM 318 CZ PHE A 21 2.313 6.355 -4.384 1.00 0.00 C ATOM 0 H PHE A 21 1.513 10.684 0.605 1.00 0.00 H new ATOM 0 HA PHE A 21 3.341 8.761 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.931 8.997 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.402 10.257 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.874 9.663 -3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.199 6.696 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.173 7.940 -5.569 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.465 4.991 -2.949 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.414 5.607 -5.157 1.00 0.00 H new ATOM 328 N GLY A 22 3.997 11.413 -1.817 1.00 0.00 N ATOM 329 CA GLY A 22 4.929 11.961 -2.792 1.00 0.00 C ATOM 330 C GLY A 22 6.374 12.053 -2.299 1.00 0.00 C ATOM 331 O GLY A 22 7.266 12.101 -3.141 1.00 0.00 O ATOM 0 H GLY A 22 3.257 12.059 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.902 11.343 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.592 12.957 -3.080 1.00 0.00 H new ATOM 335 N ARG A 23 6.622 12.041 -0.983 1.00 0.00 N ATOM 336 CA ARG A 23 7.961 11.991 -0.390 1.00 0.00 C ATOM 337 C ARG A 23 8.003 10.905 0.683 1.00 0.00 C ATOM 338 O ARG A 23 8.650 11.088 1.714 1.00 0.00 O ATOM 339 CB ARG A 23 8.299 13.385 0.200 1.00 0.00 C ATOM 340 CG ARG A 23 7.396 13.815 1.382 1.00 0.00 C ATOM 341 CD ARG A 23 8.142 14.057 2.709 1.00 0.00 C ATOM 342 NE ARG A 23 8.367 15.490 2.975 1.00 0.00 N ATOM 343 CZ ARG A 23 7.760 16.260 3.888 1.00 0.00 C ATOM 344 NH1 ARG A 23 6.977 15.734 4.827 1.00 0.00 N ATOM 345 NH2 ARG A 23 7.917 17.577 3.852 1.00 0.00 N ATOM 0 H ARG A 23 5.878 12.066 -0.286 1.00 0.00 H new ATOM 0 HA ARG A 23 8.706 11.744 -1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.337 13.383 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.220 14.130 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.869 14.728 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.639 13.047 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.569 13.624 3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.101 13.540 2.683 1.00 0.00 H new ATOM 0 HE ARG A 23 9.069 15.950 2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.829 14.725 4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.525 16.340 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.499 18.002 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.456 18.165 4.546 1.00 0.00 H new ATOM 359 N ALA A 24 7.349 9.767 0.451 1.00 0.00 N ATOM 360 CA ALA A 24 7.404 8.664 1.394 1.00 0.00 C ATOM 361 C ALA A 24 8.841 8.123 1.402 1.00 0.00 C ATOM 362 O ALA A 24 9.373 7.898 0.312 1.00 0.00 O ATOM 363 CB ALA A 24 6.393 7.592 0.982 1.00 0.00 C ATOM 0 H ALA A 24 6.780 9.591 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 24 7.142 8.988 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.433 6.763 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.390 8.019 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.635 7.229 -0.017 1.00 0.00 H new ATOM 369 N PRO A 25 9.481 7.932 2.566 1.00 0.00 N ATOM 370 CA PRO A 25 10.806 7.321 2.645 1.00 0.00 C ATOM 371 C PRO A 25 10.784 5.801 2.421 1.00 0.00 C ATOM 372 O PRO A 25 11.822 5.238 2.065 1.00 0.00 O ATOM 373 CB PRO A 25 11.333 7.690 4.035 1.00 0.00 C ATOM 374 CG PRO A 25 10.071 7.892 4.861 1.00 0.00 C ATOM 375 CD PRO A 25 9.061 8.436 3.864 1.00 0.00 C ATOM 0 HA PRO A 25 11.454 7.692 1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.959 6.899 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.940 8.595 4.005 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.730 6.956 5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.238 8.590 5.681 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.052 8.102 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.047 9.526 3.875 1.00 0.00 H new ATOM 383 N TYR A 26 9.637 5.135 2.601 1.00 0.00 N ATOM 384 CA TYR A 26 9.448 3.702 2.389 1.00 0.00 C ATOM 385 C TYR A 26 8.008 3.469 1.916 1.00 0.00 C ATOM 386 O TYR A 26 7.127 4.302 2.162 1.00 0.00 O ATOM 387 CB TYR A 26 9.668 2.932 3.703 1.00 0.00 C ATOM 388 CG TYR A 26 10.976 3.195 4.427 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.081 4.293 5.300 1.00 0.00 C ATOM 390 CD2 TYR A 26 12.092 2.367 4.217 1.00 0.00 C ATOM 391 CE1 TYR A 26 12.307 4.611 5.905 1.00 0.00 C ATOM 392 CE2 TYR A 26 13.319 2.673 4.836 1.00 0.00 C ATOM 393 CZ TYR A 26 13.435 3.799 5.676 1.00 0.00 C ATOM 394 OH TYR A 26 14.639 4.111 6.222 1.00 0.00 O ATOM 0 H TYR A 26 8.784 5.601 2.910 1.00 0.00 H new ATOM 0 HA TYR A 26 10.164 3.349 1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.848 3.171 4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.604 1.865 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.210 4.897 5.507 1.00 0.00 H new ATOM 0 HD2 TYR A 26 12.009 1.497 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 26 12.385 5.477 6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 26 14.178 2.040 4.666 1.00 0.00 H new ATOM 0 HH TYR A 26 15.302 3.439 5.958 1.00 0.00 H new ATOM 404 N PHE A 27 7.749 2.313 1.305 1.00 0.00 N ATOM 405 CA PHE A 27 6.407 1.840 0.957 1.00 0.00 C ATOM 406 C PHE A 27 6.246 0.442 1.534 1.00 0.00 C ATOM 407 O PHE A 27 6.931 -0.470 1.083 1.00 0.00 O ATOM 408 CB PHE A 27 6.172 1.827 -0.568 1.00 0.00 C ATOM 409 CG PHE A 27 5.977 3.194 -1.207 1.00 0.00 C ATOM 410 CD1 PHE A 27 4.988 4.069 -0.725 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.743 3.581 -2.322 1.00 0.00 C ATOM 412 CE1 PHE A 27 4.766 5.303 -1.361 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.514 4.812 -2.964 1.00 0.00 C ATOM 414 CZ PHE A 27 5.521 5.681 -2.482 1.00 0.00 C ATOM 0 H PHE A 27 8.485 1.662 1.031 1.00 0.00 H new ATOM 0 HA PHE A 27 5.666 2.521 1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.021 1.339 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.294 1.217 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.397 3.793 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.517 2.924 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.005 5.969 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.101 5.089 -3.827 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.341 6.628 -2.968 1.00 0.00 H new ATOM 424 N ALA A 28 5.382 0.260 2.532 1.00 0.00 N ATOM 425 CA ALA A 28 5.054 -1.057 3.056 1.00 0.00 C ATOM 426 C ALA A 28 3.949 -1.652 2.179 1.00 0.00 C ATOM 427 O ALA A 28 2.772 -1.411 2.430 1.00 0.00 O ATOM 428 CB ALA A 28 4.623 -0.936 4.524 1.00 0.00 C ATOM 0 H ALA A 28 4.892 1.024 2.997 1.00 0.00 H new ATOM 0 HA ALA A 28 5.919 -1.720 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.378 -1.924 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.437 -0.507 5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.747 -0.291 4.594 1.00 0.00 H new ATOM 434 N PHE A 29 4.316 -2.349 1.103 1.00 0.00 N ATOM 435 CA PHE A 29 3.421 -3.155 0.281 1.00 0.00 C ATOM 436 C PHE A 29 3.161 -4.477 1.012 1.00 0.00 C ATOM 437 O PHE A 29 3.971 -5.404 0.975 1.00 0.00 O ATOM 438 CB PHE A 29 4.002 -3.348 -1.136 1.00 0.00 C ATOM 439 CG PHE A 29 3.433 -2.437 -2.229 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.045 -2.277 -2.446 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.312 -1.744 -3.078 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.555 -1.339 -3.365 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.814 -0.903 -4.093 1.00 0.00 C ATOM 444 CZ PHE A 29 2.440 -0.642 -4.196 1.00 0.00 C ATOM 0 H PHE A 29 5.280 -2.367 0.770 1.00 0.00 H new ATOM 0 HA PHE A 29 2.466 -2.649 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.080 -3.194 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.841 -4.384 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.349 -2.890 -1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.379 -1.857 -2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.493 -1.154 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.498 -0.455 -4.799 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.071 0.085 -4.905 1.00 0.00 H new ATOM 454 N VAL A 30 2.032 -4.577 1.705 1.00 0.00 N ATOM 455 CA VAL A 30 1.576 -5.793 2.369 1.00 0.00 C ATOM 456 C VAL A 30 0.674 -6.551 1.400 1.00 0.00 C ATOM 457 O VAL A 30 -0.149 -5.953 0.711 1.00 0.00 O ATOM 458 CB VAL A 30 0.820 -5.426 3.667 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.601 -6.670 4.538 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.578 -4.368 4.493 1.00 0.00 C ATOM 0 H VAL A 30 1.391 -3.793 1.824 1.00 0.00 H new ATOM 0 HA VAL A 30 2.420 -6.425 2.645 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.141 -5.011 3.364 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.067 -6.389 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.014 -7.403 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.566 -7.103 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.013 -4.138 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.559 -4.755 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.698 -3.461 3.900 1.00 0.00 H new ATOM 470 N LYS A 31 0.824 -7.867 1.303 1.00 0.00 N ATOM 471 CA LYS A 31 -0.021 -8.711 0.462 1.00 0.00 C ATOM 472 C LYS A 31 -1.332 -8.995 1.180 1.00 0.00 C ATOM 473 O LYS A 31 -1.722 -8.247 2.075 1.00 0.00 O ATOM 474 CB LYS A 31 0.761 -9.961 0.048 1.00 0.00 C ATOM 475 CG LYS A 31 2.028 -9.548 -0.696 1.00 0.00 C ATOM 476 CD LYS A 31 2.543 -10.638 -1.633 1.00 0.00 C ATOM 477 CE LYS A 31 1.639 -10.724 -2.877 1.00 0.00 C ATOM 478 NZ LYS A 31 2.395 -10.889 -4.134 1.00 0.00 N ATOM 0 H LYS A 31 1.542 -8.384 1.810 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.292 -8.204 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.019 -10.549 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.143 -10.595 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.828 -8.644 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.805 -9.300 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.568 -10.420 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.559 -11.598 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.951 -11.562 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.033 -9.820 -2.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.732 -10.940 -4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.033 -10.078 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.954 -11.765 -4.091 1.00 0.00 H new ATOM 492 N VAL A 32 -2.082 -9.990 0.724 1.00 0.00 N ATOM 493 CA VAL A 32 -3.187 -10.574 1.465 1.00 0.00 C ATOM 494 C VAL A 32 -3.383 -11.987 0.924 1.00 0.00 C ATOM 495 O VAL A 32 -3.128 -12.255 -0.256 1.00 0.00 O ATOM 496 CB VAL A 32 -4.442 -9.683 1.345 1.00 0.00 C ATOM 497 CG1 VAL A 32 -4.951 -9.596 -0.097 1.00 0.00 C ATOM 498 CG2 VAL A 32 -5.585 -10.116 2.263 1.00 0.00 C ATOM 0 H VAL A 32 -1.935 -10.420 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.982 -10.634 2.534 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.114 -8.695 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.835 -8.959 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.173 -9.173 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.208 -10.594 -0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.434 -9.447 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.883 -11.135 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.254 -10.075 3.301 1.00 0.00 H new ATOM 508 N LYS A 33 -3.813 -12.901 1.784 1.00 0.00 N ATOM 509 CA LYS A 33 -4.135 -14.281 1.472 1.00 0.00 C ATOM 510 C LYS A 33 -5.279 -14.653 2.379 1.00 0.00 C ATOM 511 O LYS A 33 -5.127 -14.583 3.594 1.00 0.00 O ATOM 512 CB LYS A 33 -2.928 -15.192 1.733 1.00 0.00 C ATOM 513 CG LYS A 33 -3.201 -16.684 1.516 1.00 0.00 C ATOM 514 CD LYS A 33 -2.645 -17.529 2.669 1.00 0.00 C ATOM 515 CE LYS A 33 -3.634 -17.565 3.838 1.00 0.00 C ATOM 516 NZ LYS A 33 -3.056 -18.304 4.983 1.00 0.00 N ATOM 0 H LYS A 33 -3.953 -12.684 2.771 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.400 -14.399 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.110 -14.886 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.591 -15.042 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.275 -16.850 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.750 -17.005 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.448 -18.543 2.321 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.693 -17.116 3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.884 -16.549 4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.563 -18.040 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.739 -18.319 5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.840 -19.279 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.182 -17.834 5.294 1.00 0.00 H new ATOM 530 N ASN A 34 -6.400 -15.070 1.808 1.00 0.00 N ATOM 531 CA ASN A 34 -7.547 -15.596 2.544 1.00 0.00 C ATOM 532 C ASN A 34 -8.036 -14.633 3.642 1.00 0.00 C ATOM 533 O ASN A 34 -8.504 -15.074 4.691 1.00 0.00 O ATOM 534 CB ASN A 34 -7.278 -17.033 3.028 1.00 0.00 C ATOM 535 CG ASN A 34 -6.927 -17.990 1.884 1.00 0.00 C ATOM 536 OD1 ASN A 34 -7.215 -17.727 0.717 1.00 0.00 O ATOM 537 ND2 ASN A 34 -6.305 -19.120 2.165 1.00 0.00 N ATOM 0 H ASN A 34 -6.543 -15.053 0.798 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.390 -15.665 1.857 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.461 -17.021 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.159 -17.406 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.065 -19.770 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.064 -19.343 3.131 1.00 0.00 H new ATOM 544 N ASN A 35 -7.938 -13.319 3.382 1.00 0.00 N ATOM 545 CA ASN A 35 -8.265 -12.184 4.267 1.00 0.00 C ATOM 546 C ASN A 35 -7.252 -11.950 5.396 1.00 0.00 C ATOM 547 O ASN A 35 -7.556 -11.208 6.331 1.00 0.00 O ATOM 548 CB ASN A 35 -9.672 -12.301 4.874 1.00 0.00 C ATOM 549 CG ASN A 35 -10.385 -10.957 4.930 1.00 0.00 C ATOM 550 OD1 ASN A 35 -11.011 -10.559 3.950 1.00 0.00 O ATOM 551 ND2 ASN A 35 -10.322 -10.233 6.033 1.00 0.00 N ATOM 0 H ASN A 35 -7.601 -12.995 2.475 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.223 -11.320 3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.264 -13.001 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.599 -12.714 5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.797 -9.331 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.799 -10.576 6.839 1.00 0.00 H new ATOM 558 N ALA A 36 -6.077 -12.572 5.348 1.00 0.00 N ATOM 559 CA ALA A 36 -4.992 -12.412 6.305 1.00 0.00 C ATOM 560 C ALA A 36 -3.773 -11.846 5.565 1.00 0.00 C ATOM 561 O ALA A 36 -3.793 -11.761 4.340 1.00 0.00 O ATOM 562 CB ALA A 36 -4.694 -13.765 6.954 1.00 0.00 C ATOM 0 H ALA A 36 -5.847 -13.232 4.605 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.263 -11.717 7.100 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.882 -13.653 7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.585 -14.127 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.402 -14.481 6.185 1.00 0.00 H new ATOM 568 N ILE A 37 -2.706 -11.475 6.276 1.00 0.00 N ATOM 569 CA ILE A 37 -1.665 -10.560 5.815 1.00 0.00 C ATOM 570 C ILE A 37 -0.908 -11.101 4.602 1.00 0.00 C ATOM 571 O ILE A 37 -0.432 -10.313 3.788 1.00 0.00 O ATOM 572 CB ILE A 37 -0.755 -10.223 7.033 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.301 -9.035 7.856 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.708 -9.896 6.684 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.773 -9.124 8.276 1.00 0.00 C ATOM 0 H ILE A 37 -2.539 -11.817 7.222 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.109 -9.635 5.447 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.770 -11.148 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.693 -8.933 8.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.165 -8.123 7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.259 -9.675 7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.162 -10.751 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.740 -9.030 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.043 -8.236 8.847 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.402 -9.189 7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.923 -10.011 8.892 1.00 0.00 H new ATOM 587 N ALA A 38 -0.831 -12.426 4.439 1.00 0.00 N ATOM 588 CA ALA A 38 0.058 -13.153 3.539 1.00 0.00 C ATOM 589 C ALA A 38 1.530 -12.841 3.785 1.00 0.00 C ATOM 590 O ALA A 38 2.304 -13.728 4.154 1.00 0.00 O ATOM 591 CB ALA A 38 -0.297 -12.886 2.078 1.00 0.00 C ATOM 0 H ALA A 38 -1.430 -13.058 4.970 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.091 -14.211 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.382 -13.441 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.321 -13.206 1.888 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.206 -11.820 1.870 1.00 0.00 H new ATOM 597 N ASP A 39 1.955 -11.616 3.504 1.00 0.00 N ATOM 598 CA ASP A 39 3.365 -11.283 3.376 1.00 0.00 C ATOM 599 C ASP A 39 3.603 -9.777 3.420 1.00 0.00 C ATOM 600 O ASP A 39 2.704 -8.999 3.105 1.00 0.00 O ATOM 601 CB ASP A 39 3.874 -11.854 2.044 1.00 0.00 C ATOM 602 CG ASP A 39 5.366 -12.138 2.056 1.00 0.00 C ATOM 603 OD1 ASP A 39 5.892 -12.526 3.123 1.00 0.00 O ATOM 604 OD2 ASP A 39 5.992 -12.049 0.975 1.00 0.00 O ATOM 0 H ASP A 39 1.329 -10.824 3.358 1.00 0.00 H new ATOM 0 HA ASP A 39 3.906 -11.717 4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.336 -12.775 1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.649 -11.150 1.243 1.00 0.00 H new ATOM 609 N ILE A 40 4.820 -9.375 3.779 1.00 0.00 N ATOM 610 CA ILE A 40 5.233 -7.999 4.029 1.00 0.00 C ATOM 611 C ILE A 40 6.400 -7.703 3.072 1.00 0.00 C ATOM 612 O ILE A 40 7.349 -8.491 2.999 1.00 0.00 O ATOM 613 CB ILE A 40 5.640 -7.879 5.528 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.475 -8.115 6.530 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.383 -6.569 5.836 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.616 -6.893 6.895 1.00 0.00 C ATOM 0 H ILE A 40 5.585 -10.037 3.910 1.00 0.00 H new ATOM 0 HA ILE A 40 4.440 -7.273 3.848 1.00 0.00 H new ATOM 0 HB ILE A 40 6.337 -8.703 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.819 -8.879 6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.895 -8.522 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.643 -6.538 6.894 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.293 -6.517 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.741 -5.721 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.840 -7.191 7.600 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.246 -6.129 7.350 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.152 -6.492 5.994 1.00 0.00 H new ATOM 628 N SER A 41 6.358 -6.578 2.356 1.00 0.00 N ATOM 629 CA SER A 41 7.464 -5.986 1.618 1.00 0.00 C ATOM 630 C SER A 41 7.547 -4.516 2.032 1.00 0.00 C ATOM 631 O SER A 41 6.582 -3.785 1.824 1.00 0.00 O ATOM 632 CB SER A 41 7.158 -6.095 0.119 1.00 0.00 C ATOM 633 OG SER A 41 7.437 -7.401 -0.368 1.00 0.00 O ATOM 0 H SER A 41 5.502 -6.029 2.274 1.00 0.00 H new ATOM 0 HA SER A 41 8.408 -6.490 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.110 -5.853 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.752 -5.364 -0.430 1.00 0.00 H new ATOM 0 HG SER A 41 7.232 -7.444 -1.325 1.00 0.00 H new ATOM 639 N VAL A 42 8.650 -4.069 2.636 1.00 0.00 N ATOM 640 CA VAL A 42 8.868 -2.661 2.952 1.00 0.00 C ATOM 641 C VAL A 42 10.263 -2.280 2.467 1.00 0.00 C ATOM 642 O VAL A 42 11.222 -2.251 3.237 1.00 0.00 O ATOM 643 CB VAL A 42 8.647 -2.348 4.446 1.00 0.00 C ATOM 644 CG1 VAL A 42 8.538 -0.826 4.639 1.00 0.00 C ATOM 645 CG2 VAL A 42 7.471 -3.083 5.104 1.00 0.00 C ATOM 0 H VAL A 42 9.418 -4.677 2.919 1.00 0.00 H new ATOM 0 HA VAL A 42 8.127 -2.051 2.435 1.00 0.00 H new ATOM 0 HB VAL A 42 9.521 -2.736 4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.382 -0.603 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.458 -0.349 4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.697 -0.445 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.402 -2.794 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.545 -2.819 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.630 -4.159 5.034 1.00 0.00 H new ATOM 655 N GLU A 43 10.378 -2.036 1.166 1.00 0.00 N ATOM 656 CA GLU A 43 11.627 -1.604 0.550 1.00 0.00 C ATOM 657 C GLU A 43 11.765 -0.086 0.754 1.00 0.00 C ATOM 658 O GLU A 43 10.811 0.595 1.156 1.00 0.00 O ATOM 659 CB GLU A 43 11.683 -2.055 -0.929 1.00 0.00 C ATOM 660 CG GLU A 43 11.219 -3.522 -1.074 1.00 0.00 C ATOM 661 CD GLU A 43 11.469 -4.164 -2.435 1.00 0.00 C ATOM 662 OE1 GLU A 43 12.590 -4.054 -2.981 1.00 0.00 O ATOM 663 OE2 GLU A 43 10.542 -4.820 -2.966 1.00 0.00 O ATOM 0 H GLU A 43 9.605 -2.133 0.507 1.00 0.00 H new ATOM 0 HA GLU A 43 12.489 -2.075 1.023 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.050 -1.407 -1.536 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.700 -1.952 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.722 -4.119 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.151 -3.569 -0.862 1.00 0.00 H new ATOM 670 N GLU A 44 12.934 0.473 0.470 1.00 0.00 N ATOM 671 CA GLU A 44 13.315 1.833 0.823 1.00 0.00 C ATOM 672 C GLU A 44 13.278 2.671 -0.453 1.00 0.00 C ATOM 673 O GLU A 44 13.737 2.227 -1.505 1.00 0.00 O ATOM 674 CB GLU A 44 14.713 1.828 1.475 1.00 0.00 C ATOM 675 CG GLU A 44 14.916 0.670 2.473 1.00 0.00 C ATOM 676 CD GLU A 44 16.254 0.697 3.211 1.00 0.00 C ATOM 677 OE1 GLU A 44 16.554 1.682 3.919 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.951 -0.349 3.181 1.00 0.00 O ATOM 0 H GLU A 44 13.669 -0.027 -0.031 1.00 0.00 H new ATOM 0 HA GLU A 44 12.627 2.264 1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.470 1.762 0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.869 2.775 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.110 0.694 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.830 -0.275 1.936 1.00 0.00 H new ATOM 685 N ASN A 45 12.653 3.847 -0.399 1.00 0.00 N ATOM 686 CA ASN A 45 12.022 4.369 -1.606 1.00 0.00 C ATOM 687 C ASN A 45 13.046 5.011 -2.544 1.00 0.00 C ATOM 688 O ASN A 45 13.720 5.962 -2.148 1.00 0.00 O ATOM 689 CB ASN A 45 10.896 5.356 -1.271 1.00 0.00 C ATOM 690 CG ASN A 45 9.580 4.658 -0.985 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.453 3.444 -1.089 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.562 5.412 -0.634 1.00 0.00 N ATOM 0 H ASN A 45 12.572 4.434 0.431 1.00 0.00 H new ATOM 0 HA ASN A 45 11.579 3.520 -2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.184 5.951 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.764 6.048 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.654 4.987 -0.445 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.680 6.422 -0.551 1.00 0.00 H new ATOM 699 N PRO A 46 13.135 4.561 -3.809 1.00 0.00 N ATOM 700 CA PRO A 46 14.214 4.932 -4.721 1.00 0.00 C ATOM 701 C PRO A 46 14.195 6.395 -5.187 1.00 0.00 C ATOM 702 O PRO A 46 15.166 6.831 -5.812 1.00 0.00 O ATOM 703 CB PRO A 46 14.104 3.950 -5.897 1.00 0.00 C ATOM 704 CG PRO A 46 12.653 3.477 -5.876 1.00 0.00 C ATOM 705 CD PRO A 46 12.319 3.506 -4.395 1.00 0.00 C ATOM 0 HA PRO A 46 15.171 4.863 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.348 4.436 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.794 3.114 -5.780 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.003 4.136 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.546 2.477 -6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.258 3.704 -4.240 1.00 0.00 H new ATOM 0 HD3 PRO A 46 12.535 2.544 -3.929 1.00 0.00 H new ATOM 713 N LEU A 47 13.117 7.144 -4.924 1.00 0.00 N ATOM 714 CA LEU A 47 12.935 8.549 -5.283 1.00 0.00 C ATOM 715 C LEU A 47 12.276 9.310 -4.111 1.00 0.00 C ATOM 716 O LEU A 47 11.427 10.181 -4.318 1.00 0.00 O ATOM 717 CB LEU A 47 12.046 8.593 -6.540 1.00 0.00 C ATOM 718 CG LEU A 47 12.703 8.030 -7.809 1.00 0.00 C ATOM 719 CD1 LEU A 47 11.967 6.809 -8.341 1.00 0.00 C ATOM 720 CD2 LEU A 47 12.867 9.107 -8.876 1.00 0.00 C ATOM 0 H LEU A 47 12.310 6.764 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 47 13.892 9.028 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.132 8.034 -6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.754 9.626 -6.726 1.00 0.00 H new ATOM 0 HG LEU A 47 13.702 7.694 -7.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.467 6.445 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.967 6.026 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.939 7.080 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.335 8.675 -9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.889 9.507 -9.142 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.495 9.910 -8.489 1.00 0.00 H new ATOM 732 N ALA A 48 12.651 9.007 -2.862 1.00 0.00 N ATOM 733 CA ALA A 48 12.073 9.625 -1.664 1.00 0.00 C ATOM 734 C ALA A 48 12.403 11.117 -1.559 1.00 0.00 C ATOM 735 O ALA A 48 11.642 11.882 -0.951 1.00 0.00 O ATOM 736 CB ALA A 48 12.622 8.910 -0.425 1.00 0.00 C ATOM 0 H ALA A 48 13.373 8.317 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 48 10.989 9.529 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.199 9.361 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.350 7.855 -0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.708 9.005 -0.402 1.00 0.00 H new ATOM 742 N GLN A 49 13.542 11.521 -2.122 1.00 0.00 N ATOM 743 CA GLN A 49 14.066 12.879 -2.071 1.00 0.00 C ATOM 744 C GLN A 49 14.459 13.391 -3.459 1.00 0.00 C ATOM 745 O GLN A 49 14.526 14.605 -3.663 1.00 0.00 O ATOM 746 CB GLN A 49 15.215 12.961 -1.045 1.00 0.00 C ATOM 747 CG GLN A 49 16.381 11.966 -1.210 1.00 0.00 C ATOM 748 CD GLN A 49 17.299 12.259 -2.399 1.00 0.00 C ATOM 749 OE1 GLN A 49 17.442 13.398 -2.841 1.00 0.00 O ATOM 750 NE2 GLN A 49 17.951 11.243 -2.932 1.00 0.00 N ATOM 0 H GLN A 49 14.145 10.885 -2.645 1.00 0.00 H new ATOM 0 HA GLN A 49 13.277 13.549 -1.731 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.625 13.970 -1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.790 12.822 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.977 11.969 -0.297 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.972 10.962 -1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 49 17.825 10.303 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.581 11.398 -3.719 1.00 0.00 H new ATOM 759 N ASP A 50 14.665 12.494 -4.426 1.00 0.00 N ATOM 760 CA ASP A 50 15.124 12.846 -5.763 1.00 0.00 C ATOM 761 C ASP A 50 13.915 12.857 -6.681 1.00 0.00 C ATOM 762 O ASP A 50 13.107 11.922 -6.659 1.00 0.00 O ATOM 763 CB ASP A 50 16.174 11.861 -6.279 1.00 0.00 C ATOM 764 CG ASP A 50 17.043 12.567 -7.321 1.00 0.00 C ATOM 765 OD1 ASP A 50 16.471 13.102 -8.296 1.00 0.00 O ATOM 766 OD2 ASP A 50 18.274 12.658 -7.116 1.00 0.00 O ATOM 0 H ASP A 50 14.515 11.493 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 50 15.599 13.827 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.790 11.501 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.690 10.990 -6.720 1.00 0.00 H new ATOM 771 N HIS A 51 13.728 13.941 -7.438 1.00 0.00 N ATOM 772 CA HIS A 51 12.490 14.317 -8.125 1.00 0.00 C ATOM 773 C HIS A 51 11.297 14.526 -7.179 1.00 0.00 C ATOM 774 O HIS A 51 10.624 15.553 -7.286 1.00 0.00 O ATOM 775 CB HIS A 51 12.200 13.403 -9.317 1.00 0.00 C ATOM 776 CG HIS A 51 13.014 13.740 -10.540 1.00 0.00 C ATOM 777 ND1 HIS A 51 12.564 14.415 -11.660 1.00 0.00 N ATOM 778 CD2 HIS A 51 14.334 13.445 -10.728 1.00 0.00 C ATOM 779 CE1 HIS A 51 13.598 14.528 -12.512 1.00 0.00 C ATOM 780 NE2 HIS A 51 14.683 13.961 -11.958 1.00 0.00 N ATOM 0 H HIS A 51 14.476 14.616 -7.597 1.00 0.00 H new ATOM 0 HA HIS A 51 12.657 15.308 -8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 51 12.398 12.370 -9.031 1.00 0.00 H new ATOM 0 HB3 HIS A 51 11.141 13.467 -9.565 1.00 0.00 H new ATOM 0 HD2 HIS A 51 14.979 12.911 -10.046 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.562 14.998 -13.484 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.612 13.919 -12.378 1.00 0.00 H new ATOM 789 N VAL A 52 11.046 13.637 -6.218 1.00 0.00 N ATOM 790 CA VAL A 52 9.926 13.631 -5.286 1.00 0.00 C ATOM 791 C VAL A 52 8.628 13.416 -6.079 1.00 0.00 C ATOM 792 O VAL A 52 8.165 12.278 -6.190 1.00 0.00 O ATOM 793 CB VAL A 52 9.947 14.872 -4.353 1.00 0.00 C ATOM 794 CG1 VAL A 52 8.953 14.708 -3.202 1.00 0.00 C ATOM 795 CG2 VAL A 52 11.326 15.112 -3.725 1.00 0.00 C ATOM 0 H VAL A 52 11.669 12.844 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 52 10.005 12.797 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 52 9.681 15.719 -4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.987 15.591 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.947 14.590 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.216 13.826 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.285 15.991 -3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.612 14.243 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.062 15.273 -4.513 1.00 0.00 H new ATOM 805 N HIS A 53 8.067 14.453 -6.715 1.00 0.00 N ATOM 806 CA HIS A 53 7.112 14.258 -7.808 1.00 0.00 C ATOM 807 C HIS A 53 7.928 13.836 -9.026 1.00 0.00 C ATOM 808 O HIS A 53 8.947 14.459 -9.304 1.00 0.00 O ATOM 809 CB HIS A 53 6.294 15.532 -8.078 1.00 0.00 C ATOM 810 CG HIS A 53 7.090 16.741 -8.515 1.00 0.00 C ATOM 811 ND1 HIS A 53 7.519 17.005 -9.805 1.00 0.00 N ATOM 812 CD2 HIS A 53 7.525 17.756 -7.708 1.00 0.00 C ATOM 813 CE1 HIS A 53 8.230 18.145 -9.775 1.00 0.00 C ATOM 814 NE2 HIS A 53 8.230 18.624 -8.519 1.00 0.00 N ATOM 0 H HIS A 53 8.258 15.430 -6.491 1.00 0.00 H new ATOM 0 HA HIS A 53 6.379 13.492 -7.553 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.553 15.310 -8.846 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.746 15.789 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 53 7.352 17.859 -6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.721 18.602 -10.622 1.00 0.00 H new ATOM 0 HE2 HIS A 53 8.678 19.488 -8.214 1.00 0.00 H new ATOM 823 N GLY A 54 7.508 12.825 -9.767 1.00 0.00 N ATOM 824 CA GLY A 54 8.375 12.152 -10.723 1.00 0.00 C ATOM 825 C GLY A 54 8.148 10.660 -10.607 1.00 0.00 C ATOM 826 O GLY A 54 7.038 10.267 -10.242 1.00 0.00 O ATOM 0 H GLY A 54 6.561 12.448 -9.725 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.158 12.491 -11.736 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.419 12.393 -10.523 1.00 0.00 H new ATOM 830 N ALA A 55 9.157 9.846 -10.921 1.00 0.00 N ATOM 831 CA ALA A 55 9.056 8.398 -11.057 1.00 0.00 C ATOM 832 C ALA A 55 8.705 7.630 -9.771 1.00 0.00 C ATOM 833 O ALA A 55 8.567 6.412 -9.856 1.00 0.00 O ATOM 834 CB ALA A 55 10.361 7.861 -11.656 1.00 0.00 C ATOM 0 H ALA A 55 10.101 10.193 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 55 8.207 8.222 -11.717 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.294 6.778 -11.761 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.524 8.311 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.193 8.111 -10.998 1.00 0.00 H new ATOM 840 N VAL A 56 8.529 8.267 -8.601 1.00 0.00 N ATOM 841 CA VAL A 56 8.125 7.579 -7.358 1.00 0.00 C ATOM 842 C VAL A 56 6.995 6.557 -7.623 1.00 0.00 C ATOM 843 O VAL A 56 7.115 5.419 -7.176 1.00 0.00 O ATOM 844 CB VAL A 56 7.668 8.597 -6.272 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.541 8.152 -5.317 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.826 9.071 -5.407 1.00 0.00 C ATOM 0 H VAL A 56 8.662 9.272 -8.488 1.00 0.00 H new ATOM 0 HA VAL A 56 9.000 7.044 -6.990 1.00 0.00 H new ATOM 0 HB VAL A 56 7.258 9.394 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.322 8.955 -4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.645 7.921 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.858 7.265 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.459 9.779 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.277 8.216 -4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.573 9.557 -6.034 1.00 0.00 H new ATOM 856 N PRO A 57 5.871 6.927 -8.279 1.00 0.00 N ATOM 857 CA PRO A 57 4.789 6.002 -8.541 1.00 0.00 C ATOM 858 C PRO A 57 5.146 5.012 -9.647 1.00 0.00 C ATOM 859 O PRO A 57 4.611 3.916 -9.628 1.00 0.00 O ATOM 860 CB PRO A 57 3.579 6.844 -8.945 1.00 0.00 C ATOM 861 CG PRO A 57 4.043 8.292 -8.979 1.00 0.00 C ATOM 862 CD PRO A 57 5.557 8.191 -8.913 1.00 0.00 C ATOM 0 HA PRO A 57 4.580 5.406 -7.652 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.202 6.536 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.764 6.716 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.715 8.795 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.643 8.860 -8.139 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.990 8.239 -9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.974 9.022 -8.344 1.00 0.00 H new ATOM 870 N ASN A 58 6.030 5.361 -10.591 1.00 0.00 N ATOM 871 CA ASN A 58 6.440 4.463 -11.671 1.00 0.00 C ATOM 872 C ASN A 58 7.063 3.200 -11.087 1.00 0.00 C ATOM 873 O ASN A 58 6.741 2.098 -11.529 1.00 0.00 O ATOM 874 CB ASN A 58 7.435 5.144 -12.624 1.00 0.00 C ATOM 875 CG ASN A 58 7.673 4.324 -13.889 1.00 0.00 C ATOM 876 OD1 ASN A 58 6.837 3.525 -14.305 1.00 0.00 O ATOM 877 ND2 ASN A 58 8.794 4.523 -14.556 1.00 0.00 N ATOM 0 H ASN A 58 6.480 6.276 -10.625 1.00 0.00 H new ATOM 0 HA ASN A 58 5.551 4.201 -12.245 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.058 6.129 -12.897 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.383 5.297 -12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.970 4.013 -15.421 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.484 5.187 -14.206 1.00 0.00 H new ATOM 884 N PHE A 59 7.891 3.367 -10.050 1.00 0.00 N ATOM 885 CA PHE A 59 8.368 2.277 -9.216 1.00 0.00 C ATOM 886 C PHE A 59 7.179 1.470 -8.695 1.00 0.00 C ATOM 887 O PHE A 59 6.995 0.340 -9.125 1.00 0.00 O ATOM 888 CB PHE A 59 9.249 2.838 -8.090 1.00 0.00 C ATOM 889 CG PHE A 59 9.473 1.910 -6.909 1.00 0.00 C ATOM 890 CD1 PHE A 59 10.013 0.626 -7.101 1.00 0.00 C ATOM 891 CD2 PHE A 59 9.139 2.331 -5.608 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.285 -0.193 -5.997 1.00 0.00 C ATOM 893 CE2 PHE A 59 9.375 1.486 -4.507 1.00 0.00 C ATOM 894 CZ PHE A 59 9.948 0.218 -4.700 1.00 0.00 C ATOM 0 H PHE A 59 8.249 4.280 -9.769 1.00 0.00 H new ATOM 0 HA PHE A 59 8.987 1.594 -9.797 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.219 3.103 -8.510 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.797 3.760 -7.724 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.218 0.271 -8.100 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.700 3.306 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.760 -1.151 -6.147 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.115 1.813 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 59 10.127 -0.434 -3.858 1.00 0.00 H new ATOM 904 N VAL A 60 6.339 2.022 -7.814 1.00 0.00 N ATOM 905 CA VAL A 60 5.267 1.229 -7.196 1.00 0.00 C ATOM 906 C VAL A 60 4.194 0.712 -8.172 1.00 0.00 C ATOM 907 O VAL A 60 3.395 -0.154 -7.813 1.00 0.00 O ATOM 908 CB VAL A 60 4.657 1.940 -5.982 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.626 1.885 -4.790 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.323 3.410 -6.199 1.00 0.00 C ATOM 0 H VAL A 60 6.377 2.997 -7.515 1.00 0.00 H new ATOM 0 HA VAL A 60 5.762 0.325 -6.840 1.00 0.00 H new ATOM 0 HB VAL A 60 3.726 1.404 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.180 2.393 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.825 0.845 -4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.561 2.377 -5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.897 3.825 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.231 3.955 -6.457 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.601 3.503 -7.011 1.00 0.00 H new ATOM 920 N LYS A 61 4.163 1.199 -9.407 1.00 0.00 N ATOM 921 CA LYS A 61 3.334 0.669 -10.487 1.00 0.00 C ATOM 922 C LYS A 61 3.862 -0.662 -10.994 1.00 0.00 C ATOM 923 O LYS A 61 3.090 -1.431 -11.553 1.00 0.00 O ATOM 924 CB LYS A 61 3.239 1.678 -11.651 1.00 0.00 C ATOM 925 CG LYS A 61 1.930 1.582 -12.450 1.00 0.00 C ATOM 926 CD LYS A 61 1.982 2.426 -13.734 1.00 0.00 C ATOM 927 CE LYS A 61 2.480 1.601 -14.929 1.00 0.00 C ATOM 928 NZ LYS A 61 1.378 0.988 -15.705 1.00 0.00 N ATOM 0 H LYS A 61 4.730 1.997 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 61 2.336 0.505 -10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.337 2.688 -11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.079 1.519 -12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.737 0.541 -12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.099 1.916 -11.828 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.990 2.821 -13.951 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.640 3.282 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.068 2.241 -15.586 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.145 0.816 -14.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.773 0.444 -16.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.830 0.354 -15.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.756 1.735 -16.074 1.00 0.00 H new ATOM 942 N GLU A 62 5.141 -0.965 -10.789 1.00 0.00 N ATOM 943 CA GLU A 62 5.709 -2.255 -11.143 1.00 0.00 C ATOM 944 C GLU A 62 5.512 -3.294 -10.034 1.00 0.00 C ATOM 945 O GLU A 62 5.758 -4.481 -10.240 1.00 0.00 O ATOM 946 CB GLU A 62 7.183 -2.087 -11.546 1.00 0.00 C ATOM 947 CG GLU A 62 8.278 -2.340 -10.481 1.00 0.00 C ATOM 948 CD GLU A 62 9.518 -2.967 -11.112 1.00 0.00 C ATOM 949 OE1 GLU A 62 9.369 -3.912 -11.923 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.645 -2.476 -10.863 1.00 0.00 O ATOM 0 H GLU A 62 5.811 -0.319 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 62 5.171 -2.646 -12.007 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.375 -2.758 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.311 -1.070 -11.916 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.546 -1.400 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.889 -2.997 -9.703 1.00 0.00 H new ATOM 957 N LYS A 63 5.117 -2.868 -8.830 1.00 0.00 N ATOM 958 CA LYS A 63 5.220 -3.705 -7.635 1.00 0.00 C ATOM 959 C LYS A 63 3.929 -4.474 -7.389 1.00 0.00 C ATOM 960 O LYS A 63 3.591 -4.733 -6.237 1.00 0.00 O ATOM 961 CB LYS A 63 5.527 -2.777 -6.444 1.00 0.00 C ATOM 962 CG LYS A 63 6.824 -1.979 -6.597 1.00 0.00 C ATOM 963 CD LYS A 63 8.099 -2.806 -6.567 1.00 0.00 C ATOM 964 CE LYS A 63 8.498 -3.195 -5.141 1.00 0.00 C ATOM 965 NZ LYS A 63 8.783 -4.632 -5.022 1.00 0.00 N ATOM 0 H LYS A 63 4.721 -1.944 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 63 6.012 -4.443 -7.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.697 -2.082 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.586 -3.376 -5.535 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.787 -1.432 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.872 -1.237 -5.800 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.960 -3.708 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.909 -2.241 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.378 -2.625 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.696 -2.926 -4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.607 -4.772 -4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.958 -5.117 -4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.985 -5.025 -5.963 1.00 0.00 H new ATOM 979 N GLY A 64 3.268 -4.929 -8.453 1.00 0.00 N ATOM 980 CA GLY A 64 2.140 -5.853 -8.400 1.00 0.00 C ATOM 981 C GLY A 64 0.959 -5.341 -7.570 1.00 0.00 C ATOM 982 O GLY A 64 0.140 -6.151 -7.128 1.00 0.00 O ATOM 0 H GLY A 64 3.512 -4.655 -9.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.798 -6.053 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.479 -6.802 -7.985 1.00 0.00 H new ATOM 986 N ALA A 65 0.878 -4.029 -7.296 1.00 0.00 N ATOM 987 CA ALA A 65 -0.110 -3.498 -6.378 1.00 0.00 C ATOM 988 C ALA A 65 -1.542 -3.697 -6.882 1.00 0.00 C ATOM 989 O ALA A 65 -1.778 -3.808 -8.086 1.00 0.00 O ATOM 990 CB ALA A 65 0.178 -2.022 -6.153 1.00 0.00 C ATOM 0 H ALA A 65 1.492 -3.325 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.036 -4.045 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.558 -1.609 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.176 -1.906 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.123 -1.492 -7.104 1.00 0.00 H new ATOM 996 N GLU A 66 -2.495 -3.653 -5.949 1.00 0.00 N ATOM 997 CA GLU A 66 -3.935 -3.667 -6.209 1.00 0.00 C ATOM 998 C GLU A 66 -4.666 -2.656 -5.306 1.00 0.00 C ATOM 999 O GLU A 66 -5.774 -2.232 -5.640 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.480 -5.095 -6.038 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.508 -5.862 -7.369 1.00 0.00 C ATOM 1002 CD GLU A 66 -4.644 -7.376 -7.177 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -5.734 -7.890 -6.854 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -3.619 -8.098 -7.253 1.00 0.00 O ATOM 0 H GLU A 66 -2.276 -3.605 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.117 -3.358 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.862 -5.636 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.487 -5.052 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.339 -5.501 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.594 -5.651 -7.924 1.00 0.00 H new ATOM 1011 N LEU A 67 -4.049 -2.226 -4.198 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.552 -1.230 -3.262 1.00 0.00 C ATOM 1013 C LEU A 67 -3.399 -0.329 -2.826 1.00 0.00 C ATOM 1014 O LEU A 67 -2.237 -0.751 -2.808 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.133 -1.918 -2.002 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.580 -1.537 -1.672 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -7.041 -2.283 -0.429 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -6.791 -0.063 -1.335 1.00 0.00 C ATOM 0 H LEU A 67 -3.136 -2.588 -3.922 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.333 -0.650 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.078 -2.998 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.503 -1.671 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.134 -1.786 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.070 -2.007 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.984 -3.357 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.399 -2.020 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.844 0.113 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.190 0.201 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.490 0.551 -2.184 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.731 0.858 -2.332 1.00 0.00 N ATOM 1031 CA VAL A 68 -2.880 1.658 -1.469 1.00 0.00 C ATOM 1032 C VAL A 68 -3.784 2.224 -0.368 1.00 0.00 C ATOM 1033 O VAL A 68 -4.910 2.633 -0.650 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.168 2.766 -2.276 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -0.997 3.314 -1.465 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -1.566 2.295 -3.610 1.00 0.00 C ATOM 0 H VAL A 68 -4.628 1.301 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.083 1.061 -1.025 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.943 3.504 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.494 4.096 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.366 3.729 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.293 2.509 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.086 3.136 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.827 1.516 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.357 1.898 -4.246 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.313 2.265 0.877 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.983 2.884 2.013 1.00 0.00 C ATOM 1048 C ILE A 69 -3.115 4.085 2.396 1.00 0.00 C ATOM 1049 O ILE A 69 -1.936 3.918 2.710 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.164 1.860 3.156 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.146 0.721 2.799 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.644 2.572 4.427 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.114 -0.448 3.794 1.00 0.00 C ATOM 0 H ILE A 69 -2.416 1.850 1.129 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.993 3.220 1.780 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.189 1.402 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.158 1.124 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.910 0.347 1.803 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.769 1.843 5.227 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.907 3.317 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.597 3.063 4.231 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.827 -1.211 3.482 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.112 -0.877 3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.380 -0.087 4.788 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.654 5.304 2.310 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.859 6.529 2.318 1.00 0.00 C ATOM 1067 C VAL A 70 -3.471 7.570 3.246 1.00 0.00 C ATOM 1068 O VAL A 70 -4.687 7.777 3.256 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.707 7.063 0.876 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.519 6.384 0.183 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.973 6.927 0.010 1.00 0.00 C ATOM 0 H VAL A 70 -4.658 5.467 2.233 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.864 6.306 2.704 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.529 8.134 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.422 6.768 -0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.605 6.593 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.684 5.307 0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.778 7.326 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.249 5.875 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.790 7.483 0.470 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.618 8.269 4.002 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.032 9.340 4.898 1.00 0.00 C ATOM 1083 C ARG A 71 -3.604 10.518 4.102 1.00 0.00 C ATOM 1084 O ARG A 71 -4.826 10.637 4.049 1.00 0.00 O ATOM 1085 CB ARG A 71 -1.881 9.714 5.846 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.309 10.809 6.837 1.00 0.00 C ATOM 1087 CD ARG A 71 -2.201 10.416 8.315 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.198 11.188 9.080 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.017 12.418 9.578 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -1.784 12.882 9.744 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.057 13.189 9.883 1.00 0.00 N ATOM 0 H ARG A 71 -1.612 8.101 4.005 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.846 8.999 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.557 8.830 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.026 10.060 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.697 11.694 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -3.341 11.089 6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.376 9.347 8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.197 10.619 8.688 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.103 10.747 9.244 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.983 12.303 9.493 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.638 13.818 10.123 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.006 12.845 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.905 14.124 10.262 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.770 11.356 3.468 1.00 0.00 N ATOM 1106 CA GLY A 72 -3.240 12.610 2.866 1.00 0.00 C ATOM 1107 C GLY A 72 -3.127 12.691 1.341 1.00 0.00 C ATOM 1108 O GLY A 72 -4.020 13.246 0.697 1.00 0.00 O ATOM 0 H GLY A 72 -1.770 11.188 3.360 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.284 12.758 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.675 13.435 3.299 1.00 0.00 H new ATOM 1112 N ILE A 73 -2.052 12.116 0.780 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.709 11.994 -0.648 1.00 0.00 C ATOM 1114 C ILE A 73 -1.928 13.301 -1.465 1.00 0.00 C ATOM 1115 O ILE A 73 -1.880 14.392 -0.892 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.365 10.695 -1.215 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.722 10.203 -2.528 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.887 10.788 -1.430 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.832 8.690 -2.721 1.00 0.00 C ATOM 0 H ILE A 73 -1.336 11.686 1.365 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.632 11.871 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.174 9.971 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.199 10.706 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.670 10.489 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.257 9.842 -1.825 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.376 11.000 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.106 11.588 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.361 8.408 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.331 8.181 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.883 8.401 -2.740 1.00 0.00 H new ATOM 1131 N GLY A 74 -2.019 13.234 -2.800 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.242 14.357 -3.710 1.00 0.00 C ATOM 1133 C GLY A 74 -2.289 13.875 -5.169 1.00 0.00 C ATOM 1134 O GLY A 74 -1.936 12.725 -5.448 1.00 0.00 O ATOM 0 H GLY A 74 -1.934 12.347 -3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.177 14.856 -3.457 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.446 15.092 -3.590 1.00 0.00 H new ATOM 1138 N ARG A 75 -2.696 14.753 -6.097 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.171 14.408 -7.448 1.00 0.00 C ATOM 1140 C ARG A 75 -2.221 13.505 -8.228 1.00 0.00 C ATOM 1141 O ARG A 75 -2.630 12.504 -8.807 1.00 0.00 O ATOM 1142 CB ARG A 75 -3.439 15.691 -8.266 1.00 0.00 C ATOM 1143 CG ARG A 75 -4.705 15.655 -9.138 1.00 0.00 C ATOM 1144 CD ARG A 75 -4.975 14.344 -9.896 1.00 0.00 C ATOM 1145 NE ARG A 75 -6.213 14.424 -10.685 1.00 0.00 N ATOM 1146 CZ ARG A 75 -6.393 15.006 -11.874 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -5.410 15.649 -12.496 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -7.585 14.948 -12.443 1.00 0.00 N ATOM 0 H ARG A 75 -2.704 15.758 -5.923 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.092 13.844 -7.300 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.514 16.533 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.579 15.880 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.565 15.865 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.642 16.464 -9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.135 14.124 -10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.047 13.520 -9.186 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.035 13.981 -10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.487 15.708 -12.066 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.579 16.083 -13.403 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.351 14.464 -11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.739 15.387 -13.351 1.00 0.00 H new ATOM 1162 N ARG A 76 -0.940 13.857 -8.253 1.00 0.00 N ATOM 1163 CA ARG A 76 0.097 13.128 -8.981 1.00 0.00 C ATOM 1164 C ARG A 76 0.206 11.656 -8.618 1.00 0.00 C ATOM 1165 O ARG A 76 0.739 10.880 -9.410 1.00 0.00 O ATOM 1166 CB ARG A 76 1.437 13.821 -8.757 1.00 0.00 C ATOM 1167 CG ARG A 76 1.806 13.895 -7.272 1.00 0.00 C ATOM 1168 CD ARG A 76 3.007 14.817 -7.122 1.00 0.00 C ATOM 1169 NE ARG A 76 2.921 15.587 -5.872 1.00 0.00 N ATOM 1170 CZ ARG A 76 3.143 16.900 -5.716 1.00 0.00 C ATOM 1171 NH1 ARG A 76 3.560 17.667 -6.721 1.00 0.00 N ATOM 1172 NH2 ARG A 76 2.934 17.470 -4.541 1.00 0.00 N ATOM 0 H ARG A 76 -0.584 14.675 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.190 13.146 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.217 13.285 -9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.397 14.829 -9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.964 14.271 -6.690 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.040 12.902 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.925 14.230 -7.130 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.057 15.498 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 76 2.665 15.066 -5.033 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.720 17.259 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.720 18.663 -6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.604 16.911 -3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.103 18.469 -4.421 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.236 11.278 -7.421 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.200 9.902 -6.979 1.00 0.00 C ATOM 1188 C ALA A 77 -1.547 9.223 -7.230 1.00 0.00 C ATOM 1189 O ALA A 77 -1.567 8.031 -7.525 1.00 0.00 O ATOM 1190 CB ALA A 77 0.180 9.877 -5.508 1.00 0.00 C ATOM 0 H ALA A 77 -0.628 11.924 -6.736 1.00 0.00 H new ATOM 0 HA ALA A 77 0.545 9.344 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.212 8.845 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.161 10.335 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.559 10.433 -4.932 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.661 9.969 -7.174 1.00 0.00 N ATOM 1197 CA ILE A 78 -3.969 9.501 -7.643 1.00 0.00 C ATOM 1198 C ILE A 78 -3.791 8.994 -9.080 1.00 0.00 C ATOM 1199 O ILE A 78 -4.185 7.880 -9.402 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.034 10.625 -7.517 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.350 10.961 -6.043 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.322 10.370 -8.322 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -6.274 9.964 -5.337 1.00 0.00 C ATOM 0 H ILE A 78 -2.677 10.918 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.340 8.682 -7.027 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.571 11.500 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.412 11.019 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.807 11.950 -6.001 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.011 11.202 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.078 10.280 -9.380 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.790 9.448 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.437 10.285 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.230 9.921 -5.859 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.814 8.976 -5.340 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.110 9.764 -9.931 1.00 0.00 N ATOM 1216 CA ALA A 79 -2.909 9.377 -11.327 1.00 0.00 C ATOM 1217 C ALA A 79 -2.181 8.029 -11.526 1.00 0.00 C ATOM 1218 O ALA A 79 -2.325 7.447 -12.599 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.172 10.504 -12.059 1.00 0.00 C ATOM 0 H ALA A 79 -2.689 10.658 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.901 9.222 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.019 10.222 -13.101 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.766 11.417 -12.014 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.206 10.676 -11.584 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.423 7.523 -10.542 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.725 6.242 -10.643 1.00 0.00 C ATOM 1227 C ALA A 80 -1.690 5.068 -10.463 1.00 0.00 C ATOM 1228 O ALA A 80 -1.737 4.176 -11.302 1.00 0.00 O ATOM 1229 CB ALA A 80 0.386 6.195 -9.598 1.00 0.00 C ATOM 0 H ALA A 80 -1.279 7.997 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.291 6.153 -11.639 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.911 5.242 -9.668 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.088 7.010 -9.776 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.046 6.299 -8.603 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.500 5.105 -9.399 1.00 0.00 N ATOM 1236 CA PHE A 81 -3.726 4.327 -9.230 1.00 0.00 C ATOM 1237 C PHE A 81 -4.452 4.233 -10.536 1.00 0.00 C ATOM 1238 O PHE A 81 -4.740 3.139 -11.002 1.00 0.00 O ATOM 1239 CB PHE A 81 -4.627 4.993 -8.183 1.00 0.00 C ATOM 1240 CG PHE A 81 -6.133 5.225 -8.431 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -6.997 4.217 -8.909 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -6.703 6.471 -8.097 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -8.380 4.430 -9.028 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -8.089 6.687 -8.196 1.00 0.00 C ATOM 1245 CZ PHE A 81 -8.932 5.666 -8.659 1.00 0.00 C ATOM 0 H PHE A 81 -2.307 5.706 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 81 -3.467 3.324 -8.891 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -4.546 4.398 -7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.190 5.968 -7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.585 3.259 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.064 7.273 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.018 3.643 -9.403 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.506 7.643 -7.914 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.997 5.830 -8.731 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.746 5.390 -11.101 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.619 5.488 -12.239 1.00 0.00 C ATOM 1257 C GLU A 82 -4.990 4.890 -13.500 1.00 0.00 C ATOM 1258 O GLU A 82 -5.677 4.731 -14.513 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.897 6.975 -12.487 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.749 7.693 -11.427 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.782 8.628 -12.060 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -7.411 9.373 -13.004 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.959 8.584 -11.626 1.00 0.00 O ATOM 0 H GLU A 82 -4.381 6.286 -10.777 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.531 4.931 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.941 7.493 -12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.395 7.074 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.259 6.953 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.099 8.266 -10.766 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.688 4.596 -13.487 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.061 3.844 -14.553 1.00 0.00 C ATOM 1272 C ALA A 83 -3.284 2.343 -14.409 1.00 0.00 C ATOM 1273 O ALA A 83 -3.136 1.639 -15.406 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.568 4.170 -14.625 1.00 0.00 C ATOM 0 H ALA A 83 -3.051 4.874 -12.740 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.534 4.145 -15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.109 3.597 -15.431 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.437 5.235 -14.816 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.093 3.910 -13.679 1.00 0.00 H new ATOM 1280 N MET A 84 -3.658 1.848 -13.225 1.00 0.00 N ATOM 1281 CA MET A 84 -3.836 0.405 -13.016 1.00 0.00 C ATOM 1282 C MET A 84 -5.123 0.056 -12.259 1.00 0.00 C ATOM 1283 O MET A 84 -5.288 -1.077 -11.817 1.00 0.00 O ATOM 1284 CB MET A 84 -2.551 -0.226 -12.436 1.00 0.00 C ATOM 1285 CG MET A 84 -1.768 0.649 -11.445 1.00 0.00 C ATOM 1286 SD MET A 84 -0.391 -0.131 -10.538 1.00 0.00 S ATOM 1287 CE MET A 84 -0.070 -1.683 -11.432 1.00 0.00 C ATOM 0 H MET A 84 -3.843 2.420 -12.401 1.00 0.00 H new ATOM 0 HA MET A 84 -3.989 -0.059 -13.990 1.00 0.00 H new ATOM 0 HB2 MET A 84 -2.819 -1.157 -11.937 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.891 -0.486 -13.263 1.00 0.00 H new ATOM 0 HG2 MET A 84 -1.369 1.503 -11.993 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.474 1.041 -10.713 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.772 -2.201 -10.972 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.955 -2.318 -11.388 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.166 -1.461 -12.473 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.055 1.002 -12.112 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.253 0.810 -11.296 1.00 0.00 C ATOM 1299 C GLY A 85 -6.906 0.467 -9.849 1.00 0.00 C ATOM 1300 O GLY A 85 -7.700 -0.185 -9.180 1.00 0.00 O ATOM 0 H GLY A 85 -5.999 1.919 -12.555 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.858 1.717 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.859 0.011 -11.723 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.747 0.909 -9.360 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.229 0.474 -8.061 1.00 0.00 C ATOM 1306 C VAL A 86 -5.960 1.273 -6.987 1.00 0.00 C ATOM 1307 O VAL A 86 -5.785 2.482 -6.913 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.685 0.591 -8.041 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.050 0.897 -6.680 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.109 -0.730 -8.556 1.00 0.00 C ATOM 0 H VAL A 86 -5.145 1.573 -9.847 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.422 -0.580 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.445 1.450 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.967 0.956 -6.789 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.429 1.848 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.301 0.105 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.020 -0.678 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.435 -1.545 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.461 -0.909 -9.572 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.828 0.622 -6.201 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.756 1.309 -5.305 1.00 0.00 C ATOM 1322 C LYS A 87 -6.983 2.209 -4.336 1.00 0.00 C ATOM 1323 O LYS A 87 -5.841 1.889 -3.988 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.646 0.253 -4.616 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.662 0.850 -3.633 1.00 0.00 C ATOM 1326 CD LYS A 87 -10.952 0.038 -3.469 1.00 0.00 C ATOM 1327 CE LYS A 87 -10.769 -1.357 -2.857 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.079 -1.986 -2.582 1.00 0.00 N ATOM 0 H LYS A 87 -6.903 -0.395 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.420 1.977 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.181 -0.312 -5.379 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.010 -0.454 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.186 0.951 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.922 1.855 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.643 0.604 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.422 -0.070 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.195 -1.985 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.196 -1.281 -1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.931 -2.929 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.615 -1.395 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.613 -2.077 -3.469 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.594 3.298 -3.859 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.904 4.272 -3.020 1.00 0.00 C ATOM 1344 C VAL A 88 -7.705 4.547 -1.748 1.00 0.00 C ATOM 1345 O VAL A 88 -8.515 5.470 -1.687 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.582 5.564 -3.797 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.516 6.340 -3.019 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -6.035 5.307 -5.196 1.00 0.00 C ATOM 0 H VAL A 88 -8.571 3.524 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.946 3.846 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.516 6.116 -3.901 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.273 7.259 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.896 6.585 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.619 5.729 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.830 6.258 -5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.114 4.729 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.770 4.750 -5.777 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.461 3.775 -0.693 1.00 0.00 N ATOM 1359 CA ILE A 89 -8.113 3.954 0.596 1.00 0.00 C ATOM 1360 C ILE A 89 -7.488 5.149 1.327 1.00 0.00 C ATOM 1361 O ILE A 89 -6.546 5.044 2.118 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.190 2.599 1.330 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.339 1.794 0.688 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.418 2.725 2.840 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.436 0.350 1.158 1.00 0.00 C ATOM 0 H ILE A 89 -6.798 3.000 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.160 4.243 0.509 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.228 2.099 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.282 2.297 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.212 1.803 -0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.461 1.731 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.598 3.288 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.358 3.246 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.270 -0.141 0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.510 -0.173 0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.597 0.328 2.236 1.00 0.00 H new ATOM 1377 N LYS A 90 -8.014 6.324 1.002 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.620 7.626 1.510 1.00 0.00 C ATOM 1379 C LYS A 90 -8.227 7.917 2.877 1.00 0.00 C ATOM 1380 O LYS A 90 -9.420 7.681 3.076 1.00 0.00 O ATOM 1381 CB LYS A 90 -8.151 8.669 0.529 1.00 0.00 C ATOM 1382 CG LYS A 90 -7.418 8.770 -0.821 1.00 0.00 C ATOM 1383 CD LYS A 90 -8.347 8.876 -2.049 1.00 0.00 C ATOM 1384 CE LYS A 90 -9.361 10.004 -1.863 1.00 0.00 C ATOM 1385 NZ LYS A 90 -10.301 10.180 -2.989 1.00 0.00 N ATOM 0 H LYS A 90 -8.779 6.393 0.331 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.535 7.650 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.201 8.451 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.113 9.645 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.764 9.642 -0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.779 7.895 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.754 9.057 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.870 7.931 -2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -9.934 9.813 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.821 10.938 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.239 10.436 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.956 10.936 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.370 9.292 -3.526 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.452 8.564 3.747 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.888 9.052 5.048 1.00 0.00 C ATOM 1401 C GLY A 91 -7.334 8.220 6.198 1.00 0.00 C ATOM 1402 O GLY A 91 -7.938 8.202 7.270 1.00 0.00 O ATOM 0 H GLY A 91 -6.471 8.768 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.572 10.088 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.977 9.044 5.089 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.233 7.488 6.011 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.731 6.582 7.041 1.00 0.00 C ATOM 1408 C ALA A 92 -5.031 7.335 8.179 1.00 0.00 C ATOM 1409 O ALA A 92 -4.635 8.491 8.026 1.00 0.00 O ATOM 1410 CB ALA A 92 -4.778 5.571 6.402 1.00 0.00 C ATOM 0 H ALA A 92 -5.675 7.506 5.157 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.582 6.062 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.401 4.893 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.310 5.000 5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.943 6.099 5.942 1.00 0.00 H new ATOM 1416 N SER A 93 -4.811 6.619 9.275 1.00 0.00 N ATOM 1417 CA SER A 93 -3.844 6.847 10.336 1.00 0.00 C ATOM 1418 C SER A 93 -3.526 5.448 10.898 1.00 0.00 C ATOM 1419 O SER A 93 -4.280 4.512 10.613 1.00 0.00 O ATOM 1420 CB SER A 93 -4.414 7.787 11.412 1.00 0.00 C ATOM 1421 OG SER A 93 -5.710 7.398 11.836 1.00 0.00 O ATOM 0 H SER A 93 -5.362 5.781 9.459 1.00 0.00 H new ATOM 0 HA SER A 93 -2.942 7.340 9.973 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.743 7.802 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.452 8.803 11.020 1.00 0.00 H new ATOM 0 HG SER A 93 -6.031 8.022 12.520 1.00 0.00 H new ATOM 1427 N GLY A 94 -2.456 5.294 11.680 1.00 0.00 N ATOM 1428 CA GLY A 94 -2.156 4.055 12.388 1.00 0.00 C ATOM 1429 C GLY A 94 -0.760 3.510 12.096 1.00 0.00 C ATOM 1430 O GLY A 94 -0.028 4.037 11.259 1.00 0.00 O ATOM 0 H GLY A 94 -1.771 6.032 11.839 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.254 4.225 13.460 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.896 3.302 12.116 1.00 0.00 H new ATOM 1434 N THR A 95 -0.383 2.434 12.778 1.00 0.00 N ATOM 1435 CA THR A 95 0.756 1.605 12.403 1.00 0.00 C ATOM 1436 C THR A 95 0.309 0.677 11.271 1.00 0.00 C ATOM 1437 O THR A 95 -0.885 0.411 11.136 1.00 0.00 O ATOM 1438 CB THR A 95 1.229 0.846 13.663 1.00 0.00 C ATOM 1439 OG1 THR A 95 0.131 0.348 14.416 1.00 0.00 O ATOM 1440 CG2 THR A 95 1.976 1.807 14.589 1.00 0.00 C ATOM 0 H THR A 95 -0.865 2.110 13.616 1.00 0.00 H new ATOM 0 HA THR A 95 1.601 2.188 12.036 1.00 0.00 H new ATOM 0 HB THR A 95 1.859 0.025 13.322 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.115 0.999 15.105 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.309 1.271 15.478 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.841 2.217 14.067 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.311 2.619 14.883 1.00 0.00 H new ATOM 1448 N VAL A 96 1.230 0.175 10.442 1.00 0.00 N ATOM 1449 CA VAL A 96 0.873 -0.643 9.281 1.00 0.00 C ATOM 1450 C VAL A 96 0.017 -1.829 9.713 1.00 0.00 C ATOM 1451 O VAL A 96 -1.011 -2.096 9.097 1.00 0.00 O ATOM 1452 CB VAL A 96 2.132 -1.124 8.539 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.819 -2.159 7.449 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.822 0.029 7.822 1.00 0.00 C ATOM 0 H VAL A 96 2.233 0.323 10.556 1.00 0.00 H new ATOM 0 HA VAL A 96 0.293 -0.027 8.593 1.00 0.00 H new ATOM 0 HB VAL A 96 2.762 -1.562 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.744 -2.462 6.959 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.345 -3.030 7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.146 -1.720 6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.708 -0.341 7.307 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.137 0.468 7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.115 0.786 8.549 1.00 0.00 H new ATOM 1464 N GLU A 97 0.439 -2.544 10.758 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.259 -3.727 11.248 1.00 0.00 C ATOM 1466 C GLU A 97 -1.741 -3.452 11.570 1.00 0.00 C ATOM 1467 O GLU A 97 -2.577 -4.349 11.444 1.00 0.00 O ATOM 1468 CB GLU A 97 0.496 -4.283 12.466 1.00 0.00 C ATOM 1469 CG GLU A 97 0.552 -3.298 13.646 1.00 0.00 C ATOM 1470 CD GLU A 97 1.286 -3.849 14.867 1.00 0.00 C ATOM 1471 OE1 GLU A 97 2.494 -4.173 14.790 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.685 -3.860 15.970 1.00 0.00 O ATOM 0 H GLU A 97 1.279 -2.315 11.289 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.269 -4.475 10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.015 -5.205 12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.512 -4.541 12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.043 -2.381 13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.465 -3.030 13.934 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.053 -2.214 11.964 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.358 -1.745 12.399 1.00 0.00 C ATOM 1481 C GLU A 98 -4.146 -1.192 11.215 1.00 0.00 C ATOM 1482 O GLU A 98 -5.305 -1.554 11.030 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.132 -0.689 13.489 1.00 0.00 C ATOM 1484 CG GLU A 98 -4.413 0.018 13.944 1.00 0.00 C ATOM 1485 CD GLU A 98 -4.288 0.402 15.414 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -4.518 -0.501 16.252 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -3.920 1.564 15.712 1.00 0.00 O ATOM 0 H GLU A 98 -1.353 -1.472 11.987 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.952 -2.562 12.809 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.666 -1.165 14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.429 0.057 13.118 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.585 0.908 13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.273 -0.636 13.800 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.515 -0.369 10.374 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.061 0.117 9.115 1.00 0.00 C ATOM 1496 C VAL A 99 -4.585 -1.064 8.284 1.00 0.00 C ATOM 1497 O VAL A 99 -5.688 -1.006 7.733 1.00 0.00 O ATOM 1498 CB VAL A 99 -2.940 0.899 8.395 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.312 1.267 6.971 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -2.614 2.238 9.065 1.00 0.00 C ATOM 0 H VAL A 99 -2.578 -0.013 10.562 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.909 0.783 9.274 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.091 0.216 8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.490 1.815 6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.508 0.359 6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.205 1.891 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.819 2.738 8.511 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.504 2.868 9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.287 2.062 10.090 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.793 -2.133 8.199 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.146 -3.344 7.478 1.00 0.00 C ATOM 1512 C VAL A 100 -5.370 -3.974 8.138 1.00 0.00 C ATOM 1513 O VAL A 100 -6.322 -4.296 7.431 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.931 -4.291 7.403 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.315 -5.688 6.903 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.872 -3.731 6.439 1.00 0.00 C ATOM 0 H VAL A 100 -2.874 -2.177 8.639 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.415 -3.117 6.446 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.539 -4.366 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.427 -6.319 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.046 -6.129 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.746 -5.611 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.021 -4.411 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.304 -3.629 5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.539 -2.755 6.792 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.379 -4.131 9.466 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.509 -4.729 10.171 1.00 0.00 C ATOM 1528 C ASN A 101 -7.800 -3.963 9.894 1.00 0.00 C ATOM 1529 O ASN A 101 -8.801 -4.568 9.519 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.245 -4.779 11.677 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.363 -5.541 12.377 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.513 -5.110 12.432 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.053 -6.702 12.911 1.00 0.00 N ATOM 0 H ASN A 101 -4.610 -3.849 10.074 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.626 -5.747 9.800 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.287 -5.262 11.871 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.178 -3.767 12.077 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.771 -7.257 13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.095 -7.048 12.858 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.777 -2.637 10.054 1.00 0.00 N ATOM 1541 CA GLN A 102 -8.944 -1.777 9.888 1.00 0.00 C ATOM 1542 C GLN A 102 -9.569 -1.992 8.508 1.00 0.00 C ATOM 1543 O GLN A 102 -10.794 -2.060 8.369 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.537 -0.308 10.066 1.00 0.00 C ATOM 1545 CG GLN A 102 -8.015 0.008 11.480 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.896 0.998 12.247 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -9.323 2.025 11.720 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -9.209 0.701 13.497 1.00 0.00 N ATOM 0 H GLN A 102 -6.931 -2.126 10.307 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.684 -2.033 10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.766 -0.060 9.337 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.395 0.329 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -7.944 -0.919 12.048 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.006 0.414 11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.849 -0.153 13.924 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.810 1.326 14.034 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.727 -2.092 7.480 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.147 -2.373 6.124 1.00 0.00 C ATOM 1559 C TYR A 103 -9.664 -3.798 5.941 1.00 0.00 C ATOM 1560 O TYR A 103 -10.730 -3.982 5.352 1.00 0.00 O ATOM 1561 CB TYR A 103 -7.974 -2.120 5.187 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.262 -2.631 3.796 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.402 -2.159 3.123 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.507 -3.693 3.265 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.801 -2.762 1.916 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.887 -4.283 2.049 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.049 -3.833 1.384 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.415 -4.403 0.203 1.00 0.00 O ATOM 0 H TYR A 103 -7.718 -1.977 7.577 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.981 -1.711 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -7.762 -1.052 5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.081 -2.608 5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -9.970 -1.336 3.531 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.636 -4.054 3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.680 -2.407 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.293 -5.078 1.624 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.790 -5.125 -0.019 1.00 0.00 H new ATOM 1578 N LEU A 104 -8.922 -4.803 6.406 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.291 -6.203 6.217 1.00 0.00 C ATOM 1580 C LEU A 104 -10.566 -6.547 6.992 1.00 0.00 C ATOM 1581 O LEU A 104 -11.265 -7.501 6.642 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.147 -7.132 6.652 1.00 0.00 C ATOM 1583 CG LEU A 104 -6.911 -7.147 5.735 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -5.917 -8.166 6.298 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -7.230 -7.520 4.284 1.00 0.00 C ATOM 0 H LEU A 104 -8.052 -4.669 6.922 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.481 -6.353 5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.829 -6.842 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.536 -8.148 6.723 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.504 -6.136 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.030 -8.197 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.632 -7.876 7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.381 -9.152 6.321 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.312 -7.510 3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.671 -8.516 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.934 -6.799 3.869 1.00 0.00 H new ATOM 1597 N SER A 105 -10.890 -5.759 8.018 1.00 0.00 N ATOM 1598 CA SER A 105 -12.157 -5.854 8.726 1.00 0.00 C ATOM 1599 C SER A 105 -13.247 -5.110 7.940 1.00 0.00 C ATOM 1600 O SER A 105 -14.394 -5.550 7.920 1.00 0.00 O ATOM 1601 CB SER A 105 -11.958 -5.323 10.150 1.00 0.00 C ATOM 1602 OG SER A 105 -10.962 -6.106 10.801 1.00 0.00 O ATOM 0 H SER A 105 -10.272 -5.033 8.380 1.00 0.00 H new ATOM 0 HA SER A 105 -12.493 -6.888 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.656 -4.276 10.123 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.896 -5.370 10.704 1.00 0.00 H new ATOM 0 HG SER A 105 -10.073 -5.791 10.536 1.00 0.00 H new ATOM 1608 N GLY A 106 -12.882 -4.056 7.203 1.00 0.00 N ATOM 1609 CA GLY A 106 -13.710 -3.399 6.194 1.00 0.00 C ATOM 1610 C GLY A 106 -14.037 -1.948 6.513 1.00 0.00 C ATOM 1611 O GLY A 106 -14.772 -1.302 5.760 1.00 0.00 O ATOM 0 H GLY A 106 -11.964 -3.622 7.299 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.197 -3.443 5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.641 -3.955 6.084 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.520 -1.424 7.621 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.986 -0.168 8.192 1.00 0.00 C ATOM 1617 C GLN A 107 -13.323 1.014 7.490 1.00 0.00 C ATOM 1618 O GLN A 107 -13.889 2.105 7.394 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.665 -0.165 9.688 1.00 0.00 C ATOM 1620 CG GLN A 107 -14.272 -1.389 10.388 1.00 0.00 C ATOM 1621 CD GLN A 107 -15.078 -1.012 11.623 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -16.212 -0.561 11.495 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -14.539 -1.226 12.813 1.00 0.00 N ATOM 0 H GLN A 107 -12.764 -1.861 8.148 1.00 0.00 H new ATOM 0 HA GLN A 107 -15.063 -0.072 8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.584 -0.160 9.831 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.051 0.747 10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.914 -1.923 9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.473 -2.074 10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.594 -1.602 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -15.069 -1.015 13.658 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.100 0.799 7.014 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.316 1.772 6.263 1.00 0.00 C ATOM 1634 C LEU A 108 -11.890 1.927 4.856 1.00 0.00 C ATOM 1635 O LEU A 108 -12.188 0.930 4.198 1.00 0.00 O ATOM 1636 CB LEU A 108 -9.864 1.288 6.211 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.805 2.378 6.434 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -8.919 3.157 7.749 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -7.445 1.691 6.414 1.00 0.00 C ATOM 0 H LEU A 108 -11.612 -0.087 7.145 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.354 2.747 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.729 0.512 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.687 0.824 5.241 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.950 3.115 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.123 3.900 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.886 3.658 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.829 2.468 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.661 2.432 6.569 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.402 0.945 7.208 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.298 1.204 5.450 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.992 3.168 4.377 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.770 3.565 3.191 1.00 0.00 C ATOM 1653 C LYS A 109 -11.943 4.391 2.205 1.00 0.00 C ATOM 1654 O LYS A 109 -10.937 4.985 2.575 1.00 0.00 O ATOM 1655 CB LYS A 109 -14.071 4.297 3.596 1.00 0.00 C ATOM 1656 CG LYS A 109 -13.887 5.678 4.256 1.00 0.00 C ATOM 1657 CD LYS A 109 -13.781 5.605 5.785 1.00 0.00 C ATOM 1658 CE LYS A 109 -13.089 6.858 6.327 1.00 0.00 C ATOM 1659 NZ LYS A 109 -12.978 6.818 7.794 1.00 0.00 N ATOM 0 H LYS A 109 -11.519 3.957 4.817 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.051 2.649 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.688 4.420 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.626 3.658 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.988 6.148 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.727 6.318 3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.775 5.512 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.221 4.716 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.095 6.946 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -13.649 7.744 6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.505 7.681 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.928 6.759 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.422 5.986 8.078 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.403 4.509 0.961 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.710 5.181 -0.150 1.00 0.00 C ATOM 1675 C ASP A 110 -12.520 6.346 -0.682 1.00 0.00 C ATOM 1676 O ASP A 110 -12.127 7.004 -1.644 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.381 4.195 -1.283 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.621 3.540 -1.864 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.036 2.494 -1.325 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -13.189 4.075 -2.840 1.00 0.00 O ATOM 0 H ASP A 110 -13.306 4.125 0.682 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.772 5.571 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.848 4.721 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.710 3.424 -0.905 1.00 0.00 H new ATOM 1685 N SER A 111 -13.530 6.758 0.079 1.00 0.00 N ATOM 1686 CA SER A 111 -14.371 7.895 -0.175 1.00 0.00 C ATOM 1687 C SER A 111 -15.000 7.847 -1.576 1.00 0.00 C ATOM 1688 O SER A 111 -15.229 6.763 -2.109 1.00 0.00 O ATOM 1689 CB SER A 111 -13.575 9.127 0.240 1.00 0.00 C ATOM 1690 OG SER A 111 -12.280 9.251 -0.334 1.00 0.00 O ATOM 0 H SER A 111 -13.788 6.270 0.937 1.00 0.00 H new ATOM 0 HA SER A 111 -15.279 7.914 0.427 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.153 10.014 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.471 9.121 1.325 1.00 0.00 H new ATOM 0 HG SER A 111 -12.217 8.678 -1.127 1.00 0.00 H new ATOM 1696 N ASP A 112 -15.458 8.968 -2.112 1.00 0.00 N ATOM 1697 CA ASP A 112 -16.163 9.046 -3.382 1.00 0.00 C ATOM 1698 C ASP A 112 -15.659 10.307 -4.042 1.00 0.00 C ATOM 1699 O ASP A 112 -15.781 11.409 -3.506 1.00 0.00 O ATOM 1700 CB ASP A 112 -17.695 9.024 -3.238 1.00 0.00 C ATOM 1701 CG ASP A 112 -18.206 9.609 -1.930 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -18.192 10.838 -1.727 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -18.512 8.797 -1.023 1.00 0.00 O ATOM 0 H ASP A 112 -15.346 9.876 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 112 -15.960 8.165 -3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -18.135 9.578 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -18.042 7.994 -3.323 1.00 0.00 H new ATOM 1708 N TYR A 113 -14.975 10.113 -5.160 1.00 0.00 N ATOM 1709 CA TYR A 113 -14.321 11.145 -5.934 1.00 0.00 C ATOM 1710 C TYR A 113 -14.631 10.947 -7.413 1.00 0.00 C ATOM 1711 O TYR A 113 -15.175 9.913 -7.821 1.00 0.00 O ATOM 1712 CB TYR A 113 -12.812 11.087 -5.653 1.00 0.00 C ATOM 1713 CG TYR A 113 -11.989 12.358 -5.789 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -12.565 13.646 -5.730 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.588 12.229 -5.839 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -11.750 14.786 -5.652 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.766 13.364 -5.737 1.00 0.00 C ATOM 1718 CZ TYR A 113 -10.348 14.646 -5.610 1.00 0.00 C ATOM 1719 OH TYR A 113 -9.551 15.735 -5.455 1.00 0.00 O ATOM 0 H TYR A 113 -14.858 9.185 -5.567 1.00 0.00 H new ATOM 0 HA TYR A 113 -14.687 12.132 -5.651 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -12.680 10.717 -4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -12.381 10.342 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -13.639 13.755 -5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.143 11.252 -5.956 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -12.196 15.769 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -8.691 13.257 -5.756 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.612 15.455 -5.447 1.00 0.00 H new ATOM 1729 N GLU A 114 -14.288 11.957 -8.208 1.00 0.00 N ATOM 1730 CA GLU A 114 -14.809 12.080 -9.553 1.00 0.00 C ATOM 1731 C GLU A 114 -14.236 11.011 -10.466 1.00 0.00 C ATOM 1732 O GLU A 114 -13.017 10.800 -10.517 1.00 0.00 O ATOM 1733 CB GLU A 114 -14.544 13.474 -10.118 1.00 0.00 C ATOM 1734 CG GLU A 114 -15.490 14.479 -9.451 1.00 0.00 C ATOM 1735 CD GLU A 114 -15.373 15.885 -10.021 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -14.287 16.265 -10.523 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -16.341 16.657 -9.859 1.00 0.00 O ATOM 0 H GLU A 114 -13.647 12.703 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.888 11.934 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.507 13.760 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.695 13.476 -11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -16.517 14.132 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -15.281 14.509 -8.382 1.00 0.00 H new ATOM 1744 N VAL A 115 -15.127 10.403 -11.243 1.00 0.00 N ATOM 1745 CA VAL A 115 -14.764 9.676 -12.438 1.00 0.00 C ATOM 1746 C VAL A 115 -14.043 10.664 -13.359 1.00 0.00 C ATOM 1747 O VAL A 115 -14.528 11.764 -13.632 1.00 0.00 O ATOM 1748 CB VAL A 115 -16.022 9.044 -13.053 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -15.721 8.356 -14.390 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -16.600 7.995 -12.088 1.00 0.00 C ATOM 0 H VAL A 115 -16.129 10.406 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 115 -14.088 8.844 -12.241 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.737 9.848 -13.227 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -16.637 7.922 -14.791 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -15.327 9.088 -15.095 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.984 7.568 -14.236 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -17.492 7.549 -12.527 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -15.857 7.218 -11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -16.861 8.474 -11.144 1.00 0.00 H new ATOM 1760 N HIS A 116 -12.842 10.266 -13.775 1.00 0.00 N ATOM 1761 CA HIS A 116 -11.899 11.024 -14.577 1.00 0.00 C ATOM 1762 C HIS A 116 -12.560 11.694 -15.776 1.00 0.00 C ATOM 1763 O HIS A 116 -12.856 11.018 -16.761 1.00 0.00 O ATOM 1764 CB HIS A 116 -10.724 10.122 -14.997 1.00 0.00 C ATOM 1765 CG HIS A 116 -11.038 8.817 -15.716 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -12.264 8.259 -15.986 1.00 0.00 N flip ATOM 1767 CD2 HIS A 116 -10.079 7.909 -16.109 1.00 0.00 C flip ATOM 1768 CE1 HIS A 116 -12.034 6.998 -16.503 1.00 0.00 C flip ATOM 1769 NE2 HIS A 116 -10.702 6.812 -16.574 1.00 0.00 N flip ATOM 0 H HIS A 116 -12.483 9.340 -13.541 1.00 0.00 H new ATOM 0 HA HIS A 116 -11.510 11.835 -13.962 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -10.069 10.708 -15.642 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -10.154 9.879 -14.100 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -9.010 8.054 -16.053 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.790 6.286 -16.798 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.240 5.973 -16.925 1.00 0.00 H new ATOM 1778 N ASP A 117 -12.668 13.018 -15.728 1.00 0.00 N ATOM 1779 CA ASP A 117 -13.052 13.886 -16.839 1.00 0.00 C ATOM 1780 C ASP A 117 -12.308 13.488 -18.117 1.00 0.00 C ATOM 1781 O ASP A 117 -12.931 13.228 -19.145 1.00 0.00 O ATOM 1782 CB ASP A 117 -12.792 15.339 -16.409 1.00 0.00 C ATOM 1783 CG ASP A 117 -12.615 16.327 -17.559 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -13.242 16.185 -18.628 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -11.794 17.255 -17.393 1.00 0.00 O ATOM 0 H ASP A 117 -12.481 13.541 -14.873 1.00 0.00 H new ATOM 0 HA ASP A 117 -14.111 13.781 -17.076 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -13.623 15.673 -15.787 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.897 15.364 -15.787 1.00 0.00 H new ATOM 1790 N HIS A 118 -10.983 13.309 -18.030 1.00 0.00 N ATOM 1791 CA HIS A 118 -10.130 12.921 -19.157 1.00 0.00 C ATOM 1792 C HIS A 118 -10.483 11.561 -19.790 1.00 0.00 C ATOM 1793 O HIS A 118 -9.919 11.212 -20.823 1.00 0.00 O ATOM 1794 CB HIS A 118 -8.658 12.949 -18.714 1.00 0.00 C ATOM 1795 CG HIS A 118 -7.643 13.112 -19.821 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -7.880 13.360 -21.164 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -6.294 13.102 -19.626 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -6.680 13.486 -21.765 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -5.699 13.333 -20.851 1.00 0.00 N ATOM 0 H HIS A 118 -10.467 13.432 -17.159 1.00 0.00 H new ATOM 0 HA HIS A 118 -10.309 13.652 -19.945 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.527 13.765 -18.003 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -8.441 12.024 -18.180 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -5.784 12.943 -18.687 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.527 13.680 -22.816 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.696 13.380 -21.032 1.00 0.00 H new ATOM 1808 N HIS A 119 -11.348 10.759 -19.156 1.00 0.00 N ATOM 1809 CA HIS A 119 -12.024 9.546 -19.628 1.00 0.00 C ATOM 1810 C HIS A 119 -11.265 8.738 -20.697 1.00 0.00 C ATOM 1811 O HIS A 119 -11.843 8.368 -21.714 1.00 0.00 O ATOM 1812 CB HIS A 119 -13.453 9.938 -20.060 1.00 0.00 C ATOM 1813 CG HIS A 119 -14.458 8.812 -19.980 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -14.912 8.030 -21.028 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -15.177 8.482 -18.863 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -15.902 7.247 -20.553 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -16.066 7.492 -19.235 1.00 0.00 N ATOM 0 H HIS A 119 -11.620 10.968 -18.195 1.00 0.00 H new ATOM 0 HA HIS A 119 -12.059 8.839 -18.799 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -13.796 10.761 -19.433 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -13.421 10.309 -21.084 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -15.070 8.913 -17.879 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -16.473 6.537 -21.134 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -16.732 7.026 -18.619 1.00 0.00 H new ATOM 1826 N HIS A 120 -9.987 8.392 -20.465 1.00 0.00 N ATOM 1827 CA HIS A 120 -9.147 7.750 -21.490 1.00 0.00 C ATOM 1828 C HIS A 120 -9.720 6.411 -21.968 1.00 0.00 C ATOM 1829 O HIS A 120 -9.500 6.045 -23.121 1.00 0.00 O ATOM 1830 CB HIS A 120 -7.709 7.568 -20.985 1.00 0.00 C ATOM 1831 CG HIS A 120 -6.671 7.335 -22.065 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -6.422 6.152 -22.742 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -5.706 8.232 -22.437 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -5.291 6.316 -23.451 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -4.849 7.577 -23.302 1.00 0.00 N ATOM 0 H HIS A 120 -9.513 8.547 -19.575 1.00 0.00 H new ATOM 0 HA HIS A 120 -9.138 8.420 -22.350 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -7.426 8.454 -20.416 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -7.687 6.725 -20.294 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.629 9.260 -22.115 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -4.812 5.553 -24.047 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.025 7.980 -23.749 1.00 0.00 H new ATOM 1844 N HIS A 121 -10.466 5.688 -21.116 1.00 0.00 N ATOM 1845 CA HIS A 121 -11.292 4.542 -21.511 1.00 0.00 C ATOM 1846 C HIS A 121 -10.456 3.494 -22.262 1.00 0.00 C ATOM 1847 O HIS A 121 -10.841 3.004 -23.321 1.00 0.00 O ATOM 1848 CB HIS A 121 -12.497 5.098 -22.297 1.00 0.00 C ATOM 1849 CG HIS A 121 -13.604 4.124 -22.595 1.00 0.00 C ATOM 1850 ND1 HIS A 121 -13.935 3.649 -23.847 1.00 0.00 N ATOM 1851 CD2 HIS A 121 -14.531 3.656 -21.705 1.00 0.00 C ATOM 1852 CE1 HIS A 121 -15.034 2.889 -23.719 1.00 0.00 C ATOM 1853 NE2 HIS A 121 -15.403 2.862 -22.424 1.00 0.00 N ATOM 0 H HIS A 121 -10.511 5.890 -20.117 1.00 0.00 H new ATOM 0 HA HIS A 121 -11.678 3.998 -20.649 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -12.917 5.932 -21.735 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -12.133 5.502 -23.242 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -14.573 3.866 -20.646 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -15.541 2.380 -24.526 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -16.193 2.343 -22.039 1.00 0.00 H new ATOM 1862 N GLU A 122 -9.260 3.201 -21.757 1.00 0.00 N ATOM 1863 CA GLU A 122 -8.286 2.312 -22.393 1.00 0.00 C ATOM 1864 C GLU A 122 -8.640 0.846 -22.135 1.00 0.00 C ATOM 1865 O GLU A 122 -8.022 0.215 -21.281 1.00 0.00 O ATOM 1866 CB GLU A 122 -6.854 2.645 -21.920 1.00 0.00 C ATOM 1867 CG GLU A 122 -6.777 2.981 -20.422 1.00 0.00 C ATOM 1868 CD GLU A 122 -5.474 2.536 -19.767 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -4.388 2.912 -20.258 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -5.555 1.897 -18.688 1.00 0.00 O ATOM 0 H GLU A 122 -8.931 3.585 -20.871 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.322 2.472 -23.471 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -6.202 1.797 -22.130 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.475 3.489 -22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -6.891 4.057 -20.292 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.613 2.508 -19.908 1.00 0.00 H new ATOM 1877 N HIS A 123 -9.680 0.326 -22.800 1.00 0.00 N ATOM 1878 CA HIS A 123 -10.147 -1.067 -22.661 1.00 0.00 C ATOM 1879 C HIS A 123 -11.375 -1.407 -23.511 1.00 0.00 C ATOM 1880 O HIS A 123 -11.786 -2.567 -23.524 1.00 0.00 O ATOM 1881 CB HIS A 123 -10.443 -1.424 -21.188 1.00 0.00 C ATOM 1882 CG HIS A 123 -11.070 -0.312 -20.380 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -10.373 0.517 -19.520 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -12.393 0.039 -20.346 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -11.260 1.364 -18.975 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -12.488 1.096 -19.459 1.00 0.00 N ATOM 0 H HIS A 123 -10.233 0.869 -23.463 1.00 0.00 H new ATOM 0 HA HIS A 123 -9.318 -1.668 -23.034 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -11.106 -2.289 -21.165 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.512 -1.723 -20.707 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -13.200 -0.417 -20.900 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.026 2.139 -18.260 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -13.345 1.590 -19.212 1.00 0.00 H new ATOM 1895 N HIS A 124 -12.016 -0.443 -24.160 1.00 0.00 N ATOM 1896 CA HIS A 124 -13.135 -0.615 -25.074 1.00 0.00 C ATOM 1897 C HIS A 124 -13.013 0.592 -25.982 1.00 0.00 C ATOM 1898 O HIS A 124 -13.375 0.495 -27.169 1.00 0.00 O ATOM 1899 CB HIS A 124 -14.464 -0.653 -24.290 1.00 0.00 C ATOM 1900 CG HIS A 124 -15.754 -0.546 -25.082 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -15.898 -0.239 -26.426 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -17.008 -0.628 -24.538 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -17.213 -0.118 -26.684 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -17.904 -0.350 -25.552 1.00 0.00 N ATOM 0 H HIS A 124 -11.752 0.537 -24.055 1.00 0.00 H new ATOM 0 HA HIS A 124 -13.123 -1.548 -25.637 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -14.494 -1.585 -23.725 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -14.448 0.160 -23.564 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -15.141 -0.125 -27.100 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.250 -0.865 -23.512 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -17.644 0.126 -27.644 1.00 0.00 H new TER 1913 HIS A 124