USER MOD reduce.3.24.130724 H: found=0, std=0, add=1095, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1093 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 59 LYS NZ :NH3+ 164:sc= -7.23! (180deg=-6.74!) USER MOD Set 1.2: A 87 ASN : amide:sc= -7.8! C(o=-15!,f=-28!) USER MOD Set 2.1: A 54 SER OG : rot -160:sc= -0.406 USER MOD Set 2.2: A 94 THR OG1 : rot 120:sc= 0.928 USER MOD Set 3.1: A 45 GLN : amide:sc= -2.27! C(o=-3!,f=-4.1!) USER MOD Set 3.2: A 104 LYS NZ :NH3+ -127:sc= -0.735 (180deg=-1.02) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.645 (180deg=-0.689) USER MOD Single : A 2 ASN :FLIP amide:sc= -1.93! C(o=-4.1!,f=-1.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.15) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 110:sc= -0.472! USER MOD Single : A 21 SER OG : rot 58:sc= -1.6! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -105:sc= 1.7 USER MOD Single : A 31 CYS SG : rot 180:sc= -4.24! USER MOD Single : A 40 GLN :FLIP amide:sc= -1.99! C(o=-2.7!,f=-2!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -6:sc= 0.895 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 174:sc= -0.589 (180deg=-0.645) USER MOD Single : A 61 ASN : amide:sc= -0.0842 K(o=-0.084,f=-0.83) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= -0.321 (180deg=-0.573) USER MOD Single : A 75 SER OG : rot -89:sc= 0.983 USER MOD Single : A 77 SER OG : rot -61:sc= 0.291! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.821 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -4.9! C(o=-4.9!,f=-5!) USER MOD Single : A 85 LYS NZ :NH3+ -162:sc= -1.76 (180deg=-2.53!) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.0227 USER MOD Single : A 89 ASN : amide:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= 0.105 (180deg=-0.0512) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -170:sc= -5.14! USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.121 USER MOD Single : A 113 TYR OH : rot 15:sc= -0.0377 USER MOD Single : A 116 TYR OH : rot 180:sc= -0.423 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.775 F(o=-4.9!,f=-0.78) USER MOD Single : A 119 LYS NZ :NH3+ -149:sc= -0.0255 (180deg=-0.53) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -16.5! C(o=-16!,f=-27!) USER MOD Single : A 126 HIS : no HE2:sc= -0.814! C(o=-0.81!,f=-7.9!) USER MOD Single : A 129 THR OG1 : rot 130:sc=-0.00708 USER MOD Single : A 130 TYR OH : rot 37:sc= 1.19 USER MOD Single : A 131 ASN :FLIP amide:sc= -2.83 F(o=-5.1!,f=-2.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.650 14.846 -18.722 1.00 0.00 N ATOM 2 CA MET A 1 1.010 13.996 -19.719 1.00 0.00 C ATOM 3 C MET A 1 0.807 12.588 -19.170 1.00 0.00 C ATOM 4 O MET A 1 0.226 11.731 -19.834 1.00 0.00 O ATOM 5 CB MET A 1 1.872 13.937 -20.981 1.00 0.00 C ATOM 6 CG MET A 1 3.167 13.181 -20.680 1.00 0.00 C ATOM 7 SD MET A 1 4.564 14.063 -21.417 1.00 0.00 S ATOM 8 CE MET A 1 5.877 13.033 -20.717 1.00 0.00 C ATOM 0 H1 MET A 1 1.888 15.764 -19.150 1.00 0.00 H new ATOM 0 H2 MET A 1 1.000 14.994 -17.924 1.00 0.00 H new ATOM 0 H3 MET A 1 2.519 14.387 -18.381 1.00 0.00 H new ATOM 0 HA MET A 1 0.036 14.420 -19.964 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.327 13.440 -21.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.099 14.946 -21.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.307 13.092 -19.603 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.111 12.168 -21.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.847 13.405 -21.048 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.827 13.070 -19.629 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.749 12.004 -21.052 1.00 0.00 H new ATOM 18 N ASN A 2 1.290 12.357 -17.954 1.00 0.00 N ATOM 19 CA ASN A 2 1.156 11.049 -17.323 1.00 0.00 C ATOM 20 C ASN A 2 0.468 11.177 -15.967 1.00 0.00 C ATOM 21 O ASN A 2 0.959 11.865 -15.072 1.00 0.00 O ATOM 22 CB ASN A 2 2.536 10.413 -17.138 1.00 0.00 C ATOM 23 CG ASN A 2 3.417 11.320 -16.287 1.00 0.00 C ATOM 24 OD1 ASN A 2 3.269 11.328 -14.991 1.00 0.00 O flip ATOM 25 ND2 ASN A 2 4.263 12.040 -16.817 1.00 0.00 N flip ATOM 0 H ASN A 2 1.775 13.054 -17.388 1.00 0.00 H new ATOM 0 HA ASN A 2 0.548 10.416 -17.969 1.00 0.00 H new ATOM 0 HB2 ASN A 2 2.435 9.438 -16.661 1.00 0.00 H new ATOM 0 HB3 ASN A 2 3.002 10.246 -18.109 1.00 0.00 H new ATOM 0 HD21 ASN A 2 4.377 12.032 -17.831 1.00 0.00 H new ATOM 0 HD22 ASN A 2 4.850 12.645 -16.243 1.00 0.00 H new ATOM 32 N LYS A 3 -0.674 10.511 -15.823 1.00 0.00 N ATOM 33 CA LYS A 3 -1.421 10.558 -14.572 1.00 0.00 C ATOM 34 C LYS A 3 -0.682 9.802 -13.474 1.00 0.00 C ATOM 35 O LYS A 3 -0.652 8.572 -13.466 1.00 0.00 O ATOM 36 CB LYS A 3 -2.808 9.940 -14.769 1.00 0.00 C ATOM 37 CG LYS A 3 -3.786 10.546 -13.761 1.00 0.00 C ATOM 38 CD LYS A 3 -4.713 9.452 -13.224 1.00 0.00 C ATOM 39 CE LYS A 3 -5.394 8.739 -14.395 1.00 0.00 C ATOM 40 NZ LYS A 3 -6.864 8.677 -14.151 1.00 0.00 N ATOM 0 H LYS A 3 -1.099 9.937 -16.551 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.523 11.601 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.158 10.122 -15.785 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.758 8.859 -14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.238 11.008 -12.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.372 11.333 -14.236 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.143 8.737 -12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.463 9.888 -12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -5.191 9.269 -15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.990 7.733 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -7.328 8.193 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.048 8.153 -13.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.243 9.642 -14.065 1.00 0.00 H new ATOM 54 N GLU A 4 -0.088 10.546 -12.547 1.00 0.00 N ATOM 55 CA GLU A 4 0.646 9.931 -11.447 1.00 0.00 C ATOM 56 C GLU A 4 -0.322 9.350 -10.422 1.00 0.00 C ATOM 57 O GLU A 4 -1.383 9.919 -10.161 1.00 0.00 O ATOM 58 CB GLU A 4 1.552 10.966 -10.777 1.00 0.00 C ATOM 59 CG GLU A 4 2.633 11.417 -11.764 1.00 0.00 C ATOM 60 CD GLU A 4 2.487 12.907 -12.052 1.00 0.00 C ATOM 61 OE1 GLU A 4 2.140 13.637 -11.139 1.00 0.00 O ATOM 62 OE2 GLU A 4 2.724 13.298 -13.184 1.00 0.00 O ATOM 0 H GLU A 4 -0.100 11.566 -12.535 1.00 0.00 H new ATOM 0 HA GLU A 4 1.260 9.124 -11.847 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.963 11.823 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.013 10.539 -9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.621 11.213 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.551 10.849 -12.691 1.00 0.00 H new ATOM 69 N LEU A 5 0.047 8.211 -9.849 1.00 0.00 N ATOM 70 CA LEU A 5 -0.798 7.554 -8.858 1.00 0.00 C ATOM 71 C LEU A 5 -0.870 8.368 -7.577 1.00 0.00 C ATOM 72 O LEU A 5 -1.775 8.170 -6.767 1.00 0.00 O ATOM 73 CB LEU A 5 -0.259 6.148 -8.552 1.00 0.00 C ATOM 74 CG LEU A 5 -1.231 5.366 -7.645 1.00 0.00 C ATOM 75 CD1 LEU A 5 -1.092 5.830 -6.196 1.00 0.00 C ATOM 76 CD2 LEU A 5 -2.681 5.556 -8.109 1.00 0.00 C ATOM 0 H LEU A 5 0.921 7.725 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.803 7.473 -9.271 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.107 5.603 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.714 6.226 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.977 4.308 -7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.784 5.270 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.071 5.658 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.322 6.893 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.349 4.995 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.940 6.614 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.786 5.193 -9.132 1.00 0.00 H new ATOM 88 N LEU A 6 0.089 9.260 -7.373 1.00 0.00 N ATOM 89 CA LEU A 6 0.104 10.059 -6.154 1.00 0.00 C ATOM 90 C LEU A 6 -1.216 10.770 -5.916 1.00 0.00 C ATOM 91 O LEU A 6 -1.278 11.702 -5.115 1.00 0.00 O ATOM 92 CB LEU A 6 1.227 11.089 -6.140 1.00 0.00 C ATOM 93 CG LEU A 6 1.116 12.002 -7.366 1.00 0.00 C ATOM 94 CD1 LEU A 6 -0.003 13.027 -7.153 1.00 0.00 C ATOM 95 CD2 LEU A 6 2.442 12.737 -7.569 1.00 0.00 C ATOM 0 H LEU A 6 0.854 9.447 -8.021 1.00 0.00 H new ATOM 0 HA LEU A 6 0.275 9.344 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.175 11.683 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.194 10.585 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 6 0.888 11.399 -8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.076 13.673 -8.028 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.949 12.507 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.220 13.632 -6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.368 13.388 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.665 13.336 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.240 12.011 -7.725 1.00 0.00 H new ATOM 107 N GLN A 7 -2.274 10.346 -6.589 1.00 0.00 N ATOM 108 CA GLN A 7 -3.546 10.995 -6.383 1.00 0.00 C ATOM 109 C GLN A 7 -3.907 10.846 -4.920 1.00 0.00 C ATOM 110 O GLN A 7 -4.804 11.522 -4.413 1.00 0.00 O ATOM 111 CB GLN A 7 -4.626 10.354 -7.250 1.00 0.00 C ATOM 112 CG GLN A 7 -5.844 11.278 -7.297 1.00 0.00 C ATOM 113 CD GLN A 7 -7.120 10.471 -7.084 1.00 0.00 C ATOM 114 OE1 GLN A 7 -8.097 10.648 -7.811 1.00 0.00 O ATOM 115 NE2 GLN A 7 -7.170 9.590 -6.122 1.00 0.00 N ATOM 0 H GLN A 7 -2.275 9.579 -7.261 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.476 12.047 -6.660 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.246 10.181 -8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -4.907 9.382 -6.844 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -5.758 12.046 -6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -5.885 11.791 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.359 9.445 -5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.020 9.047 -5.972 1.00 0.00 H new ATOM 124 N LEU A 8 -3.163 9.981 -4.231 1.00 0.00 N ATOM 125 CA LEU A 8 -3.386 9.794 -2.809 1.00 0.00 C ATOM 126 C LEU A 8 -3.392 11.173 -2.135 1.00 0.00 C ATOM 127 O LEU A 8 -2.430 11.931 -2.250 1.00 0.00 O ATOM 128 CB LEU A 8 -2.287 8.918 -2.203 1.00 0.00 C ATOM 129 CG LEU A 8 -2.920 7.885 -1.270 1.00 0.00 C ATOM 130 CD1 LEU A 8 -3.780 6.919 -2.089 1.00 0.00 C ATOM 131 CD2 LEU A 8 -1.817 7.103 -0.549 1.00 0.00 C ATOM 0 H LEU A 8 -2.416 9.412 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.341 9.293 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.728 8.417 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.577 9.535 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.544 8.393 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.232 6.182 -1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.565 7.475 -2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.156 6.411 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.268 6.367 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.192 6.594 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.205 7.791 0.034 1.00 0.00 H new ATOM 143 N PRO A 9 -4.462 11.517 -1.472 1.00 0.00 N ATOM 144 CA PRO A 9 -4.632 12.842 -0.801 1.00 0.00 C ATOM 145 C PRO A 9 -3.421 13.387 -0.040 1.00 0.00 C ATOM 146 O PRO A 9 -3.417 14.566 0.313 1.00 0.00 O ATOM 147 CB PRO A 9 -5.767 12.594 0.178 1.00 0.00 C ATOM 148 CG PRO A 9 -6.608 11.541 -0.450 1.00 0.00 C ATOM 149 CD PRO A 9 -5.665 10.677 -1.290 1.00 0.00 C ATOM 0 HA PRO A 9 -4.805 13.603 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.387 12.267 1.146 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.342 13.504 0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.111 10.942 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.385 11.985 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.424 9.743 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.114 10.413 -2.247 1.00 0.00 H new ATOM 157 N LEU A 10 -2.419 12.572 0.267 1.00 0.00 N ATOM 158 CA LEU A 10 -1.302 13.110 1.042 1.00 0.00 C ATOM 159 C LEU A 10 -0.469 14.068 0.244 1.00 0.00 C ATOM 160 O LEU A 10 -0.138 15.158 0.712 1.00 0.00 O ATOM 161 CB LEU A 10 -0.370 12.046 1.555 1.00 0.00 C ATOM 162 CG LEU A 10 -0.201 10.949 0.520 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.223 11.023 -0.017 1.00 0.00 C ATOM 164 CD2 LEU A 10 -0.474 9.588 1.177 1.00 0.00 C ATOM 0 H LEU A 10 -2.352 11.587 0.009 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.780 13.617 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.599 12.485 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.763 11.625 2.480 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.903 11.074 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.371 10.243 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.390 11.999 -0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.928 10.880 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.354 8.796 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.230 9.431 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.492 9.570 1.566 1.00 0.00 H new ATOM 176 N PHE A 11 -0.102 13.656 -0.948 1.00 0.00 N ATOM 177 CA PHE A 11 0.726 14.507 -1.764 1.00 0.00 C ATOM 178 C PHE A 11 -0.030 15.060 -2.968 1.00 0.00 C ATOM 179 O PHE A 11 0.500 15.881 -3.718 1.00 0.00 O ATOM 180 CB PHE A 11 2.003 13.809 -2.207 1.00 0.00 C ATOM 181 CG PHE A 11 1.764 12.371 -2.576 1.00 0.00 C ATOM 182 CD1 PHE A 11 0.488 11.928 -2.903 1.00 0.00 C ATOM 183 CD2 PHE A 11 2.842 11.476 -2.580 1.00 0.00 C ATOM 184 CE1 PHE A 11 0.279 10.587 -3.235 1.00 0.00 C ATOM 185 CE2 PHE A 11 2.639 10.135 -2.914 1.00 0.00 C ATOM 186 CZ PHE A 11 1.357 9.688 -3.239 1.00 0.00 C ATOM 0 H PHE A 11 -0.357 12.760 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 11 1.009 15.350 -1.133 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.426 14.337 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.740 13.859 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.341 12.620 -2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.832 11.824 -2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.712 10.242 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.471 9.446 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.195 8.651 -3.493 1.00 0.00 H new ATOM 196 N GLU A 12 -1.270 14.617 -3.149 1.00 0.00 N ATOM 197 CA GLU A 12 -2.082 15.088 -4.263 1.00 0.00 C ATOM 198 C GLU A 12 -2.590 16.502 -3.999 1.00 0.00 C ATOM 199 O GLU A 12 -2.646 17.332 -4.906 1.00 0.00 O ATOM 200 CB GLU A 12 -3.273 14.152 -4.475 1.00 0.00 C ATOM 201 CG GLU A 12 -4.147 14.690 -5.602 1.00 0.00 C ATOM 202 CD GLU A 12 -3.286 15.079 -6.799 1.00 0.00 C ATOM 203 OE1 GLU A 12 -2.570 14.224 -7.293 1.00 0.00 O ATOM 204 OE2 GLU A 12 -3.355 16.228 -7.206 1.00 0.00 O ATOM 0 H GLU A 12 -1.731 13.938 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.461 15.097 -5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.922 13.149 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.854 14.071 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.875 13.935 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.710 15.556 -5.253 1.00 0.00 H new ATOM 211 N SER A 13 -2.976 16.763 -2.754 1.00 0.00 N ATOM 212 CA SER A 13 -3.499 18.076 -2.386 1.00 0.00 C ATOM 213 C SER A 13 -2.496 18.874 -1.552 1.00 0.00 C ATOM 214 O SER A 13 -2.859 19.882 -0.945 1.00 0.00 O ATOM 215 CB SER A 13 -4.797 17.910 -1.597 1.00 0.00 C ATOM 216 OG SER A 13 -5.700 17.107 -2.345 1.00 0.00 O ATOM 0 H SER A 13 -2.938 16.090 -1.988 1.00 0.00 H new ATOM 0 HA SER A 13 -3.686 18.628 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.593 17.446 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.241 18.885 -1.395 1.00 0.00 H new ATOM 0 HG SER A 13 -6.534 16.997 -1.842 1.00 0.00 H new ATOM 222 N ALA A 14 -1.242 18.434 -1.524 1.00 0.00 N ATOM 223 CA ALA A 14 -0.226 19.135 -0.763 1.00 0.00 C ATOM 224 C ALA A 14 0.564 20.049 -1.674 1.00 0.00 C ATOM 225 O ALA A 14 0.803 19.720 -2.835 1.00 0.00 O ATOM 226 CB ALA A 14 0.736 18.133 -0.128 1.00 0.00 C ATOM 0 H ALA A 14 -0.912 17.604 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.719 19.720 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.496 18.669 0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.184 17.470 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.216 17.544 -0.910 1.00 0.00 H new ATOM 232 N SER A 15 1.006 21.175 -1.144 1.00 0.00 N ATOM 233 CA SER A 15 1.805 22.072 -1.945 1.00 0.00 C ATOM 234 C SER A 15 3.040 21.306 -2.384 1.00 0.00 C ATOM 235 O SER A 15 3.511 20.415 -1.670 1.00 0.00 O ATOM 236 CB SER A 15 2.207 23.304 -1.134 1.00 0.00 C ATOM 237 OG SER A 15 2.801 24.264 -2.000 1.00 0.00 O ATOM 0 H SER A 15 0.829 21.481 -0.187 1.00 0.00 H new ATOM 0 HA SER A 15 1.238 22.419 -2.809 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.333 23.732 -0.643 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.908 23.023 -0.348 1.00 0.00 H new ATOM 0 HG SER A 15 3.058 25.056 -1.483 1.00 0.00 H new ATOM 243 N ARG A 16 3.564 21.622 -3.551 1.00 0.00 N ATOM 244 CA ARG A 16 4.733 20.910 -4.016 1.00 0.00 C ATOM 245 C ARG A 16 5.731 20.816 -2.876 1.00 0.00 C ATOM 246 O ARG A 16 6.621 19.967 -2.878 1.00 0.00 O ATOM 247 CB ARG A 16 5.361 21.623 -5.215 1.00 0.00 C ATOM 248 CG ARG A 16 4.556 21.306 -6.477 1.00 0.00 C ATOM 249 CD ARG A 16 4.816 19.860 -6.902 1.00 0.00 C ATOM 250 NE ARG A 16 5.176 19.803 -8.315 1.00 0.00 N ATOM 251 CZ ARG A 16 4.377 20.309 -9.248 1.00 0.00 C ATOM 252 NH1 ARG A 16 3.256 20.882 -8.907 1.00 0.00 N ATOM 253 NH2 ARG A 16 4.715 20.236 -10.507 1.00 0.00 N ATOM 0 H ARG A 16 3.211 22.345 -4.178 1.00 0.00 H new ATOM 0 HA ARG A 16 4.444 19.910 -4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.379 22.699 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.395 21.303 -5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.493 21.455 -6.289 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.836 21.988 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.618 19.435 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.927 19.256 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 16 6.056 19.367 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.992 20.942 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.643 21.270 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.593 19.790 -10.774 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.101 20.625 -11.223 1.00 0.00 H new ATOM 267 N GLY A 17 5.559 21.693 -1.892 1.00 0.00 N ATOM 268 CA GLY A 17 6.433 21.700 -0.733 1.00 0.00 C ATOM 269 C GLY A 17 6.378 20.354 -0.022 1.00 0.00 C ATOM 270 O GLY A 17 7.414 19.802 0.348 1.00 0.00 O ATOM 0 H GLY A 17 4.826 22.402 -1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.456 21.914 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.134 22.493 -0.048 1.00 0.00 H new ATOM 274 N CYS A 18 5.170 19.812 0.155 1.00 0.00 N ATOM 275 CA CYS A 18 5.036 18.519 0.808 1.00 0.00 C ATOM 276 C CYS A 18 5.549 17.431 -0.111 1.00 0.00 C ATOM 277 O CYS A 18 6.316 16.568 0.304 1.00 0.00 O ATOM 278 CB CYS A 18 3.575 18.247 1.166 1.00 0.00 C ATOM 279 SG CYS A 18 3.427 17.999 2.952 1.00 0.00 S ATOM 0 H CYS A 18 4.293 20.241 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 18 5.623 18.528 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.951 19.083 0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.218 17.365 0.635 1.00 0.00 H new ATOM 0 HG CYS A 18 2.796 19.006 3.479 1.00 0.00 H new ATOM 285 N LEU A 19 5.129 17.467 -1.366 1.00 0.00 N ATOM 286 CA LEU A 19 5.589 16.455 -2.296 1.00 0.00 C ATOM 287 C LEU A 19 7.108 16.406 -2.263 1.00 0.00 C ATOM 288 O LEU A 19 7.706 15.343 -2.403 1.00 0.00 O ATOM 289 CB LEU A 19 5.086 16.736 -3.713 1.00 0.00 C ATOM 290 CG LEU A 19 5.586 15.645 -4.666 1.00 0.00 C ATOM 291 CD1 LEU A 19 5.374 14.259 -4.041 1.00 0.00 C ATOM 292 CD2 LEU A 19 4.813 15.731 -5.983 1.00 0.00 C ATOM 0 H LEU A 19 4.491 18.163 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 19 5.187 15.487 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.997 16.769 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.437 17.712 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 19 6.650 15.793 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.733 13.492 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.926 14.194 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.312 14.105 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.166 14.956 -6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.750 15.588 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.972 16.710 -6.435 1.00 0.00 H new ATOM 304 N ARG A 20 7.726 17.565 -2.034 1.00 0.00 N ATOM 305 CA ARG A 20 9.178 17.635 -1.932 1.00 0.00 C ATOM 306 C ARG A 20 9.599 16.966 -0.632 1.00 0.00 C ATOM 307 O ARG A 20 10.645 16.328 -0.550 1.00 0.00 O ATOM 308 CB ARG A 20 9.644 19.095 -1.957 1.00 0.00 C ATOM 309 CG ARG A 20 10.969 19.235 -1.213 1.00 0.00 C ATOM 310 CD ARG A 20 10.730 19.199 0.299 1.00 0.00 C ATOM 311 NE ARG A 20 11.339 20.363 0.935 1.00 0.00 N ATOM 312 CZ ARG A 20 11.781 20.308 2.187 1.00 0.00 C ATOM 313 NH1 ARG A 20 11.669 19.204 2.872 1.00 0.00 N ATOM 314 NH2 ARG A 20 12.329 21.360 2.732 1.00 0.00 N ATOM 0 H ARG A 20 7.247 18.458 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 20 9.636 17.123 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.759 19.430 -2.988 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.890 19.734 -1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.644 18.429 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.453 20.171 -1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.660 19.182 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.150 18.285 0.719 1.00 0.00 H new ATOM 0 HE ARG A 20 11.427 21.233 0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.242 18.381 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.009 19.163 3.833 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.418 22.224 2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.668 21.318 3.693 1.00 0.00 H new ATOM 328 N SER A 21 8.736 17.100 0.370 1.00 0.00 N ATOM 329 CA SER A 21 8.963 16.493 1.672 1.00 0.00 C ATOM 330 C SER A 21 8.956 14.971 1.514 1.00 0.00 C ATOM 331 O SER A 21 9.935 14.287 1.849 1.00 0.00 O ATOM 332 CB SER A 21 7.859 16.990 2.610 1.00 0.00 C ATOM 333 OG SER A 21 7.702 18.391 2.424 1.00 0.00 O ATOM 0 H SER A 21 7.866 17.629 0.301 1.00 0.00 H new ATOM 0 HA SER A 21 9.929 16.770 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.923 16.473 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.117 16.773 3.646 1.00 0.00 H new ATOM 0 HG SER A 21 7.491 18.575 1.485 1.00 0.00 H new ATOM 339 N LEU A 22 7.892 14.442 0.940 1.00 0.00 N ATOM 340 CA LEU A 22 7.827 13.013 0.709 1.00 0.00 C ATOM 341 C LEU A 22 8.989 12.592 -0.179 1.00 0.00 C ATOM 342 O LEU A 22 9.689 11.618 0.103 1.00 0.00 O ATOM 343 CB LEU A 22 6.520 12.645 0.019 1.00 0.00 C ATOM 344 CG LEU A 22 5.730 11.695 0.907 1.00 0.00 C ATOM 345 CD1 LEU A 22 5.196 12.445 2.115 1.00 0.00 C ATOM 346 CD2 LEU A 22 4.563 11.137 0.121 1.00 0.00 C ATOM 0 H LEU A 22 7.075 14.969 0.630 1.00 0.00 H new ATOM 0 HA LEU A 22 7.881 12.501 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.936 13.543 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.724 12.176 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 22 6.381 10.886 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.631 11.760 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.029 12.860 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.544 13.253 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.992 10.455 0.752 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.920 11.954 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.935 10.599 -0.751 1.00 0.00 H new ATOM 358 N SER A 23 9.176 13.331 -1.268 1.00 0.00 N ATOM 359 CA SER A 23 10.241 13.017 -2.197 1.00 0.00 C ATOM 360 C SER A 23 11.588 13.017 -1.501 1.00 0.00 C ATOM 361 O SER A 23 12.482 12.256 -1.867 1.00 0.00 O ATOM 362 CB SER A 23 10.231 13.964 -3.387 1.00 0.00 C ATOM 363 OG SER A 23 11.568 14.249 -3.778 1.00 0.00 O ATOM 0 H SER A 23 8.609 14.140 -1.522 1.00 0.00 H new ATOM 0 HA SER A 23 10.066 12.011 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.686 13.516 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.713 14.887 -3.127 1.00 0.00 H new ATOM 0 HG SER A 23 11.562 14.858 -4.546 1.00 0.00 H new ATOM 369 N LEU A 24 11.725 13.838 -0.469 1.00 0.00 N ATOM 370 CA LEU A 24 12.965 13.862 0.274 1.00 0.00 C ATOM 371 C LEU A 24 13.246 12.455 0.777 1.00 0.00 C ATOM 372 O LEU A 24 14.400 12.034 0.870 1.00 0.00 O ATOM 373 CB LEU A 24 12.867 14.835 1.442 1.00 0.00 C ATOM 374 CG LEU A 24 13.862 15.976 1.242 1.00 0.00 C ATOM 375 CD1 LEU A 24 15.288 15.450 1.413 1.00 0.00 C ATOM 376 CD2 LEU A 24 13.698 16.574 -0.159 1.00 0.00 C ATOM 0 H LEU A 24 11.006 14.481 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 24 13.778 14.197 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 11.854 15.231 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 13.075 14.317 2.378 1.00 0.00 H new ATOM 0 HG LEU A 24 13.670 16.751 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 24 15.996 16.266 1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.406 15.038 2.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 15.479 14.670 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 24 14.411 17.387 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.881 15.803 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.684 16.958 -0.274 1.00 0.00 H new ATOM 388 N ILE A 25 12.175 11.721 1.089 1.00 0.00 N ATOM 389 CA ILE A 25 12.332 10.345 1.566 1.00 0.00 C ATOM 390 C ILE A 25 11.662 9.320 0.645 1.00 0.00 C ATOM 391 O ILE A 25 11.343 8.213 1.080 1.00 0.00 O ATOM 392 CB ILE A 25 11.769 10.183 2.971 1.00 0.00 C ATOM 393 CG1 ILE A 25 12.342 8.899 3.580 1.00 0.00 C ATOM 394 CG2 ILE A 25 10.261 10.040 2.897 1.00 0.00 C ATOM 395 CD1 ILE A 25 13.204 9.239 4.797 1.00 0.00 C ATOM 0 H ILE A 25 11.211 12.047 1.022 1.00 0.00 H new ATOM 0 HA ILE A 25 13.405 10.153 1.570 1.00 0.00 H new ATOM 0 HB ILE A 25 12.032 11.051 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.531 8.232 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.939 8.369 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.857 9.924 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.833 10.930 2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.007 9.164 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.608 8.321 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.024 9.889 4.492 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.595 9.750 5.543 1.00 0.00 H new ATOM 407 N ILE A 26 11.444 9.678 -0.615 1.00 0.00 N ATOM 408 CA ILE A 26 10.816 8.777 -1.557 1.00 0.00 C ATOM 409 C ILE A 26 11.661 7.520 -1.758 1.00 0.00 C ATOM 410 O ILE A 26 12.866 7.604 -1.994 1.00 0.00 O ATOM 411 CB ILE A 26 10.647 9.518 -2.890 1.00 0.00 C ATOM 412 CG1 ILE A 26 9.186 9.917 -3.086 1.00 0.00 C ATOM 413 CG2 ILE A 26 11.079 8.639 -4.047 1.00 0.00 C ATOM 414 CD1 ILE A 26 8.377 8.700 -3.470 1.00 0.00 C ATOM 0 H ILE A 26 11.695 10.588 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 26 9.846 8.464 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 26 11.272 10.410 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.791 10.354 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.107 10.679 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.952 9.182 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.127 8.366 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.469 7.736 -4.065 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.334 8.985 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.766 8.282 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.446 7.953 -2.679 1.00 0.00 H new ATOM 426 N LYS A 27 11.018 6.357 -1.694 1.00 0.00 N ATOM 427 CA LYS A 27 11.728 5.100 -1.905 1.00 0.00 C ATOM 428 C LYS A 27 11.111 4.347 -3.084 1.00 0.00 C ATOM 429 O LYS A 27 9.918 4.477 -3.354 1.00 0.00 O ATOM 430 CB LYS A 27 11.689 4.236 -0.639 1.00 0.00 C ATOM 431 CG LYS A 27 11.757 5.136 0.598 1.00 0.00 C ATOM 432 CD LYS A 27 13.154 5.747 0.710 1.00 0.00 C ATOM 433 CE LYS A 27 13.612 5.713 2.169 1.00 0.00 C ATOM 434 NZ LYS A 27 14.895 6.458 2.306 1.00 0.00 N ATOM 0 H LYS A 27 10.021 6.259 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 27 12.771 5.321 -2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.775 3.642 -0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.524 3.536 -0.638 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.008 5.925 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.529 4.558 1.494 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.855 5.194 0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.143 6.774 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.851 6.158 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.742 4.681 2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.206 6.435 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.619 6.015 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.756 7.445 2.010 1.00 0.00 H new ATOM 448 N THR A 28 11.925 3.570 -3.792 1.00 0.00 N ATOM 449 CA THR A 28 11.429 2.819 -4.943 1.00 0.00 C ATOM 450 C THR A 28 11.767 1.333 -4.821 1.00 0.00 C ATOM 451 O THR A 28 12.865 0.967 -4.400 1.00 0.00 O ATOM 452 CB THR A 28 12.039 3.377 -6.231 1.00 0.00 C ATOM 453 OG1 THR A 28 13.455 3.275 -6.166 1.00 0.00 O ATOM 454 CG2 THR A 28 11.640 4.845 -6.393 1.00 0.00 C ATOM 0 H THR A 28 12.918 3.444 -3.594 1.00 0.00 H new ATOM 0 HA THR A 28 10.345 2.925 -4.972 1.00 0.00 H new ATOM 0 HB THR A 28 11.671 2.806 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.847 3.630 -6.991 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.075 5.241 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.554 4.923 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.006 5.418 -5.541 1.00 0.00 H new ATOM 462 N SER A 29 10.814 0.482 -5.202 1.00 0.00 N ATOM 463 CA SER A 29 11.015 -0.965 -5.143 1.00 0.00 C ATOM 464 C SER A 29 10.465 -1.621 -6.409 1.00 0.00 C ATOM 465 O SER A 29 9.371 -1.293 -6.864 1.00 0.00 O ATOM 466 CB SER A 29 10.306 -1.542 -3.916 1.00 0.00 C ATOM 467 OG SER A 29 9.101 -0.822 -3.691 1.00 0.00 O ATOM 0 H SER A 29 9.900 0.768 -5.553 1.00 0.00 H new ATOM 0 HA SER A 29 12.083 -1.169 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.089 -2.599 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.953 -1.474 -3.042 1.00 0.00 H new ATOM 0 HG SER A 29 9.216 -0.224 -2.923 1.00 0.00 H new ATOM 473 N PHE A 30 11.231 -2.545 -6.979 1.00 0.00 N ATOM 474 CA PHE A 30 10.797 -3.225 -8.200 1.00 0.00 C ATOM 475 C PHE A 30 10.840 -4.742 -8.034 1.00 0.00 C ATOM 476 O PHE A 30 11.736 -5.281 -7.385 1.00 0.00 O ATOM 477 CB PHE A 30 11.693 -2.813 -9.371 1.00 0.00 C ATOM 478 CG PHE A 30 13.142 -3.017 -8.997 1.00 0.00 C ATOM 479 CD1 PHE A 30 13.682 -4.308 -8.970 1.00 0.00 C ATOM 480 CD2 PHE A 30 13.946 -1.916 -8.678 1.00 0.00 C ATOM 481 CE1 PHE A 30 15.025 -4.498 -8.623 1.00 0.00 C ATOM 482 CE2 PHE A 30 15.288 -2.106 -8.331 1.00 0.00 C ATOM 483 CZ PHE A 30 15.828 -3.397 -8.303 1.00 0.00 C ATOM 0 H PHE A 30 12.141 -2.839 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 30 9.767 -2.931 -8.402 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.448 -3.403 -10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.517 -1.768 -9.627 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.063 -5.158 -9.217 1.00 0.00 H new ATOM 0 HD2 PHE A 30 13.530 -0.920 -8.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 15.442 -5.494 -8.602 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.907 -1.256 -8.085 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.864 -3.544 -8.035 1.00 0.00 H new ATOM 493 N CYS A 31 9.868 -5.425 -8.638 1.00 0.00 N ATOM 494 CA CYS A 31 9.807 -6.882 -8.564 1.00 0.00 C ATOM 495 C CYS A 31 9.774 -7.490 -9.961 1.00 0.00 C ATOM 496 O CYS A 31 9.318 -6.859 -10.915 1.00 0.00 O ATOM 497 CB CYS A 31 8.570 -7.333 -7.786 1.00 0.00 C ATOM 498 SG CYS A 31 8.375 -6.307 -6.309 1.00 0.00 S ATOM 0 H CYS A 31 9.118 -4.996 -9.180 1.00 0.00 H new ATOM 0 HA CYS A 31 10.701 -7.227 -8.044 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.683 -7.254 -8.415 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.668 -8.381 -7.503 1.00 0.00 H new ATOM 0 HG CYS A 31 7.322 -6.691 -5.650 1.00 0.00 H new ATOM 504 N ALA A 32 10.272 -8.714 -10.069 1.00 0.00 N ATOM 505 CA ALA A 32 10.319 -9.408 -11.348 1.00 0.00 C ATOM 506 C ALA A 32 9.375 -10.611 -11.347 1.00 0.00 C ATOM 507 O ALA A 32 8.845 -10.990 -10.303 1.00 0.00 O ATOM 508 CB ALA A 32 11.747 -9.891 -11.592 1.00 0.00 C ATOM 0 H ALA A 32 10.649 -9.247 -9.286 1.00 0.00 H new ATOM 0 HA ALA A 32 10.006 -8.722 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.796 -10.413 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.422 -9.036 -11.611 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.043 -10.570 -10.792 1.00 0.00 H new ATOM 514 N PRO A 33 9.169 -11.234 -12.482 1.00 0.00 N ATOM 515 CA PRO A 33 8.290 -12.435 -12.570 1.00 0.00 C ATOM 516 C PRO A 33 8.867 -13.581 -11.743 1.00 0.00 C ATOM 517 O PRO A 33 10.041 -13.925 -11.885 1.00 0.00 O ATOM 518 CB PRO A 33 8.276 -12.789 -14.065 1.00 0.00 C ATOM 519 CG PRO A 33 8.817 -11.593 -14.777 1.00 0.00 C ATOM 520 CD PRO A 33 9.729 -10.870 -13.791 1.00 0.00 C ATOM 0 HA PRO A 33 7.288 -12.252 -12.181 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.887 -13.670 -14.263 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.265 -13.019 -14.402 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.369 -11.891 -15.668 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.009 -10.940 -15.106 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.765 -11.194 -13.889 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.716 -9.791 -13.948 1.00 0.00 H new ATOM 528 N GLY A 34 8.052 -14.158 -10.868 1.00 0.00 N ATOM 529 CA GLY A 34 8.525 -15.247 -10.024 1.00 0.00 C ATOM 530 C GLY A 34 9.487 -14.719 -8.963 1.00 0.00 C ATOM 531 O GLY A 34 10.071 -15.489 -8.201 1.00 0.00 O ATOM 0 H GLY A 34 7.077 -13.895 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.678 -15.738 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.025 -15.999 -10.635 1.00 0.00 H new ATOM 535 N GLU A 35 9.659 -13.396 -8.929 1.00 0.00 N ATOM 536 CA GLU A 35 10.569 -12.776 -7.965 1.00 0.00 C ATOM 537 C GLU A 35 9.924 -12.684 -6.584 1.00 0.00 C ATOM 538 O GLU A 35 8.812 -12.191 -6.443 1.00 0.00 O ATOM 539 CB GLU A 35 10.975 -11.386 -8.446 1.00 0.00 C ATOM 540 CG GLU A 35 12.446 -11.153 -8.129 1.00 0.00 C ATOM 541 CD GLU A 35 13.315 -11.672 -9.270 1.00 0.00 C ATOM 542 OE1 GLU A 35 13.043 -12.761 -9.747 1.00 0.00 O ATOM 543 OE2 GLU A 35 14.240 -10.973 -9.649 1.00 0.00 O ATOM 0 H GLU A 35 9.186 -12.740 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 35 11.458 -13.402 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.804 -11.295 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.362 -10.627 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.629 -10.089 -7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 35 12.711 -11.659 -7.200 1.00 0.00 H new ATOM 550 N PHE A 36 10.629 -13.173 -5.566 1.00 0.00 N ATOM 551 CA PHE A 36 10.099 -13.153 -4.204 1.00 0.00 C ATOM 552 C PHE A 36 10.616 -11.953 -3.413 1.00 0.00 C ATOM 553 O PHE A 36 11.806 -11.860 -3.114 1.00 0.00 O ATOM 554 CB PHE A 36 10.479 -14.444 -3.482 1.00 0.00 C ATOM 555 CG PHE A 36 10.959 -15.459 -4.493 1.00 0.00 C ATOM 556 CD1 PHE A 36 12.265 -15.384 -4.993 1.00 0.00 C ATOM 557 CD2 PHE A 36 10.098 -16.471 -4.933 1.00 0.00 C ATOM 558 CE1 PHE A 36 12.709 -16.323 -5.932 1.00 0.00 C ATOM 559 CE2 PHE A 36 10.542 -17.409 -5.872 1.00 0.00 C ATOM 560 CZ PHE A 36 11.848 -17.335 -6.371 1.00 0.00 C ATOM 0 H PHE A 36 11.558 -13.584 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 36 9.014 -13.069 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.260 -14.247 -2.748 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.620 -14.835 -2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.929 -14.603 -4.655 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.091 -16.528 -4.548 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.716 -16.266 -6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.877 -18.190 -6.212 1.00 0.00 H new ATOM 0 HZ PHE A 36 12.191 -18.059 -7.095 1.00 0.00 H new ATOM 570 N LEU A 37 9.708 -11.035 -3.075 1.00 0.00 N ATOM 571 CA LEU A 37 10.083 -9.844 -2.314 1.00 0.00 C ATOM 572 C LEU A 37 9.893 -10.050 -0.809 1.00 0.00 C ATOM 573 O LEU A 37 10.600 -9.440 -0.007 1.00 0.00 O ATOM 574 CB LEU A 37 9.262 -8.638 -2.775 1.00 0.00 C ATOM 575 CG LEU A 37 10.063 -7.838 -3.803 1.00 0.00 C ATOM 576 CD1 LEU A 37 11.335 -7.293 -3.152 1.00 0.00 C ATOM 577 CD2 LEU A 37 10.437 -8.749 -4.975 1.00 0.00 C ATOM 0 H LEU A 37 8.718 -11.093 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 37 11.141 -9.658 -2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.320 -8.971 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.012 -8.007 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 37 9.460 -7.006 -4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.904 -6.723 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.068 -6.645 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.941 -8.122 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.008 -8.181 -5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.040 -9.581 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.530 -9.134 -5.440 1.00 0.00 H new ATOM 589 N ILE A 38 8.948 -10.911 -0.420 1.00 0.00 N ATOM 590 CA ILE A 38 8.713 -11.168 0.989 1.00 0.00 C ATOM 591 C ILE A 38 8.514 -12.649 1.214 1.00 0.00 C ATOM 592 O ILE A 38 7.928 -13.341 0.392 1.00 0.00 O ATOM 593 CB ILE A 38 7.495 -10.381 1.510 1.00 0.00 C ATOM 594 CG1 ILE A 38 7.849 -9.642 2.794 1.00 0.00 C ATOM 595 CG2 ILE A 38 6.360 -11.329 1.841 1.00 0.00 C ATOM 596 CD1 ILE A 38 8.066 -8.170 2.461 1.00 0.00 C ATOM 0 H ILE A 38 8.345 -11.432 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 38 9.588 -10.832 1.546 1.00 0.00 H new ATOM 0 HB ILE A 38 7.200 -9.679 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.049 -9.751 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.749 -10.066 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.506 -10.760 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.072 -11.879 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.685 -12.031 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.321 -7.625 3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.879 -8.076 1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.153 -7.755 2.033 1.00 0.00 H new ATOM 608 N ARG A 39 9.006 -13.131 2.329 1.00 0.00 N ATOM 609 CA ARG A 39 8.860 -14.531 2.637 1.00 0.00 C ATOM 610 C ARG A 39 8.340 -14.711 4.058 1.00 0.00 C ATOM 611 O ARG A 39 9.071 -14.485 5.020 1.00 0.00 O ATOM 612 CB ARG A 39 10.191 -15.226 2.447 1.00 0.00 C ATOM 613 CG ARG A 39 10.590 -15.136 0.983 1.00 0.00 C ATOM 614 CD ARG A 39 9.596 -15.938 0.141 1.00 0.00 C ATOM 615 NE ARG A 39 10.248 -16.444 -1.061 1.00 0.00 N ATOM 616 CZ ARG A 39 11.171 -17.396 -0.994 1.00 0.00 C ATOM 617 NH1 ARG A 39 11.509 -17.897 0.164 1.00 0.00 N ATOM 618 NH2 ARG A 39 11.741 -17.831 -2.084 1.00 0.00 N ATOM 0 H ARG A 39 9.505 -12.583 3.030 1.00 0.00 H new ATOM 0 HA ARG A 39 8.132 -14.980 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.952 -14.761 3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.119 -16.269 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.602 -14.095 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.599 -15.524 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.200 -16.768 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.749 -15.309 -0.133 1.00 0.00 H new ATOM 0 HE ARG A 39 9.990 -16.060 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.064 -17.557 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.218 -18.628 0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.478 -17.440 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.450 -18.562 -2.032 1.00 0.00 H new ATOM 632 N GLN A 40 7.070 -15.106 4.171 1.00 0.00 N ATOM 633 CA GLN A 40 6.430 -15.309 5.474 1.00 0.00 C ATOM 634 C GLN A 40 7.438 -15.182 6.614 1.00 0.00 C ATOM 635 O GLN A 40 8.459 -15.871 6.633 1.00 0.00 O ATOM 636 CB GLN A 40 5.773 -16.693 5.514 1.00 0.00 C ATOM 637 CG GLN A 40 5.738 -17.215 6.955 1.00 0.00 C ATOM 638 CD GLN A 40 4.866 -18.463 7.037 1.00 0.00 C ATOM 639 OE1 GLN A 40 4.843 -19.299 6.035 1.00 0.00 O flip ATOM 640 NE2 GLN A 40 4.188 -18.684 8.040 1.00 0.00 N flip ATOM 0 H GLN A 40 6.462 -15.292 3.373 1.00 0.00 H new ATOM 0 HA GLN A 40 5.673 -14.536 5.606 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.760 -16.636 5.114 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.327 -17.386 4.881 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.749 -17.445 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.348 -16.445 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.207 -18.030 8.823 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.607 -19.521 8.089 1.00 0.00 H new ATOM 649 N GLY A 41 7.141 -14.299 7.563 1.00 0.00 N ATOM 650 CA GLY A 41 8.026 -14.088 8.701 1.00 0.00 C ATOM 651 C GLY A 41 8.931 -12.882 8.469 1.00 0.00 C ATOM 652 O GLY A 41 9.847 -12.623 9.249 1.00 0.00 O ATOM 0 H GLY A 41 6.300 -13.722 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.434 -13.936 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.634 -14.978 8.864 1.00 0.00 H new ATOM 656 N ASP A 42 8.673 -12.152 7.388 1.00 0.00 N ATOM 657 CA ASP A 42 9.480 -10.980 7.062 1.00 0.00 C ATOM 658 C ASP A 42 9.038 -9.771 7.881 1.00 0.00 C ATOM 659 O ASP A 42 8.146 -9.872 8.722 1.00 0.00 O ATOM 660 CB ASP A 42 9.368 -10.661 5.571 1.00 0.00 C ATOM 661 CG ASP A 42 10.481 -11.371 4.806 1.00 0.00 C ATOM 662 OD1 ASP A 42 11.137 -12.210 5.399 1.00 0.00 O ATOM 663 OD2 ASP A 42 10.663 -11.062 3.640 1.00 0.00 O ATOM 0 H ASP A 42 7.920 -12.348 6.729 1.00 0.00 H new ATOM 0 HA ASP A 42 10.518 -11.205 7.306 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.396 -10.978 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.436 -9.584 5.414 1.00 0.00 H new ATOM 668 N ALA A 43 9.677 -8.631 7.632 1.00 0.00 N ATOM 669 CA ALA A 43 9.351 -7.409 8.358 1.00 0.00 C ATOM 670 C ALA A 43 8.861 -6.318 7.406 1.00 0.00 C ATOM 671 O ALA A 43 9.578 -5.912 6.491 1.00 0.00 O ATOM 672 CB ALA A 43 10.587 -6.910 9.108 1.00 0.00 C ATOM 0 H ALA A 43 10.418 -8.529 6.938 1.00 0.00 H new ATOM 0 HA ALA A 43 8.553 -7.636 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.340 -5.997 9.649 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.917 -7.672 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.386 -6.705 8.396 1.00 0.00 H new ATOM 678 N LEU A 44 7.638 -5.844 7.633 1.00 0.00 N ATOM 679 CA LEU A 44 7.062 -4.794 6.799 1.00 0.00 C ATOM 680 C LEU A 44 7.232 -3.432 7.466 1.00 0.00 C ATOM 681 O LEU A 44 6.794 -3.228 8.597 1.00 0.00 O ATOM 682 CB LEU A 44 5.582 -5.064 6.561 1.00 0.00 C ATOM 683 CG LEU A 44 5.153 -4.380 5.264 1.00 0.00 C ATOM 684 CD1 LEU A 44 5.923 -4.974 4.083 1.00 0.00 C ATOM 685 CD2 LEU A 44 3.664 -4.606 5.054 1.00 0.00 C ATOM 0 H LEU A 44 7.030 -6.169 8.384 1.00 0.00 H new ATOM 0 HA LEU A 44 7.585 -4.789 5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.401 -6.137 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.992 -4.689 7.397 1.00 0.00 H new ATOM 0 HG LEU A 44 5.364 -3.313 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.612 -4.482 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.992 -4.823 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.714 -6.041 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.349 -4.121 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.464 -5.675 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.110 -4.184 5.892 1.00 0.00 H new ATOM 697 N GLN A 45 7.876 -2.505 6.763 1.00 0.00 N ATOM 698 CA GLN A 45 8.101 -1.172 7.310 1.00 0.00 C ATOM 699 C GLN A 45 7.560 -0.091 6.379 1.00 0.00 C ATOM 700 O GLN A 45 7.222 1.007 6.823 1.00 0.00 O ATOM 701 CB GLN A 45 9.596 -0.947 7.533 1.00 0.00 C ATOM 702 CG GLN A 45 9.913 -1.094 9.022 1.00 0.00 C ATOM 703 CD GLN A 45 9.479 0.159 9.777 1.00 0.00 C ATOM 704 OE1 GLN A 45 9.089 0.077 10.942 1.00 0.00 O ATOM 705 NE2 GLN A 45 9.522 1.319 9.181 1.00 0.00 N ATOM 0 H GLN A 45 8.247 -2.650 5.824 1.00 0.00 H new ATOM 0 HA GLN A 45 7.570 -1.106 8.260 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.174 -1.667 6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.882 0.046 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.401 -1.967 9.426 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.982 -1.259 9.160 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.845 1.385 8.216 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.232 2.160 9.680 1.00 0.00 H new ATOM 714 N ALA A 46 7.494 -0.396 5.087 1.00 0.00 N ATOM 715 CA ALA A 46 7.007 0.575 4.114 1.00 0.00 C ATOM 716 C ALA A 46 5.793 0.044 3.358 1.00 0.00 C ATOM 717 O ALA A 46 5.468 -1.141 3.428 1.00 0.00 O ATOM 718 CB ALA A 46 8.117 0.909 3.115 1.00 0.00 C ATOM 0 H ALA A 46 7.768 -1.296 4.693 1.00 0.00 H new ATOM 0 HA ALA A 46 6.710 1.472 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.748 1.635 2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.971 1.329 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.424 0.001 2.595 1.00 0.00 H new ATOM 724 N ILE A 47 5.137 0.937 2.620 1.00 0.00 N ATOM 725 CA ILE A 47 3.968 0.565 1.828 1.00 0.00 C ATOM 726 C ILE A 47 4.285 0.745 0.348 1.00 0.00 C ATOM 727 O ILE A 47 4.942 1.715 -0.029 1.00 0.00 O ATOM 728 CB ILE A 47 2.769 1.436 2.215 1.00 0.00 C ATOM 729 CG1 ILE A 47 1.625 1.198 1.224 1.00 0.00 C ATOM 730 CG2 ILE A 47 3.175 2.911 2.178 1.00 0.00 C ATOM 731 CD1 ILE A 47 0.333 1.809 1.774 1.00 0.00 C ATOM 0 H ILE A 47 5.395 1.922 2.554 1.00 0.00 H new ATOM 0 HA ILE A 47 3.718 -0.478 2.023 1.00 0.00 H new ATOM 0 HB ILE A 47 2.441 1.175 3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.868 1.643 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.491 0.129 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.321 3.530 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.990 3.082 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.504 3.173 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.479 1.639 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.088 1.343 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.470 2.881 1.918 1.00 0.00 H new ATOM 743 N TYR A 48 3.832 -0.193 -0.486 1.00 0.00 N ATOM 744 CA TYR A 48 4.110 -0.112 -1.919 1.00 0.00 C ATOM 745 C TYR A 48 2.838 0.053 -2.745 1.00 0.00 C ATOM 746 O TYR A 48 1.754 -0.370 -2.345 1.00 0.00 O ATOM 747 CB TYR A 48 4.833 -1.372 -2.433 1.00 0.00 C ATOM 748 CG TYR A 48 5.722 -1.997 -1.375 1.00 0.00 C ATOM 749 CD1 TYR A 48 5.195 -2.426 -0.148 1.00 0.00 C ATOM 750 CD2 TYR A 48 7.085 -2.167 -1.642 1.00 0.00 C ATOM 751 CE1 TYR A 48 6.033 -3.020 0.805 1.00 0.00 C ATOM 752 CE2 TYR A 48 7.920 -2.760 -0.690 1.00 0.00 C ATOM 753 CZ TYR A 48 7.395 -3.186 0.534 1.00 0.00 C ATOM 754 OH TYR A 48 8.221 -3.772 1.472 1.00 0.00 O ATOM 0 H TYR A 48 3.281 -1.003 -0.200 1.00 0.00 H new ATOM 0 HA TYR A 48 4.746 0.765 -2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.095 -2.103 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.435 -1.113 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.143 -2.298 0.062 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.493 -1.839 -2.587 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.627 -3.350 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.971 -2.889 -0.900 1.00 0.00 H new ATOM 0 HH TYR A 48 9.136 -3.811 1.123 1.00 0.00 H new ATOM 764 N PHE A 49 3.013 0.629 -3.931 1.00 0.00 N ATOM 765 CA PHE A 49 1.922 0.816 -4.878 1.00 0.00 C ATOM 766 C PHE A 49 2.359 0.250 -6.215 1.00 0.00 C ATOM 767 O PHE A 49 3.477 0.501 -6.662 1.00 0.00 O ATOM 768 CB PHE A 49 1.598 2.298 -5.077 1.00 0.00 C ATOM 769 CG PHE A 49 0.103 2.529 -5.015 1.00 0.00 C ATOM 770 CD1 PHE A 49 -0.711 2.287 -6.141 1.00 0.00 C ATOM 771 CD2 PHE A 49 -0.471 3.009 -3.831 1.00 0.00 C ATOM 772 CE1 PHE A 49 -2.089 2.527 -6.068 1.00 0.00 C ATOM 773 CE2 PHE A 49 -1.850 3.242 -3.763 1.00 0.00 C ATOM 774 CZ PHE A 49 -2.657 3.002 -4.880 1.00 0.00 C ATOM 0 H PHE A 49 3.913 0.978 -4.260 1.00 0.00 H new ATOM 0 HA PHE A 49 1.036 0.315 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.095 2.891 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.984 2.634 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.273 1.918 -7.057 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.151 3.200 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.714 2.345 -6.930 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.291 3.607 -2.847 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.720 3.183 -4.826 1.00 0.00 H new ATOM 784 N VAL A 50 1.493 -0.498 -6.852 1.00 0.00 N ATOM 785 CA VAL A 50 1.823 -1.070 -8.130 1.00 0.00 C ATOM 786 C VAL A 50 1.240 -0.198 -9.238 1.00 0.00 C ATOM 787 O VAL A 50 0.077 0.194 -9.182 1.00 0.00 O ATOM 788 CB VAL A 50 1.289 -2.497 -8.151 1.00 0.00 C ATOM 789 CG1 VAL A 50 0.482 -2.727 -9.405 1.00 0.00 C ATOM 790 CG2 VAL A 50 2.453 -3.486 -8.093 1.00 0.00 C ATOM 0 H VAL A 50 0.560 -0.723 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 50 2.900 -1.107 -8.296 1.00 0.00 H new ATOM 0 HB VAL A 50 0.647 -2.649 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.104 -3.749 -9.412 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.356 -2.030 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.114 -2.568 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.066 -4.505 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.104 -3.332 -8.953 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.020 -3.327 -7.176 1.00 0.00 H new ATOM 800 N CYS A 51 2.060 0.123 -10.229 1.00 0.00 N ATOM 801 CA CYS A 51 1.610 0.968 -11.328 1.00 0.00 C ATOM 802 C CYS A 51 1.321 0.123 -12.565 1.00 0.00 C ATOM 803 O CYS A 51 0.507 0.495 -13.410 1.00 0.00 O ATOM 804 CB CYS A 51 2.683 2.007 -11.657 1.00 0.00 C ATOM 805 SG CYS A 51 2.375 2.694 -13.303 1.00 0.00 S ATOM 0 H CYS A 51 3.030 -0.185 -10.296 1.00 0.00 H new ATOM 0 HA CYS A 51 0.694 1.475 -11.025 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.674 2.803 -10.912 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.671 1.548 -11.622 1.00 0.00 H new ATOM 0 HG CYS A 51 1.397 2.049 -13.867 1.00 0.00 H new ATOM 811 N SER A 52 1.996 -1.017 -12.659 1.00 0.00 N ATOM 812 CA SER A 52 1.812 -1.917 -13.789 1.00 0.00 C ATOM 813 C SER A 52 2.484 -3.256 -13.510 1.00 0.00 C ATOM 814 O SER A 52 3.529 -3.307 -12.868 1.00 0.00 O ATOM 815 CB SER A 52 2.407 -1.298 -15.054 1.00 0.00 C ATOM 816 OG SER A 52 3.478 -2.111 -15.515 1.00 0.00 O ATOM 0 H SER A 52 2.674 -1.338 -11.968 1.00 0.00 H new ATOM 0 HA SER A 52 0.744 -2.078 -13.936 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.642 -1.212 -15.826 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.764 -0.289 -14.846 1.00 0.00 H new ATOM 0 HG SER A 52 3.861 -1.718 -16.327 1.00 0.00 H new ATOM 822 N GLY A 53 1.873 -4.336 -13.988 1.00 0.00 N ATOM 823 CA GLY A 53 2.423 -5.673 -13.774 1.00 0.00 C ATOM 824 C GLY A 53 1.453 -6.528 -12.966 1.00 0.00 C ATOM 825 O GLY A 53 0.258 -6.239 -12.918 1.00 0.00 O ATOM 0 H GLY A 53 1.004 -4.314 -14.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.622 -6.148 -14.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.376 -5.601 -13.250 1.00 0.00 H new ATOM 829 N SER A 54 1.963 -7.583 -12.330 1.00 0.00 N ATOM 830 CA SER A 54 1.095 -8.455 -11.535 1.00 0.00 C ATOM 831 C SER A 54 1.881 -9.188 -10.451 1.00 0.00 C ATOM 832 O SER A 54 3.028 -9.585 -10.662 1.00 0.00 O ATOM 833 CB SER A 54 0.407 -9.476 -12.444 1.00 0.00 C ATOM 834 OG SER A 54 0.893 -9.326 -13.772 1.00 0.00 O ATOM 0 H SER A 54 2.947 -7.851 -12.347 1.00 0.00 H new ATOM 0 HA SER A 54 0.347 -7.827 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.600 -10.487 -12.086 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.673 -9.331 -12.421 1.00 0.00 H new ATOM 0 HG SER A 54 0.259 -9.730 -14.400 1.00 0.00 H new ATOM 840 N MET A 55 1.255 -9.375 -9.289 1.00 0.00 N ATOM 841 CA MET A 55 1.922 -10.073 -8.194 1.00 0.00 C ATOM 842 C MET A 55 0.912 -10.687 -7.230 1.00 0.00 C ATOM 843 O MET A 55 -0.282 -10.387 -7.288 1.00 0.00 O ATOM 844 CB MET A 55 2.853 -9.118 -7.445 1.00 0.00 C ATOM 845 CG MET A 55 2.113 -7.827 -7.111 1.00 0.00 C ATOM 846 SD MET A 55 2.037 -7.625 -5.313 1.00 0.00 S ATOM 847 CE MET A 55 3.241 -6.280 -5.187 1.00 0.00 C ATOM 0 H MET A 55 0.307 -9.060 -9.085 1.00 0.00 H new ATOM 0 HA MET A 55 2.512 -10.882 -8.624 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.212 -9.589 -6.530 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.729 -8.898 -8.055 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.622 -6.976 -7.562 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.106 -7.854 -7.528 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.276 -5.918 -4.159 1.00 0.00 H new ATOM 0 HE2 MET A 55 4.226 -6.645 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 55 2.947 -5.465 -5.849 1.00 0.00 H new ATOM 857 N GLU A 56 1.401 -11.569 -6.360 1.00 0.00 N ATOM 858 CA GLU A 56 0.535 -12.248 -5.405 1.00 0.00 C ATOM 859 C GLU A 56 1.313 -12.692 -4.165 1.00 0.00 C ATOM 860 O GLU A 56 2.495 -13.028 -4.255 1.00 0.00 O ATOM 861 CB GLU A 56 -0.066 -13.488 -6.071 1.00 0.00 C ATOM 862 CG GLU A 56 -0.140 -13.278 -7.584 1.00 0.00 C ATOM 863 CD GLU A 56 -0.694 -14.531 -8.254 1.00 0.00 C ATOM 864 OE1 GLU A 56 -0.122 -15.589 -8.052 1.00 0.00 O ATOM 865 OE2 GLU A 56 -1.682 -14.412 -8.960 1.00 0.00 O ATOM 0 H GLU A 56 2.386 -11.827 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.245 -11.551 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.542 -14.364 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.062 -13.680 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.776 -12.422 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.851 -13.052 -7.978 1.00 0.00 H new ATOM 872 N VAL A 57 0.634 -12.731 -3.018 1.00 0.00 N ATOM 873 CA VAL A 57 1.270 -13.187 -1.783 1.00 0.00 C ATOM 874 C VAL A 57 0.954 -14.670 -1.609 1.00 0.00 C ATOM 875 O VAL A 57 -0.186 -15.087 -1.837 1.00 0.00 O ATOM 876 CB VAL A 57 0.791 -12.370 -0.578 1.00 0.00 C ATOM 877 CG1 VAL A 57 0.479 -10.939 -1.017 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.461 -13.001 0.021 1.00 0.00 C ATOM 0 H VAL A 57 -0.343 -12.456 -2.919 1.00 0.00 H new ATOM 0 HA VAL A 57 2.349 -13.044 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 57 1.579 -12.358 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.139 -10.361 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.378 -10.481 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.302 -10.954 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.792 -12.412 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.251 -13.026 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.237 -14.017 0.345 1.00 0.00 H new ATOM 888 N LEU A 58 1.976 -15.466 -1.262 1.00 0.00 N ATOM 889 CA LEU A 58 1.806 -16.913 -1.136 1.00 0.00 C ATOM 890 C LEU A 58 1.769 -17.380 0.310 1.00 0.00 C ATOM 891 O LEU A 58 2.715 -17.179 1.071 1.00 0.00 O ATOM 892 CB LEU A 58 2.952 -17.623 -1.868 1.00 0.00 C ATOM 893 CG LEU A 58 2.395 -18.439 -3.039 1.00 0.00 C ATOM 894 CD1 LEU A 58 3.520 -19.261 -3.669 1.00 0.00 C ATOM 895 CD2 LEU A 58 1.301 -19.382 -2.534 1.00 0.00 C ATOM 0 H LEU A 58 2.920 -15.132 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 58 0.843 -17.165 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.671 -16.890 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.486 -18.277 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 58 1.976 -17.762 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.124 -19.842 -4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.300 -18.592 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.939 -19.936 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.906 -19.961 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.719 -20.058 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.497 -18.799 -2.085 1.00 0.00 H new ATOM 907 N LYS A 59 0.662 -18.022 0.669 1.00 0.00 N ATOM 908 CA LYS A 59 0.495 -18.539 2.016 1.00 0.00 C ATOM 909 C LYS A 59 -0.622 -19.585 2.068 1.00 0.00 C ATOM 910 O LYS A 59 -1.631 -19.465 1.374 1.00 0.00 O ATOM 911 CB LYS A 59 0.206 -17.384 2.968 1.00 0.00 C ATOM 912 CG LYS A 59 -0.298 -17.905 4.322 1.00 0.00 C ATOM 913 CD LYS A 59 0.791 -18.738 5.014 1.00 0.00 C ATOM 914 CE LYS A 59 1.993 -17.852 5.338 1.00 0.00 C ATOM 915 NZ LYS A 59 1.513 -16.573 5.933 1.00 0.00 N ATOM 0 H LYS A 59 -0.128 -18.194 0.047 1.00 0.00 H new ATOM 0 HA LYS A 59 1.417 -19.032 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.110 -16.793 3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.540 -16.722 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.583 -17.067 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.191 -18.512 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.397 -19.181 5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.098 -19.561 4.368 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.659 -18.363 6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.568 -17.653 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.306 -16.088 6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.127 -15.965 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.770 -16.773 6.633 1.00 0.00 H new ATOM 929 N ASP A 60 -0.431 -20.604 2.900 1.00 0.00 N ATOM 930 CA ASP A 60 -1.419 -21.670 3.053 1.00 0.00 C ATOM 931 C ASP A 60 -1.678 -22.399 1.737 1.00 0.00 C ATOM 932 O ASP A 60 -2.822 -22.708 1.401 1.00 0.00 O ATOM 933 CB ASP A 60 -2.732 -21.083 3.574 1.00 0.00 C ATOM 934 CG ASP A 60 -2.665 -20.925 5.089 1.00 0.00 C ATOM 935 OD1 ASP A 60 -1.688 -20.370 5.564 1.00 0.00 O ATOM 936 OD2 ASP A 60 -3.592 -21.360 5.752 1.00 0.00 O ATOM 0 H ASP A 60 0.400 -20.715 3.480 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.019 -22.392 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.919 -20.116 3.107 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.564 -21.734 3.304 1.00 0.00 H new ATOM 941 N ASN A 61 -0.606 -22.703 1.012 1.00 0.00 N ATOM 942 CA ASN A 61 -0.724 -23.431 -0.247 1.00 0.00 C ATOM 943 C ASN A 61 -1.438 -22.607 -1.314 1.00 0.00 C ATOM 944 O ASN A 61 -1.495 -23.010 -2.475 1.00 0.00 O ATOM 945 CB ASN A 61 -1.492 -24.733 -0.019 1.00 0.00 C ATOM 946 CG ASN A 61 -0.769 -25.891 -0.699 1.00 0.00 C ATOM 947 OD1 ASN A 61 -0.104 -25.696 -1.716 1.00 0.00 O ATOM 948 ND2 ASN A 61 -0.861 -27.091 -0.196 1.00 0.00 N ATOM 0 H ASN A 61 0.349 -22.458 1.273 1.00 0.00 H new ATOM 0 HA ASN A 61 0.285 -23.643 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.584 -24.928 1.049 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.504 -24.642 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.381 -27.871 -0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.413 -27.250 0.647 1.00 0.00 H new ATOM 955 N THR A 62 -1.976 -21.455 -0.929 1.00 0.00 N ATOM 956 CA THR A 62 -2.671 -20.608 -1.893 1.00 0.00 C ATOM 957 C THR A 62 -2.175 -19.190 -1.804 1.00 0.00 C ATOM 958 O THR A 62 -1.679 -18.755 -0.765 1.00 0.00 O ATOM 959 CB THR A 62 -4.175 -20.593 -1.637 1.00 0.00 C ATOM 960 OG1 THR A 62 -4.658 -21.928 -1.564 1.00 0.00 O ATOM 961 CG2 THR A 62 -4.885 -19.845 -2.781 1.00 0.00 C ATOM 0 H THR A 62 -1.947 -21.091 0.023 1.00 0.00 H new ATOM 0 HA THR A 62 -2.471 -21.022 -2.881 1.00 0.00 H new ATOM 0 HB THR A 62 -4.378 -20.085 -0.694 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.624 -21.918 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.959 -19.835 -2.597 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.516 -18.821 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.683 -20.349 -3.726 1.00 0.00 H new ATOM 969 N VAL A 63 -2.350 -18.458 -2.883 1.00 0.00 N ATOM 970 CA VAL A 63 -1.956 -17.077 -2.881 1.00 0.00 C ATOM 971 C VAL A 63 -2.932 -16.318 -1.997 1.00 0.00 C ATOM 972 O VAL A 63 -4.135 -16.306 -2.259 1.00 0.00 O ATOM 973 CB VAL A 63 -1.946 -16.521 -4.297 1.00 0.00 C ATOM 974 CG1 VAL A 63 -0.508 -16.497 -4.818 1.00 0.00 C ATOM 975 CG2 VAL A 63 -2.787 -17.419 -5.196 1.00 0.00 C ATOM 0 H VAL A 63 -2.756 -18.794 -3.756 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.944 -16.969 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.356 -15.511 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.495 -16.099 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.102 -15.865 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.105 -17.510 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.782 -17.024 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.370 -18.426 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.811 -17.450 -4.824 1.00 0.00 H new ATOM 985 N LEU A 64 -2.425 -15.723 -0.927 1.00 0.00 N ATOM 986 CA LEU A 64 -3.293 -15.018 0.002 1.00 0.00 C ATOM 987 C LEU A 64 -3.755 -13.702 -0.597 1.00 0.00 C ATOM 988 O LEU A 64 -4.679 -13.072 -0.083 1.00 0.00 O ATOM 989 CB LEU A 64 -2.560 -14.758 1.322 1.00 0.00 C ATOM 990 CG LEU A 64 -3.410 -15.224 2.510 1.00 0.00 C ATOM 991 CD1 LEU A 64 -3.025 -16.657 2.881 1.00 0.00 C ATOM 992 CD2 LEU A 64 -3.150 -14.307 3.707 1.00 0.00 C ATOM 0 H LEU A 64 -1.434 -15.714 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.165 -15.642 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.604 -15.282 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.340 -13.695 1.419 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.465 -15.188 2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.629 -16.989 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.201 -17.313 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.970 -16.691 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.753 -14.635 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.094 -14.349 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.418 -13.283 3.446 1.00 0.00 H new ATOM 1004 N ALA A 65 -3.132 -13.293 -1.695 1.00 0.00 N ATOM 1005 CA ALA A 65 -3.542 -12.053 -2.336 1.00 0.00 C ATOM 1006 C ALA A 65 -3.313 -12.113 -3.836 1.00 0.00 C ATOM 1007 O ALA A 65 -2.236 -12.484 -4.296 1.00 0.00 O ATOM 1008 CB ALA A 65 -2.769 -10.872 -1.745 1.00 0.00 C ATOM 0 H ALA A 65 -2.363 -13.786 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.608 -11.917 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.085 -9.950 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.970 -10.804 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.701 -11.020 -1.905 1.00 0.00 H new ATOM 1014 N ILE A 66 -4.326 -11.707 -4.589 1.00 0.00 N ATOM 1015 CA ILE A 66 -4.229 -11.679 -6.037 1.00 0.00 C ATOM 1016 C ILE A 66 -4.519 -10.259 -6.509 1.00 0.00 C ATOM 1017 O ILE A 66 -5.669 -9.822 -6.488 1.00 0.00 O ATOM 1018 CB ILE A 66 -5.242 -12.641 -6.656 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -5.544 -13.778 -5.676 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -4.667 -13.227 -7.947 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -4.316 -14.677 -5.519 1.00 0.00 C ATOM 0 H ILE A 66 -5.223 -11.393 -4.219 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.229 -11.986 -6.344 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.162 -12.099 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.830 -13.367 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.390 -14.364 -6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.390 -13.913 -8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.456 -12.421 -8.650 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.746 -13.765 -7.724 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.542 -15.482 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.049 -15.101 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.481 -14.089 -5.138 1.00 0.00 H new ATOM 1033 N LEU A 67 -3.484 -9.526 -6.909 1.00 0.00 N ATOM 1034 CA LEU A 67 -3.697 -8.149 -7.341 1.00 0.00 C ATOM 1035 C LEU A 67 -2.978 -7.820 -8.649 1.00 0.00 C ATOM 1036 O LEU A 67 -2.062 -8.531 -9.079 1.00 0.00 O ATOM 1037 CB LEU A 67 -3.251 -7.178 -6.247 1.00 0.00 C ATOM 1038 CG LEU A 67 -2.292 -7.875 -5.287 1.00 0.00 C ATOM 1039 CD1 LEU A 67 -1.005 -8.191 -6.034 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.985 -6.948 -4.107 1.00 0.00 C ATOM 0 H LEU A 67 -2.517 -9.850 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.766 -8.039 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.764 -6.312 -6.695 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.119 -6.809 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.741 -8.794 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.307 -8.690 -5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.225 -8.844 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.559 -7.265 -6.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.300 -7.446 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.526 -6.030 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.910 -6.707 -3.584 1.00 0.00 H new ATOM 1052 N GLY A 68 -3.409 -6.719 -9.265 1.00 0.00 N ATOM 1053 CA GLY A 68 -2.825 -6.262 -10.520 1.00 0.00 C ATOM 1054 C GLY A 68 -2.409 -4.794 -10.429 1.00 0.00 C ATOM 1055 O GLY A 68 -2.091 -4.292 -9.352 1.00 0.00 O ATOM 0 H GLY A 68 -4.162 -6.128 -8.912 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.958 -6.875 -10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.545 -6.390 -11.328 1.00 0.00 H new ATOM 1059 N LYS A 69 -2.399 -4.122 -11.574 1.00 0.00 N ATOM 1060 CA LYS A 69 -2.007 -2.723 -11.653 1.00 0.00 C ATOM 1061 C LYS A 69 -2.835 -1.826 -10.727 1.00 0.00 C ATOM 1062 O LYS A 69 -4.058 -1.945 -10.653 1.00 0.00 O ATOM 1063 CB LYS A 69 -2.175 -2.251 -13.091 1.00 0.00 C ATOM 1064 CG LYS A 69 -1.562 -3.280 -14.043 1.00 0.00 C ATOM 1065 CD LYS A 69 -2.656 -4.214 -14.567 1.00 0.00 C ATOM 1066 CE LYS A 69 -3.149 -3.710 -15.924 1.00 0.00 C ATOM 1067 NZ LYS A 69 -3.937 -2.459 -15.734 1.00 0.00 N ATOM 0 H LYS A 69 -2.662 -4.531 -12.470 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.968 -2.648 -11.331 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -3.232 -2.114 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.692 -1.283 -13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.073 -2.774 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.795 -3.857 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.268 -5.228 -14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.484 -4.255 -13.859 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.302 -3.522 -16.584 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.764 -4.471 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.439 -2.228 -16.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.627 -2.596 -14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.295 -1.679 -15.486 1.00 0.00 H new ATOM 1081 N GLY A 70 -2.146 -0.907 -10.047 1.00 0.00 N ATOM 1082 CA GLY A 70 -2.796 0.048 -9.149 1.00 0.00 C ATOM 1083 C GLY A 70 -2.997 -0.520 -7.748 1.00 0.00 C ATOM 1084 O GLY A 70 -3.183 0.226 -6.788 1.00 0.00 O ATOM 0 H GLY A 70 -1.133 -0.805 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -2.194 0.954 -9.088 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.762 0.335 -9.565 1.00 0.00 H new ATOM 1088 N ASP A 71 -2.974 -1.837 -7.630 1.00 0.00 N ATOM 1089 CA ASP A 71 -3.170 -2.472 -6.333 1.00 0.00 C ATOM 1090 C ASP A 71 -2.288 -1.821 -5.273 1.00 0.00 C ATOM 1091 O ASP A 71 -1.471 -0.953 -5.578 1.00 0.00 O ATOM 1092 CB ASP A 71 -2.838 -3.955 -6.428 1.00 0.00 C ATOM 1093 CG ASP A 71 -1.343 -4.169 -6.211 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -0.883 -3.920 -5.109 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -0.680 -4.578 -7.150 1.00 0.00 O ATOM 0 H ASP A 71 -2.824 -2.483 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.214 -2.347 -6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.406 -4.512 -5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.131 -4.340 -7.405 1.00 0.00 H new ATOM 1100 N LEU A 72 -2.459 -2.252 -4.027 1.00 0.00 N ATOM 1101 CA LEU A 72 -1.670 -1.712 -2.927 1.00 0.00 C ATOM 1102 C LEU A 72 -1.306 -2.817 -1.944 1.00 0.00 C ATOM 1103 O LEU A 72 -2.124 -3.689 -1.640 1.00 0.00 O ATOM 1104 CB LEU A 72 -2.449 -0.615 -2.199 1.00 0.00 C ATOM 1105 CG LEU A 72 -1.566 -0.003 -1.110 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -0.675 1.077 -1.721 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -2.452 0.617 -0.027 1.00 0.00 C ATOM 0 H LEU A 72 -3.132 -2.969 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.756 -1.285 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.761 0.155 -2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.356 -1.029 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.941 -0.780 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.046 1.512 -0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.045 0.635 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.297 1.855 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.825 1.054 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.077 1.394 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.087 -0.154 0.410 1.00 0.00 H new ATOM 1119 N ILE A 73 -0.071 -2.774 -1.457 1.00 0.00 N ATOM 1120 CA ILE A 73 0.409 -3.774 -0.515 1.00 0.00 C ATOM 1121 C ILE A 73 0.753 -3.136 0.830 1.00 0.00 C ATOM 1122 O ILE A 73 1.548 -2.195 0.900 1.00 0.00 O ATOM 1123 CB ILE A 73 1.638 -4.461 -1.100 1.00 0.00 C ATOM 1124 CG1 ILE A 73 2.347 -5.300 -0.034 1.00 0.00 C ATOM 1125 CG2 ILE A 73 2.552 -3.406 -1.617 1.00 0.00 C ATOM 1126 CD1 ILE A 73 1.404 -6.396 0.463 1.00 0.00 C ATOM 0 H ILE A 73 0.614 -2.058 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.378 -4.508 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 73 1.340 -5.133 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.252 -5.744 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.655 -4.666 0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.441 -3.871 -2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.042 -2.828 -2.387 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.843 -2.745 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.909 -6.994 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.512 -5.941 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.118 -7.036 -0.372 1.00 0.00 H new ATOM 1138 N GLY A 74 0.147 -3.654 1.895 1.00 0.00 N ATOM 1139 CA GLY A 74 0.394 -3.131 3.234 1.00 0.00 C ATOM 1140 C GLY A 74 -0.890 -3.116 4.060 1.00 0.00 C ATOM 1141 O GLY A 74 -1.990 -3.028 3.514 1.00 0.00 O ATOM 0 H GLY A 74 -0.514 -4.430 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.145 -3.742 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.798 -2.121 3.165 1.00 0.00 H new ATOM 1145 N SER A 75 -0.743 -3.200 5.381 1.00 0.00 N ATOM 1146 CA SER A 75 -1.900 -3.194 6.271 1.00 0.00 C ATOM 1147 C SER A 75 -2.418 -1.770 6.462 1.00 0.00 C ATOM 1148 O SER A 75 -1.639 -0.818 6.512 1.00 0.00 O ATOM 1149 CB SER A 75 -1.523 -3.787 7.630 1.00 0.00 C ATOM 1150 OG SER A 75 -0.109 -3.757 7.778 1.00 0.00 O ATOM 0 H SER A 75 0.158 -3.272 5.854 1.00 0.00 H new ATOM 0 HA SER A 75 -2.685 -3.800 5.818 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.996 -3.220 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.887 -4.812 7.707 1.00 0.00 H new ATOM 0 HG SER A 75 0.275 -4.582 7.416 1.00 0.00 H new ATOM 1156 N ASP A 76 -3.736 -1.632 6.566 1.00 0.00 N ATOM 1157 CA ASP A 76 -4.348 -0.320 6.751 1.00 0.00 C ATOM 1158 C ASP A 76 -4.244 0.122 8.208 1.00 0.00 C ATOM 1159 O ASP A 76 -3.546 -0.503 9.008 1.00 0.00 O ATOM 1160 CB ASP A 76 -5.819 -0.363 6.332 1.00 0.00 C ATOM 1161 CG ASP A 76 -6.277 1.022 5.891 1.00 0.00 C ATOM 1162 OD1 ASP A 76 -5.568 1.975 6.166 1.00 0.00 O ATOM 1163 OD2 ASP A 76 -7.332 1.109 5.284 1.00 0.00 O ATOM 0 H ASP A 76 -4.398 -2.407 6.526 1.00 0.00 H new ATOM 0 HA ASP A 76 -3.815 0.397 6.127 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.953 -1.075 5.518 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.432 -0.710 7.164 1.00 0.00 H new ATOM 1168 N SER A 77 -4.937 1.205 8.544 1.00 0.00 N ATOM 1169 CA SER A 77 -4.912 1.726 9.905 1.00 0.00 C ATOM 1170 C SER A 77 -3.531 2.282 10.231 1.00 0.00 C ATOM 1171 O SER A 77 -3.008 2.078 11.327 1.00 0.00 O ATOM 1172 CB SER A 77 -5.269 0.619 10.897 1.00 0.00 C ATOM 1173 OG SER A 77 -4.105 -0.144 11.188 1.00 0.00 O ATOM 0 H SER A 77 -5.519 1.736 7.897 1.00 0.00 H new ATOM 0 HA SER A 77 -5.646 2.528 9.984 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.673 1.051 11.812 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.044 -0.024 10.479 1.00 0.00 H new ATOM 0 HG SER A 77 -3.769 -0.554 10.364 1.00 0.00 H new ATOM 1179 N LEU A 78 -2.944 2.981 9.266 1.00 0.00 N ATOM 1180 CA LEU A 78 -1.620 3.561 9.448 1.00 0.00 C ATOM 1181 C LEU A 78 -1.560 4.389 10.728 1.00 0.00 C ATOM 1182 O LEU A 78 -0.482 4.787 11.169 1.00 0.00 O ATOM 1183 CB LEU A 78 -1.270 4.442 8.247 1.00 0.00 C ATOM 1184 CG LEU A 78 -0.557 3.599 7.191 1.00 0.00 C ATOM 1185 CD1 LEU A 78 -1.485 2.481 6.714 1.00 0.00 C ATOM 1186 CD2 LEU A 78 -0.172 4.486 6.006 1.00 0.00 C ATOM 0 H LEU A 78 -3.363 3.159 8.353 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.898 2.749 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.175 4.881 7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.632 5.268 8.561 1.00 0.00 H new ATOM 0 HG LEU A 78 0.342 3.161 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.974 1.881 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.757 1.848 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.386 2.916 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.337 3.885 5.252 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.071 4.926 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.493 5.280 6.347 1.00 0.00 H new ATOM 1198 N THR A 79 -2.722 4.644 11.318 1.00 0.00 N ATOM 1199 CA THR A 79 -2.788 5.424 12.549 1.00 0.00 C ATOM 1200 C THR A 79 -2.363 4.575 13.742 1.00 0.00 C ATOM 1201 O THR A 79 -2.290 5.063 14.869 1.00 0.00 O ATOM 1202 CB THR A 79 -4.213 5.937 12.765 1.00 0.00 C ATOM 1203 OG1 THR A 79 -4.856 6.085 11.506 1.00 0.00 O ATOM 1204 CG2 THR A 79 -4.171 7.288 13.481 1.00 0.00 C ATOM 0 H THR A 79 -3.625 4.325 10.968 1.00 0.00 H new ATOM 0 HA THR A 79 -2.108 6.271 12.460 1.00 0.00 H new ATOM 0 HB THR A 79 -4.767 5.224 13.376 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.770 6.412 11.642 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.187 7.651 13.633 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.678 7.173 14.446 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.617 8.004 12.874 1.00 0.00 H new ATOM 1212 N LYS A 80 -2.088 3.300 13.486 1.00 0.00 N ATOM 1213 CA LYS A 80 -1.675 2.389 14.548 1.00 0.00 C ATOM 1214 C LYS A 80 -0.187 2.547 14.847 1.00 0.00 C ATOM 1215 O LYS A 80 0.324 1.977 15.812 1.00 0.00 O ATOM 1216 CB LYS A 80 -1.965 0.944 14.137 1.00 0.00 C ATOM 1217 CG LYS A 80 -2.011 0.058 15.384 1.00 0.00 C ATOM 1218 CD LYS A 80 -1.220 -1.226 15.130 1.00 0.00 C ATOM 1219 CE LYS A 80 -1.882 -2.021 14.002 1.00 0.00 C ATOM 1220 NZ LYS A 80 -1.267 -3.376 13.924 1.00 0.00 N ATOM 0 H LYS A 80 -2.143 2.876 12.560 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.240 2.632 15.448 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.914 0.890 13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.195 0.588 13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.593 0.592 16.237 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.044 -0.183 15.634 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.191 -0.985 14.863 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.181 -1.827 16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.954 -2.106 14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.759 -1.499 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.716 -3.917 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.249 -3.285 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.406 -3.873 14.827 1.00 0.00 H new ATOM 1234 N GLU A 81 0.500 3.325 14.012 1.00 0.00 N ATOM 1235 CA GLU A 81 1.933 3.560 14.184 1.00 0.00 C ATOM 1236 C GLU A 81 2.573 2.467 15.035 1.00 0.00 C ATOM 1237 O GLU A 81 2.620 2.567 16.261 1.00 0.00 O ATOM 1238 CB GLU A 81 2.166 4.920 14.844 1.00 0.00 C ATOM 1239 CG GLU A 81 2.261 5.999 13.764 1.00 0.00 C ATOM 1240 CD GLU A 81 1.560 7.270 14.233 1.00 0.00 C ATOM 1241 OE1 GLU A 81 2.186 8.041 14.941 1.00 0.00 O ATOM 1242 OE2 GLU A 81 0.409 7.452 13.877 1.00 0.00 O ATOM 0 H GLU A 81 0.088 3.803 13.210 1.00 0.00 H new ATOM 0 HA GLU A 81 2.395 3.546 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.351 5.148 15.531 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.083 4.898 15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.307 6.212 13.542 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.805 5.642 12.841 1.00 0.00 H new ATOM 1249 N GLN A 82 3.068 1.426 14.373 1.00 0.00 N ATOM 1250 CA GLN A 82 3.709 0.319 15.073 1.00 0.00 C ATOM 1251 C GLN A 82 4.436 -0.588 14.085 1.00 0.00 C ATOM 1252 O GLN A 82 4.313 -0.427 12.872 1.00 0.00 O ATOM 1253 CB GLN A 82 2.665 -0.493 15.843 1.00 0.00 C ATOM 1254 CG GLN A 82 3.082 -0.634 17.304 1.00 0.00 C ATOM 1255 CD GLN A 82 3.336 0.736 17.925 1.00 0.00 C ATOM 1256 OE1 GLN A 82 4.470 1.215 17.932 1.00 0.00 O ATOM 1257 NE2 GLN A 82 2.342 1.398 18.452 1.00 0.00 N ATOM 0 H GLN A 82 3.038 1.326 13.358 1.00 0.00 H new ATOM 0 HA GLN A 82 4.434 0.730 15.775 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.693 -0.003 15.780 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.555 -1.479 15.392 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.303 -1.153 17.862 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.983 -1.243 17.373 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.403 0.999 18.445 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.504 2.314 18.871 1.00 0.00 H new ATOM 1266 N VAL A 83 5.197 -1.537 14.618 1.00 0.00 N ATOM 1267 CA VAL A 83 5.946 -2.464 13.777 1.00 0.00 C ATOM 1268 C VAL A 83 5.027 -3.541 13.205 1.00 0.00 C ATOM 1269 O VAL A 83 4.399 -4.293 13.948 1.00 0.00 O ATOM 1270 CB VAL A 83 7.061 -3.120 14.590 1.00 0.00 C ATOM 1271 CG1 VAL A 83 6.467 -3.665 15.882 1.00 0.00 C ATOM 1272 CG2 VAL A 83 7.680 -4.265 13.785 1.00 0.00 C ATOM 0 H VAL A 83 5.312 -1.685 15.621 1.00 0.00 H new ATOM 0 HA VAL A 83 6.380 -1.902 12.950 1.00 0.00 H new ATOM 0 HB VAL A 83 7.835 -2.387 14.817 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.252 -4.137 16.473 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.025 -2.848 16.452 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.698 -4.401 15.647 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.475 -4.731 14.367 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.914 -5.006 13.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.093 -3.874 12.855 1.00 0.00 H new ATOM 1282 N ILE A 84 4.958 -3.606 11.879 1.00 0.00 N ATOM 1283 CA ILE A 84 4.116 -4.595 11.214 1.00 0.00 C ATOM 1284 C ILE A 84 4.960 -5.523 10.371 1.00 0.00 C ATOM 1285 O ILE A 84 5.641 -5.097 9.439 1.00 0.00 O ATOM 1286 CB ILE A 84 3.073 -3.900 10.338 1.00 0.00 C ATOM 1287 CG1 ILE A 84 2.915 -2.446 10.791 1.00 0.00 C ATOM 1288 CG2 ILE A 84 1.731 -4.621 10.469 1.00 0.00 C ATOM 1289 CD1 ILE A 84 1.920 -1.729 9.876 1.00 0.00 C ATOM 0 H ILE A 84 5.471 -2.991 11.247 1.00 0.00 H new ATOM 0 HA ILE A 84 3.603 -5.181 11.977 1.00 0.00 H new ATOM 0 HB ILE A 84 3.399 -3.926 9.298 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.565 -2.412 11.823 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.880 -1.939 10.764 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.989 -4.124 9.844 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.842 -5.657 10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.405 -4.597 11.509 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.809 -0.694 10.200 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.288 -1.751 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.954 -2.231 9.925 1.00 0.00 H new ATOM 1301 N LYS A 85 4.908 -6.801 10.709 1.00 0.00 N ATOM 1302 CA LYS A 85 5.668 -7.792 9.983 1.00 0.00 C ATOM 1303 C LYS A 85 4.788 -8.471 8.947 1.00 0.00 C ATOM 1304 O LYS A 85 3.580 -8.247 8.890 1.00 0.00 O ATOM 1305 CB LYS A 85 6.242 -8.835 10.943 1.00 0.00 C ATOM 1306 CG LYS A 85 6.292 -8.260 12.358 1.00 0.00 C ATOM 1307 CD LYS A 85 7.450 -8.894 13.131 1.00 0.00 C ATOM 1308 CE LYS A 85 8.633 -7.931 13.164 1.00 0.00 C ATOM 1309 NZ LYS A 85 8.664 -7.133 11.906 1.00 0.00 N ATOM 0 H LYS A 85 4.349 -7.170 11.478 1.00 0.00 H new ATOM 0 HA LYS A 85 6.493 -7.291 9.476 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.627 -9.735 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.242 -9.126 10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.418 -7.178 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.350 -8.452 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.135 -9.133 14.147 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.745 -9.832 12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.551 -7.268 14.025 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.564 -8.487 13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.607 -6.711 11.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.456 -7.752 11.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.951 -6.378 11.956 1.00 0.00 H new ATOM 1323 N THR A 86 5.415 -9.293 8.131 1.00 0.00 N ATOM 1324 CA THR A 86 4.705 -10.014 7.081 1.00 0.00 C ATOM 1325 C THR A 86 4.640 -11.503 7.403 1.00 0.00 C ATOM 1326 O THR A 86 5.670 -12.165 7.541 1.00 0.00 O ATOM 1327 CB THR A 86 5.410 -9.805 5.740 1.00 0.00 C ATOM 1328 OG1 THR A 86 5.421 -8.419 5.425 1.00 0.00 O ATOM 1329 CG2 THR A 86 4.671 -10.575 4.645 1.00 0.00 C ATOM 0 H THR A 86 6.416 -9.482 8.170 1.00 0.00 H new ATOM 0 HA THR A 86 3.688 -9.626 7.020 1.00 0.00 H new ATOM 0 HB THR A 86 6.434 -10.171 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.727 -8.296 4.502 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.175 -10.424 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.665 -11.637 4.888 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.645 -10.213 4.574 1.00 0.00 H new ATOM 1337 N ASN A 87 3.420 -12.019 7.523 1.00 0.00 N ATOM 1338 CA ASN A 87 3.220 -13.429 7.837 1.00 0.00 C ATOM 1339 C ASN A 87 3.231 -14.280 6.569 1.00 0.00 C ATOM 1340 O ASN A 87 3.660 -15.431 6.595 1.00 0.00 O ATOM 1341 CB ASN A 87 1.889 -13.618 8.565 1.00 0.00 C ATOM 1342 CG ASN A 87 1.715 -15.080 8.958 1.00 0.00 C ATOM 1343 OD1 ASN A 87 1.294 -15.897 8.139 1.00 0.00 O ATOM 1344 ND2 ASN A 87 2.016 -15.460 10.169 1.00 0.00 N ATOM 0 H ASN A 87 2.559 -11.484 7.408 1.00 0.00 H new ATOM 0 HA ASN A 87 4.039 -13.752 8.479 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.858 -12.988 9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.066 -13.305 7.923 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.903 -16.437 10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.365 -14.780 10.845 1.00 0.00 H new ATOM 1351 N ALA A 88 2.760 -13.710 5.464 1.00 0.00 N ATOM 1352 CA ALA A 88 2.726 -14.437 4.199 1.00 0.00 C ATOM 1353 C ALA A 88 3.974 -14.134 3.381 1.00 0.00 C ATOM 1354 O ALA A 88 4.895 -13.468 3.850 1.00 0.00 O ATOM 1355 CB ALA A 88 1.476 -14.057 3.390 1.00 0.00 C ATOM 0 H ALA A 88 2.400 -12.757 5.418 1.00 0.00 H new ATOM 0 HA ALA A 88 2.693 -15.504 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.469 -14.609 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.583 -14.304 3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.489 -12.987 3.182 1.00 0.00 H new ATOM 1361 N ASN A 89 3.992 -14.624 2.154 1.00 0.00 N ATOM 1362 CA ASN A 89 5.122 -14.393 1.270 1.00 0.00 C ATOM 1363 C ASN A 89 4.651 -13.590 0.065 1.00 0.00 C ATOM 1364 O ASN A 89 3.454 -13.435 -0.137 1.00 0.00 O ATOM 1365 CB ASN A 89 5.718 -15.727 0.812 1.00 0.00 C ATOM 1366 CG ASN A 89 6.034 -16.599 2.022 1.00 0.00 C ATOM 1367 OD1 ASN A 89 7.195 -16.927 2.267 1.00 0.00 O ATOM 1368 ND2 ASN A 89 5.062 -16.999 2.796 1.00 0.00 N ATOM 0 H ASN A 89 3.241 -15.182 1.748 1.00 0.00 H new ATOM 0 HA ASN A 89 5.893 -13.837 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.017 -16.242 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.625 -15.550 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.263 -17.585 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.101 -16.726 2.591 1.00 0.00 H new ATOM 1375 N VAL A 90 5.588 -13.049 -0.703 1.00 0.00 N ATOM 1376 CA VAL A 90 5.258 -12.239 -1.844 1.00 0.00 C ATOM 1377 C VAL A 90 6.085 -12.668 -3.035 1.00 0.00 C ATOM 1378 O VAL A 90 7.319 -12.642 -2.982 1.00 0.00 O ATOM 1379 CB VAL A 90 5.532 -10.781 -1.498 1.00 0.00 C ATOM 1380 CG1 VAL A 90 5.961 -10.030 -2.743 1.00 0.00 C ATOM 1381 CG2 VAL A 90 4.272 -10.139 -0.916 1.00 0.00 C ATOM 0 H VAL A 90 6.589 -13.165 -0.545 1.00 0.00 H new ATOM 0 HA VAL A 90 4.206 -12.360 -2.101 1.00 0.00 H new ATOM 0 HB VAL A 90 6.331 -10.735 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.156 -8.988 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.868 -10.481 -3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.168 -10.080 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.475 -9.097 -0.671 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.466 -10.189 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.975 -10.673 -0.013 1.00 0.00 H new ATOM 1391 N LYS A 91 5.395 -13.038 -4.106 1.00 0.00 N ATOM 1392 CA LYS A 91 6.057 -13.450 -5.328 1.00 0.00 C ATOM 1393 C LYS A 91 5.465 -12.701 -6.513 1.00 0.00 C ATOM 1394 O LYS A 91 4.281 -12.844 -6.821 1.00 0.00 O ATOM 1395 CB LYS A 91 5.881 -14.957 -5.533 1.00 0.00 C ATOM 1396 CG LYS A 91 6.758 -15.424 -6.696 1.00 0.00 C ATOM 1397 CD LYS A 91 6.154 -16.685 -7.319 1.00 0.00 C ATOM 1398 CE LYS A 91 7.250 -17.732 -7.528 1.00 0.00 C ATOM 1399 NZ LYS A 91 7.426 -18.524 -6.277 1.00 0.00 N ATOM 0 H LYS A 91 4.376 -13.060 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 91 7.120 -13.220 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.152 -15.492 -4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.835 -15.186 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.835 -14.637 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.769 -15.629 -6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.374 -17.085 -6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.683 -16.442 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.985 -18.392 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.187 -17.244 -7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.773 -19.475 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.114 -18.049 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.514 -18.601 -5.784 1.00 0.00 H new ATOM 1413 N ALA A 92 6.294 -11.912 -7.180 1.00 0.00 N ATOM 1414 CA ALA A 92 5.842 -11.160 -8.334 1.00 0.00 C ATOM 1415 C ALA A 92 5.571 -12.123 -9.475 1.00 0.00 C ATOM 1416 O ALA A 92 6.485 -12.811 -9.940 1.00 0.00 O ATOM 1417 CB ALA A 92 6.901 -10.137 -8.749 1.00 0.00 C ATOM 0 H ALA A 92 7.277 -11.778 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 92 4.927 -10.623 -8.082 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.548 -9.580 -9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.084 -9.448 -7.925 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.827 -10.654 -9.002 1.00 0.00 H new ATOM 1423 N LEU A 93 4.309 -12.170 -9.901 1.00 0.00 N ATOM 1424 CA LEU A 93 3.893 -13.061 -10.975 1.00 0.00 C ATOM 1425 C LEU A 93 4.418 -12.553 -12.309 1.00 0.00 C ATOM 1426 O LEU A 93 4.993 -13.306 -13.095 1.00 0.00 O ATOM 1427 CB LEU A 93 2.363 -13.125 -11.021 1.00 0.00 C ATOM 1428 CG LEU A 93 1.900 -14.582 -10.990 1.00 0.00 C ATOM 1429 CD1 LEU A 93 2.456 -15.275 -9.744 1.00 0.00 C ATOM 1430 CD2 LEU A 93 0.372 -14.617 -10.952 1.00 0.00 C ATOM 0 H LEU A 93 3.558 -11.598 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 93 4.298 -14.056 -10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.942 -12.583 -10.174 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.997 -12.638 -11.925 1.00 0.00 H new ATOM 0 HG LEU A 93 2.262 -15.100 -11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.124 -16.313 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.545 -15.243 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.096 -14.763 -8.852 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.032 -15.652 -10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.018 -14.100 -10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.025 -14.124 -11.839 1.00 0.00 H new ATOM 1442 N THR A 94 4.224 -11.264 -12.544 1.00 0.00 N ATOM 1443 CA THR A 94 4.686 -10.634 -13.770 1.00 0.00 C ATOM 1444 C THR A 94 5.461 -9.372 -13.429 1.00 0.00 C ATOM 1445 O THR A 94 5.155 -8.697 -12.444 1.00 0.00 O ATOM 1446 CB THR A 94 3.495 -10.286 -14.664 1.00 0.00 C ATOM 1447 OG1 THR A 94 2.525 -11.320 -14.581 1.00 0.00 O ATOM 1448 CG2 THR A 94 3.966 -10.140 -16.111 1.00 0.00 C ATOM 0 H THR A 94 3.748 -10.633 -11.899 1.00 0.00 H new ATOM 0 HA THR A 94 5.336 -11.326 -14.305 1.00 0.00 H new ATOM 0 HB THR A 94 3.054 -9.346 -14.332 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.681 -10.951 -14.246 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.116 -9.892 -16.747 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.710 -9.346 -16.173 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.408 -11.078 -16.446 1.00 0.00 H new ATOM 1456 N TYR A 95 6.464 -9.055 -14.240 1.00 0.00 N ATOM 1457 CA TYR A 95 7.272 -7.872 -13.987 1.00 0.00 C ATOM 1458 C TYR A 95 6.374 -6.687 -13.679 1.00 0.00 C ATOM 1459 O TYR A 95 5.497 -6.334 -14.467 1.00 0.00 O ATOM 1460 CB TYR A 95 8.138 -7.551 -15.203 1.00 0.00 C ATOM 1461 CG TYR A 95 7.696 -8.385 -16.381 1.00 0.00 C ATOM 1462 CD1 TYR A 95 6.446 -8.156 -16.972 1.00 0.00 C ATOM 1463 CD2 TYR A 95 8.534 -9.387 -16.885 1.00 0.00 C ATOM 1464 CE1 TYR A 95 6.038 -8.929 -18.066 1.00 0.00 C ATOM 1465 CE2 TYR A 95 8.126 -10.158 -17.978 1.00 0.00 C ATOM 1466 CZ TYR A 95 6.877 -9.930 -18.569 1.00 0.00 C ATOM 1467 OH TYR A 95 6.474 -10.690 -19.649 1.00 0.00 O ATOM 0 H TYR A 95 6.733 -9.592 -15.065 1.00 0.00 H new ATOM 0 HA TYR A 95 7.918 -8.070 -13.132 1.00 0.00 H new ATOM 0 HB2 TYR A 95 8.060 -6.491 -15.447 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.186 -7.750 -14.977 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.798 -7.384 -16.584 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.497 -9.565 -16.429 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.075 -8.753 -18.522 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.774 -10.929 -18.366 1.00 0.00 H new ATOM 0 HH TYR A 95 7.174 -11.339 -19.872 1.00 0.00 H new ATOM 1477 N CYS A 96 6.591 -6.081 -12.520 1.00 0.00 N ATOM 1478 CA CYS A 96 5.784 -4.945 -12.115 1.00 0.00 C ATOM 1479 C CYS A 96 6.625 -3.892 -11.411 1.00 0.00 C ATOM 1480 O CYS A 96 7.556 -4.212 -10.668 1.00 0.00 O ATOM 1481 CB CYS A 96 4.671 -5.407 -11.176 1.00 0.00 C ATOM 1482 SG CYS A 96 5.297 -5.457 -9.479 1.00 0.00 S ATOM 0 H CYS A 96 7.311 -6.355 -11.852 1.00 0.00 H new ATOM 0 HA CYS A 96 5.355 -4.503 -13.014 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.820 -4.729 -11.241 1.00 0.00 H new ATOM 0 HB3 CYS A 96 4.316 -6.394 -11.473 1.00 0.00 H new ATOM 0 HG CYS A 96 4.427 -6.045 -8.713 1.00 0.00 H new ATOM 1488 N ASP A 97 6.272 -2.636 -11.636 1.00 0.00 N ATOM 1489 CA ASP A 97 6.975 -1.528 -11.007 1.00 0.00 C ATOM 1490 C ASP A 97 6.216 -1.105 -9.759 1.00 0.00 C ATOM 1491 O ASP A 97 5.008 -0.877 -9.807 1.00 0.00 O ATOM 1492 CB ASP A 97 7.079 -0.349 -11.976 1.00 0.00 C ATOM 1493 CG ASP A 97 7.691 0.855 -11.267 1.00 0.00 C ATOM 1494 OD1 ASP A 97 8.648 0.661 -10.536 1.00 0.00 O ATOM 1495 OD2 ASP A 97 7.195 1.951 -11.466 1.00 0.00 O ATOM 0 H ASP A 97 5.505 -2.358 -12.248 1.00 0.00 H new ATOM 0 HA ASP A 97 7.982 -1.845 -10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.691 -0.626 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.091 -0.093 -12.358 1.00 0.00 H new ATOM 1500 N LEU A 98 6.917 -1.022 -8.637 1.00 0.00 N ATOM 1501 CA LEU A 98 6.264 -0.650 -7.392 1.00 0.00 C ATOM 1502 C LEU A 98 6.975 0.508 -6.708 1.00 0.00 C ATOM 1503 O LEU A 98 8.202 0.540 -6.621 1.00 0.00 O ATOM 1504 CB LEU A 98 6.231 -1.850 -6.443 1.00 0.00 C ATOM 1505 CG LEU A 98 6.036 -3.140 -7.250 1.00 0.00 C ATOM 1506 CD1 LEU A 98 7.387 -3.639 -7.775 1.00 0.00 C ATOM 1507 CD2 LEU A 98 5.417 -4.215 -6.353 1.00 0.00 C ATOM 0 H LEU A 98 7.918 -1.203 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 98 5.249 -0.334 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.159 -1.902 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.421 -1.734 -5.722 1.00 0.00 H new ATOM 0 HG LEU A 98 5.375 -2.935 -8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.239 -4.555 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.831 -2.878 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.052 -3.839 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.278 -5.132 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.079 -4.411 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.452 -3.869 -5.983 1.00 0.00 H new ATOM 1519 N GLN A 99 6.190 1.443 -6.196 1.00 0.00 N ATOM 1520 CA GLN A 99 6.744 2.583 -5.487 1.00 0.00 C ATOM 1521 C GLN A 99 6.383 2.467 -4.015 1.00 0.00 C ATOM 1522 O GLN A 99 5.233 2.194 -3.673 1.00 0.00 O ATOM 1523 CB GLN A 99 6.187 3.886 -6.063 1.00 0.00 C ATOM 1524 CG GLN A 99 5.127 3.569 -7.120 1.00 0.00 C ATOM 1525 CD GLN A 99 4.364 4.836 -7.487 1.00 0.00 C ATOM 1526 OE1 GLN A 99 3.465 5.254 -6.758 1.00 0.00 O ATOM 1527 NE2 GLN A 99 4.671 5.478 -8.582 1.00 0.00 N ATOM 0 H GLN A 99 5.172 1.434 -6.258 1.00 0.00 H new ATOM 0 HA GLN A 99 7.828 2.593 -5.601 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.752 4.490 -5.267 1.00 0.00 H new ATOM 0 HB3 GLN A 99 6.992 4.473 -6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 99 5.600 3.149 -8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.437 2.816 -6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 99 5.416 5.130 -9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.165 6.327 -8.834 1.00 0.00 H new ATOM 1536 N TYR A 100 7.358 2.666 -3.143 1.00 0.00 N ATOM 1537 CA TYR A 100 7.104 2.565 -1.714 1.00 0.00 C ATOM 1538 C TYR A 100 7.932 3.562 -0.930 1.00 0.00 C ATOM 1539 O TYR A 100 8.861 4.180 -1.451 1.00 0.00 O ATOM 1540 CB TYR A 100 7.387 1.143 -1.195 1.00 0.00 C ATOM 1541 CG TYR A 100 8.878 0.857 -1.129 1.00 0.00 C ATOM 1542 CD1 TYR A 100 9.797 1.578 -1.906 1.00 0.00 C ATOM 1543 CD2 TYR A 100 9.336 -0.160 -0.285 1.00 0.00 C ATOM 1544 CE1 TYR A 100 11.164 1.279 -1.831 1.00 0.00 C ATOM 1545 CE2 TYR A 100 10.701 -0.458 -0.216 1.00 0.00 C ATOM 1546 CZ TYR A 100 11.614 0.262 -0.988 1.00 0.00 C ATOM 1547 OH TYR A 100 12.960 -0.033 -0.918 1.00 0.00 O ATOM 0 H TYR A 100 8.320 2.895 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 100 6.049 2.793 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.949 1.023 -0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 100 6.905 0.415 -1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 100 9.451 2.363 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.633 -0.718 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.871 1.837 -2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 100 11.049 -1.246 0.435 1.00 0.00 H new ATOM 0 HH TYR A 100 13.102 -0.766 -0.283 1.00 0.00 H new ATOM 1557 N ILE A 101 7.569 3.717 0.331 1.00 0.00 N ATOM 1558 CA ILE A 101 8.267 4.639 1.207 1.00 0.00 C ATOM 1559 C ILE A 101 8.113 4.191 2.655 1.00 0.00 C ATOM 1560 O ILE A 101 7.160 3.486 2.997 1.00 0.00 O ATOM 1561 CB ILE A 101 7.724 6.058 0.986 1.00 0.00 C ATOM 1562 CG1 ILE A 101 7.296 6.712 2.301 1.00 0.00 C ATOM 1563 CG2 ILE A 101 6.501 5.964 0.093 1.00 0.00 C ATOM 1564 CD1 ILE A 101 5.953 6.114 2.728 1.00 0.00 C ATOM 0 H ILE A 101 6.796 3.217 0.770 1.00 0.00 H new ATOM 0 HA ILE A 101 9.332 4.645 0.976 1.00 0.00 H new ATOM 0 HB ILE A 101 8.514 6.661 0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.048 6.541 3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.207 7.791 2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.098 6.962 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.781 5.517 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.745 5.345 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.633 6.570 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.207 6.307 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.061 5.038 2.866 1.00 0.00 H new ATOM 1576 N SER A 102 9.042 4.601 3.504 1.00 0.00 N ATOM 1577 CA SER A 102 8.970 4.233 4.907 1.00 0.00 C ATOM 1578 C SER A 102 7.968 5.133 5.619 1.00 0.00 C ATOM 1579 O SER A 102 8.073 6.358 5.564 1.00 0.00 O ATOM 1580 CB SER A 102 10.345 4.369 5.559 1.00 0.00 C ATOM 1581 OG SER A 102 10.763 5.726 5.497 1.00 0.00 O ATOM 0 H SER A 102 9.843 5.180 3.251 1.00 0.00 H new ATOM 0 HA SER A 102 8.646 3.195 4.987 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.303 4.037 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.067 3.731 5.049 1.00 0.00 H new ATOM 0 HG SER A 102 11.644 5.816 5.916 1.00 0.00 H new ATOM 1587 N LEU A 103 6.994 4.520 6.278 1.00 0.00 N ATOM 1588 CA LEU A 103 5.973 5.283 6.987 1.00 0.00 C ATOM 1589 C LEU A 103 6.620 6.335 7.879 1.00 0.00 C ATOM 1590 O LEU A 103 6.022 7.372 8.166 1.00 0.00 O ATOM 1591 CB LEU A 103 5.117 4.349 7.836 1.00 0.00 C ATOM 1592 CG LEU A 103 3.688 4.891 7.897 1.00 0.00 C ATOM 1593 CD1 LEU A 103 2.764 3.802 8.419 1.00 0.00 C ATOM 1594 CD2 LEU A 103 3.633 6.101 8.834 1.00 0.00 C ATOM 0 H LEU A 103 6.888 3.507 6.337 1.00 0.00 H new ATOM 0 HA LEU A 103 5.342 5.782 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.120 3.346 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.532 4.270 8.841 1.00 0.00 H new ATOM 0 HG LEU A 103 3.371 5.196 6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.743 4.182 8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.801 2.942 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.084 3.500 9.416 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.613 6.484 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.948 5.802 9.834 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.298 6.880 8.462 1.00 0.00 H new ATOM 1606 N LYS A 104 7.850 6.070 8.303 1.00 0.00 N ATOM 1607 CA LYS A 104 8.572 7.014 9.146 1.00 0.00 C ATOM 1608 C LYS A 104 8.913 8.263 8.342 1.00 0.00 C ATOM 1609 O LYS A 104 8.714 9.389 8.799 1.00 0.00 O ATOM 1610 CB LYS A 104 9.858 6.370 9.668 1.00 0.00 C ATOM 1611 CG LYS A 104 9.561 5.610 10.963 1.00 0.00 C ATOM 1612 CD LYS A 104 8.456 4.583 10.709 1.00 0.00 C ATOM 1613 CE LYS A 104 8.493 3.511 11.799 1.00 0.00 C ATOM 1614 NZ LYS A 104 9.778 2.760 11.715 1.00 0.00 N ATOM 0 H LYS A 104 8.364 5.218 8.079 1.00 0.00 H new ATOM 0 HA LYS A 104 7.943 7.290 9.992 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.266 5.690 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.613 7.135 9.848 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.462 5.110 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.253 6.306 11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.483 5.075 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.590 4.125 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.393 3.973 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.652 2.828 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.581 1.740 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.299 3.057 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.352 2.958 12.560 1.00 0.00 H new ATOM 1628 N GLY A 105 9.423 8.045 7.134 1.00 0.00 N ATOM 1629 CA GLY A 105 9.788 9.145 6.254 1.00 0.00 C ATOM 1630 C GLY A 105 8.560 9.930 5.828 1.00 0.00 C ATOM 1631 O GLY A 105 8.570 11.157 5.822 1.00 0.00 O ATOM 0 H GLY A 105 9.592 7.118 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.488 9.807 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.300 8.757 5.373 1.00 0.00 H new ATOM 1635 N LEU A 106 7.513 9.202 5.444 1.00 0.00 N ATOM 1636 CA LEU A 106 6.280 9.821 4.981 1.00 0.00 C ATOM 1637 C LEU A 106 5.584 10.629 6.068 1.00 0.00 C ATOM 1638 O LEU A 106 5.052 11.697 5.797 1.00 0.00 O ATOM 1639 CB LEU A 106 5.323 8.748 4.477 1.00 0.00 C ATOM 1640 CG LEU A 106 3.915 9.329 4.347 1.00 0.00 C ATOM 1641 CD1 LEU A 106 3.230 8.730 3.117 1.00 0.00 C ATOM 1642 CD2 LEU A 106 3.094 8.993 5.596 1.00 0.00 C ATOM 0 H LEU A 106 7.497 8.182 5.446 1.00 0.00 H new ATOM 0 HA LEU A 106 6.552 10.507 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.661 8.371 3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.315 7.903 5.165 1.00 0.00 H new ATOM 0 HG LEU A 106 3.983 10.412 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.226 9.143 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.807 8.972 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.168 7.647 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.092 9.410 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.027 7.911 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.578 9.419 6.475 1.00 0.00 H new ATOM 1654 N ARG A 107 5.543 10.105 7.283 1.00 0.00 N ATOM 1655 CA ARG A 107 4.856 10.803 8.364 1.00 0.00 C ATOM 1656 C ARG A 107 5.593 12.069 8.811 1.00 0.00 C ATOM 1657 O ARG A 107 4.966 13.032 9.247 1.00 0.00 O ATOM 1658 CB ARG A 107 4.634 9.876 9.558 1.00 0.00 C ATOM 1659 CG ARG A 107 4.084 10.680 10.738 1.00 0.00 C ATOM 1660 CD ARG A 107 2.782 11.361 10.323 1.00 0.00 C ATOM 1661 NE ARG A 107 1.753 11.148 11.334 1.00 0.00 N ATOM 1662 CZ ARG A 107 1.975 11.433 12.613 1.00 0.00 C ATOM 1663 NH1 ARG A 107 3.131 11.909 12.986 1.00 0.00 N ATOM 1664 NH2 ARG A 107 1.035 11.233 13.496 1.00 0.00 N ATOM 0 H ARG A 107 5.968 9.216 7.545 1.00 0.00 H new ATOM 0 HA ARG A 107 3.890 11.113 7.966 1.00 0.00 H new ATOM 0 HB2 ARG A 107 3.937 9.082 9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.572 9.396 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 107 3.908 10.023 11.590 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.813 11.426 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.950 12.429 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.447 10.965 9.364 1.00 0.00 H new ATOM 0 HE ARG A 107 0.846 10.773 11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.866 12.063 12.296 1.00 0.00 H new ATOM 0 HH12 ARG A 107 3.300 12.127 13.968 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.132 10.859 13.204 1.00 0.00 H new ATOM 0 HH22 ARG A 107 1.203 11.451 14.478 1.00 0.00 H new ATOM 1678 N GLU A 108 6.917 12.061 8.715 1.00 0.00 N ATOM 1679 CA GLU A 108 7.715 13.220 9.129 1.00 0.00 C ATOM 1680 C GLU A 108 7.444 14.388 8.194 1.00 0.00 C ATOM 1681 O GLU A 108 7.079 15.486 8.618 1.00 0.00 O ATOM 1682 CB GLU A 108 9.204 12.874 9.097 1.00 0.00 C ATOM 1683 CG GLU A 108 10.009 14.036 9.681 1.00 0.00 C ATOM 1684 CD GLU A 108 11.432 13.583 9.987 1.00 0.00 C ATOM 1685 OE1 GLU A 108 12.079 13.080 9.083 1.00 0.00 O ATOM 1686 OE2 GLU A 108 11.855 13.748 11.120 1.00 0.00 O ATOM 0 H GLU A 108 7.461 11.275 8.358 1.00 0.00 H new ATOM 0 HA GLU A 108 7.436 13.495 10.146 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.390 11.965 9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.521 12.676 8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.027 14.867 8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.531 14.400 10.591 1.00 0.00 H new ATOM 1693 N VAL A 109 7.588 14.113 6.914 1.00 0.00 N ATOM 1694 CA VAL A 109 7.327 15.103 5.887 1.00 0.00 C ATOM 1695 C VAL A 109 5.906 15.605 6.086 1.00 0.00 C ATOM 1696 O VAL A 109 5.620 16.812 6.084 1.00 0.00 O ATOM 1697 CB VAL A 109 7.492 14.418 4.527 1.00 0.00 C ATOM 1698 CG1 VAL A 109 8.984 14.218 4.255 1.00 0.00 C ATOM 1699 CG2 VAL A 109 6.807 13.064 4.556 1.00 0.00 C ATOM 0 H VAL A 109 7.887 13.205 6.557 1.00 0.00 H new ATOM 0 HA VAL A 109 8.012 15.949 5.939 1.00 0.00 H new ATOM 0 HB VAL A 109 7.046 15.034 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.116 13.731 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.485 15.186 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 109 9.416 13.594 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 109 6.924 12.576 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.258 12.445 5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 109 5.746 13.197 4.769 1.00 0.00 H new ATOM 1709 N LEU A 110 5.029 14.655 6.328 1.00 0.00 N ATOM 1710 CA LEU A 110 3.650 14.962 6.603 1.00 0.00 C ATOM 1711 C LEU A 110 3.580 15.832 7.851 1.00 0.00 C ATOM 1712 O LEU A 110 2.691 16.673 7.986 1.00 0.00 O ATOM 1713 CB LEU A 110 2.906 13.648 6.791 1.00 0.00 C ATOM 1714 CG LEU A 110 1.974 13.399 5.605 1.00 0.00 C ATOM 1715 CD1 LEU A 110 2.777 13.375 4.305 1.00 0.00 C ATOM 1716 CD2 LEU A 110 1.301 12.044 5.779 1.00 0.00 C ATOM 0 H LEU A 110 5.252 13.660 6.339 1.00 0.00 H new ATOM 0 HA LEU A 110 3.189 15.513 5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 110 3.618 12.828 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.331 13.676 7.716 1.00 0.00 H new ATOM 0 HG LEU A 110 1.231 14.195 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.105 13.197 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.280 14.333 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.519 12.578 4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.634 11.858 4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.060 11.263 5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.726 12.040 6.705 1.00 0.00 H new ATOM 1728 N ARG A 111 4.558 15.663 8.741 1.00 0.00 N ATOM 1729 CA ARG A 111 4.612 16.481 9.941 1.00 0.00 C ATOM 1730 C ARG A 111 4.614 17.935 9.508 1.00 0.00 C ATOM 1731 O ARG A 111 3.996 18.791 10.140 1.00 0.00 O ATOM 1732 CB ARG A 111 5.872 16.172 10.752 1.00 0.00 C ATOM 1733 CG ARG A 111 5.631 16.525 12.220 1.00 0.00 C ATOM 1734 CD ARG A 111 6.819 16.051 13.063 1.00 0.00 C ATOM 1735 NE ARG A 111 7.868 17.064 13.071 1.00 0.00 N ATOM 1736 CZ ARG A 111 9.053 16.820 13.618 1.00 0.00 C ATOM 1737 NH1 ARG A 111 9.296 15.658 14.162 1.00 0.00 N ATOM 1738 NH2 ARG A 111 9.976 17.742 13.610 1.00 0.00 N ATOM 0 H ARG A 111 5.309 14.978 8.652 1.00 0.00 H new ATOM 0 HA ARG A 111 3.751 16.270 10.576 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.129 15.117 10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.716 16.741 10.364 1.00 0.00 H new ATOM 0 HG2 ARG A 111 5.501 17.602 12.329 1.00 0.00 H new ATOM 0 HG3 ARG A 111 4.712 16.056 12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.492 15.848 14.083 1.00 0.00 H new ATOM 0 HD3 ARG A 111 7.209 15.116 12.661 1.00 0.00 H new ATOM 0 HE ARG A 111 7.688 17.975 12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.575 14.936 14.167 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.207 15.472 14.582 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.787 18.649 13.184 1.00 0.00 H new ATOM 0 HH22 ARG A 111 10.887 17.556 14.030 1.00 0.00 H new ATOM 1752 N LEU A 112 5.287 18.192 8.387 1.00 0.00 N ATOM 1753 CA LEU A 112 5.328 19.536 7.832 1.00 0.00 C ATOM 1754 C LEU A 112 3.904 19.937 7.484 1.00 0.00 C ATOM 1755 O LEU A 112 3.538 21.111 7.537 1.00 0.00 O ATOM 1756 CB LEU A 112 6.207 19.568 6.579 1.00 0.00 C ATOM 1757 CG LEU A 112 6.404 21.016 6.128 1.00 0.00 C ATOM 1758 CD1 LEU A 112 7.139 21.793 7.221 1.00 0.00 C ATOM 1759 CD2 LEU A 112 7.231 21.041 4.841 1.00 0.00 C ATOM 0 H LEU A 112 5.804 17.493 7.854 1.00 0.00 H new ATOM 0 HA LEU A 112 5.753 20.231 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.172 19.107 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.742 18.988 5.782 1.00 0.00 H new ATOM 0 HG LEU A 112 5.433 21.476 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 112 7.280 22.825 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.551 21.775 8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.110 21.334 7.403 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.372 22.073 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 112 8.203 20.582 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.709 20.486 4.062 1.00 0.00 H new ATOM 1771 N TYR A 113 3.101 18.925 7.156 1.00 0.00 N ATOM 1772 CA TYR A 113 1.688 19.133 6.831 1.00 0.00 C ATOM 1773 C TYR A 113 0.822 18.391 7.854 1.00 0.00 C ATOM 1774 O TYR A 113 0.399 17.263 7.616 1.00 0.00 O ATOM 1775 CB TYR A 113 1.386 18.608 5.426 1.00 0.00 C ATOM 1776 CG TYR A 113 1.348 19.761 4.451 1.00 0.00 C ATOM 1777 CD1 TYR A 113 2.329 20.759 4.508 1.00 0.00 C ATOM 1778 CD2 TYR A 113 0.332 19.833 3.490 1.00 0.00 C ATOM 1779 CE1 TYR A 113 2.295 21.826 3.604 1.00 0.00 C ATOM 1780 CE2 TYR A 113 0.297 20.902 2.587 1.00 0.00 C ATOM 1781 CZ TYR A 113 1.279 21.899 2.643 1.00 0.00 C ATOM 1782 OH TYR A 113 1.246 22.952 1.754 1.00 0.00 O ATOM 0 H TYR A 113 3.404 17.952 7.108 1.00 0.00 H new ATOM 0 HA TYR A 113 1.466 20.200 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 113 2.147 17.889 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 113 0.431 18.083 5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.112 20.705 5.250 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.425 19.064 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.053 22.594 3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -0.488 20.958 1.847 1.00 0.00 H new ATOM 0 HH TYR A 113 2.108 23.417 1.766 1.00 0.00 H new ATOM 1792 N PRO A 114 0.595 18.990 8.994 1.00 0.00 N ATOM 1793 CA PRO A 114 -0.189 18.371 10.116 1.00 0.00 C ATOM 1794 C PRO A 114 -1.643 18.017 9.783 1.00 0.00 C ATOM 1795 O PRO A 114 -2.130 16.967 10.201 1.00 0.00 O ATOM 1796 CB PRO A 114 -0.150 19.431 11.225 1.00 0.00 C ATOM 1797 CG PRO A 114 0.960 20.361 10.864 1.00 0.00 C ATOM 1798 CD PRO A 114 1.067 20.334 9.345 1.00 0.00 C ATOM 0 HA PRO A 114 0.253 17.411 10.382 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.099 19.963 11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 114 0.026 18.972 12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 114 0.753 21.370 11.221 1.00 0.00 H new ATOM 0 HG3 PRO A 114 1.896 20.046 11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 114 0.453 21.108 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 114 2.091 20.500 9.011 1.00 0.00 H new ATOM 1806 N GLU A 115 -2.350 18.887 9.070 1.00 0.00 N ATOM 1807 CA GLU A 115 -3.754 18.610 8.758 1.00 0.00 C ATOM 1808 C GLU A 115 -3.886 17.458 7.769 1.00 0.00 C ATOM 1809 O GLU A 115 -4.611 16.489 8.014 1.00 0.00 O ATOM 1810 CB GLU A 115 -4.418 19.860 8.175 1.00 0.00 C ATOM 1811 CG GLU A 115 -4.341 20.999 9.192 1.00 0.00 C ATOM 1812 CD GLU A 115 -4.151 22.329 8.472 1.00 0.00 C ATOM 1813 OE1 GLU A 115 -3.011 22.694 8.235 1.00 0.00 O ATOM 1814 OE2 GLU A 115 -5.147 22.963 8.169 1.00 0.00 O ATOM 0 H GLU A 115 -1.990 19.768 8.704 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.252 18.326 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -3.921 20.151 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.458 19.650 7.926 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -5.252 21.026 9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.514 20.827 9.881 1.00 0.00 H new ATOM 1821 N TYR A 116 -3.174 17.560 6.659 1.00 0.00 N ATOM 1822 CA TYR A 116 -3.213 16.520 5.644 1.00 0.00 C ATOM 1823 C TYR A 116 -2.567 15.247 6.170 1.00 0.00 C ATOM 1824 O TYR A 116 -2.956 14.139 5.805 1.00 0.00 O ATOM 1825 CB TYR A 116 -2.472 16.988 4.392 1.00 0.00 C ATOM 1826 CG TYR A 116 -3.455 17.597 3.422 1.00 0.00 C ATOM 1827 CD1 TYR A 116 -4.266 16.772 2.635 1.00 0.00 C ATOM 1828 CD2 TYR A 116 -3.555 18.989 3.308 1.00 0.00 C ATOM 1829 CE1 TYR A 116 -5.178 17.338 1.734 1.00 0.00 C ATOM 1830 CE2 TYR A 116 -4.466 19.555 2.408 1.00 0.00 C ATOM 1831 CZ TYR A 116 -5.277 18.730 1.621 1.00 0.00 C ATOM 1832 OH TYR A 116 -6.174 19.288 0.734 1.00 0.00 O ATOM 0 H TYR A 116 -2.565 18.348 6.438 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.254 16.314 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -1.709 17.719 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -1.958 16.148 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -4.189 15.698 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -2.929 19.626 3.915 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -5.804 16.701 1.127 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -4.543 20.629 2.321 1.00 0.00 H new ATOM 0 HH TYR A 116 -6.116 20.265 0.781 1.00 0.00 H new ATOM 1842 N ALA A 117 -1.557 15.424 7.010 1.00 0.00 N ATOM 1843 CA ALA A 117 -0.823 14.301 7.572 1.00 0.00 C ATOM 1844 C ALA A 117 -1.693 13.411 8.442 1.00 0.00 C ATOM 1845 O ALA A 117 -1.847 12.223 8.163 1.00 0.00 O ATOM 1846 CB ALA A 117 0.331 14.834 8.405 1.00 0.00 C ATOM 0 H ALA A 117 -1.227 16.339 7.318 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.463 13.694 6.741 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.888 14.000 8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.992 15.427 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.059 15.458 9.209 1.00 0.00 H new ATOM 1852 N GLN A 118 -2.258 13.977 9.492 1.00 0.00 N ATOM 1853 CA GLN A 118 -3.099 13.197 10.375 1.00 0.00 C ATOM 1854 C GLN A 118 -4.164 12.496 9.547 1.00 0.00 C ATOM 1855 O GLN A 118 -4.567 11.371 9.842 1.00 0.00 O ATOM 1856 CB GLN A 118 -3.756 14.114 11.405 1.00 0.00 C ATOM 1857 CG GLN A 118 -2.693 14.718 12.324 1.00 0.00 C ATOM 1858 CD GLN A 118 -1.794 13.621 12.887 1.00 0.00 C ATOM 1859 OE1 GLN A 118 -0.756 13.227 12.202 1.00 0.00 O flip ATOM 1860 NE2 GLN A 118 -2.043 13.113 13.980 1.00 0.00 N flip ATOM 0 H GLN A 118 -2.152 14.958 9.750 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.498 12.455 10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.304 14.908 10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.481 13.552 11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.093 15.441 11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.173 15.259 13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.855 13.423 14.513 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.437 12.382 14.353 1.00 0.00 H new ATOM 1869 N LYS A 119 -4.600 13.178 8.499 1.00 0.00 N ATOM 1870 CA LYS A 119 -5.607 12.640 7.599 1.00 0.00 C ATOM 1871 C LYS A 119 -5.031 11.545 6.692 1.00 0.00 C ATOM 1872 O LYS A 119 -5.772 10.703 6.188 1.00 0.00 O ATOM 1873 CB LYS A 119 -6.186 13.766 6.735 1.00 0.00 C ATOM 1874 CG LYS A 119 -7.694 13.877 6.973 1.00 0.00 C ATOM 1875 CD LYS A 119 -8.197 15.218 6.432 1.00 0.00 C ATOM 1876 CE LYS A 119 -9.621 15.469 6.933 1.00 0.00 C ATOM 1877 NZ LYS A 119 -10.472 14.285 6.625 1.00 0.00 N ATOM 0 H LYS A 119 -4.270 14.110 8.250 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.393 12.195 8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.699 14.711 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.988 13.567 5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.213 13.055 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.912 13.797 8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.538 16.023 6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.179 15.212 5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.613 15.655 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.033 16.360 6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.451 14.595 6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.111 13.810 5.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.449 13.623 7.427 1.00 0.00 H new ATOM 1891 N PHE A 120 -3.718 11.586 6.441 1.00 0.00 N ATOM 1892 CA PHE A 120 -3.098 10.616 5.541 1.00 0.00 C ATOM 1893 C PHE A 120 -3.398 9.174 5.935 1.00 0.00 C ATOM 1894 O PHE A 120 -3.672 8.340 5.071 1.00 0.00 O ATOM 1895 CB PHE A 120 -1.594 10.875 5.472 1.00 0.00 C ATOM 1896 CG PHE A 120 -0.785 9.700 5.979 1.00 0.00 C ATOM 1897 CD1 PHE A 120 -0.559 8.588 5.157 1.00 0.00 C ATOM 1898 CD2 PHE A 120 -0.217 9.748 7.259 1.00 0.00 C ATOM 1899 CE1 PHE A 120 0.229 7.529 5.614 1.00 0.00 C ATOM 1900 CE2 PHE A 120 0.565 8.684 7.718 1.00 0.00 C ATOM 1901 CZ PHE A 120 0.790 7.575 6.896 1.00 0.00 C ATOM 0 H PHE A 120 -3.076 12.269 6.842 1.00 0.00 H new ATOM 0 HA PHE A 120 -3.532 10.750 4.550 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -1.311 11.090 4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -1.353 11.760 6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.994 8.550 4.169 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -0.383 10.608 7.891 1.00 0.00 H new ATOM 0 HE1 PHE A 120 0.406 6.674 4.978 1.00 0.00 H new ATOM 0 HE2 PHE A 120 0.996 8.718 8.708 1.00 0.00 H new ATOM 0 HZ PHE A 120 1.396 6.754 7.250 1.00 0.00 H new ATOM 1911 N VAL A 121 -3.354 8.871 7.221 1.00 0.00 N ATOM 1912 CA VAL A 121 -3.634 7.511 7.658 1.00 0.00 C ATOM 1913 C VAL A 121 -5.091 7.157 7.374 1.00 0.00 C ATOM 1914 O VAL A 121 -5.422 6.006 7.090 1.00 0.00 O ATOM 1915 CB VAL A 121 -3.361 7.367 9.155 1.00 0.00 C ATOM 1916 CG1 VAL A 121 -1.868 7.546 9.411 1.00 0.00 C ATOM 1917 CG2 VAL A 121 -4.143 8.435 9.924 1.00 0.00 C ATOM 0 H VAL A 121 -3.133 9.530 7.967 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.982 6.832 7.108 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.675 6.379 9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.667 7.444 10.477 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.311 6.786 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.557 8.536 9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.947 8.331 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.830 9.425 9.592 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.210 8.310 9.737 1.00 0.00 H new ATOM 1927 N SER A 122 -5.953 8.162 7.463 1.00 0.00 N ATOM 1928 CA SER A 122 -7.381 7.972 7.229 1.00 0.00 C ATOM 1929 C SER A 122 -7.725 8.095 5.744 1.00 0.00 C ATOM 1930 O SER A 122 -8.717 7.532 5.283 1.00 0.00 O ATOM 1931 CB SER A 122 -8.179 9.008 8.021 1.00 0.00 C ATOM 1932 OG SER A 122 -9.541 8.609 8.078 1.00 0.00 O ATOM 0 H SER A 122 -5.689 9.119 7.696 1.00 0.00 H new ATOM 0 HA SER A 122 -7.643 6.967 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 122 -7.774 9.103 9.028 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.094 9.987 7.549 1.00 0.00 H new ATOM 0 HG SER A 122 -10.055 9.271 8.587 1.00 0.00 H new ATOM 1938 N GLU A 123 -6.920 8.853 5.006 1.00 0.00 N ATOM 1939 CA GLU A 123 -7.171 9.056 3.579 1.00 0.00 C ATOM 1940 C GLU A 123 -6.645 7.891 2.741 1.00 0.00 C ATOM 1941 O GLU A 123 -7.153 7.623 1.651 1.00 0.00 O ATOM 1942 CB GLU A 123 -6.499 10.349 3.116 1.00 0.00 C ATOM 1943 CG GLU A 123 -7.534 11.473 3.063 1.00 0.00 C ATOM 1944 CD GLU A 123 -8.374 11.469 4.336 1.00 0.00 C ATOM 1945 OE1 GLU A 123 -7.926 10.896 5.315 1.00 0.00 O ATOM 1946 OE2 GLU A 123 -9.452 12.039 4.313 1.00 0.00 O ATOM 0 H GLU A 123 -6.095 9.334 5.366 1.00 0.00 H new ATOM 0 HA GLU A 123 -8.250 9.118 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.692 10.616 3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -6.051 10.206 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -7.033 12.435 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -8.177 11.345 2.192 1.00 0.00 H new ATOM 1953 N ILE A 124 -5.619 7.212 3.243 1.00 0.00 N ATOM 1954 CA ILE A 124 -5.026 6.092 2.520 1.00 0.00 C ATOM 1955 C ILE A 124 -6.063 5.013 2.192 1.00 0.00 C ATOM 1956 O ILE A 124 -6.049 4.441 1.102 1.00 0.00 O ATOM 1957 CB ILE A 124 -3.901 5.482 3.363 1.00 0.00 C ATOM 1958 CG1 ILE A 124 -2.761 5.056 2.435 1.00 0.00 C ATOM 1959 CG2 ILE A 124 -4.426 4.267 4.140 1.00 0.00 C ATOM 1960 CD1 ILE A 124 -2.009 3.868 3.042 1.00 0.00 C ATOM 0 H ILE A 124 -5.183 7.416 4.142 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.630 6.471 1.578 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.537 6.220 4.077 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -3.159 4.784 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.076 5.890 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.619 3.840 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -5.238 4.579 4.798 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -4.794 3.518 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -1.199 3.571 2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.596 4.155 4.009 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.696 3.032 3.174 1.00 0.00 H new ATOM 1972 N GLN A 125 -6.938 4.721 3.149 1.00 0.00 N ATOM 1973 CA GLN A 125 -7.953 3.686 2.958 1.00 0.00 C ATOM 1974 C GLN A 125 -8.670 3.856 1.625 1.00 0.00 C ATOM 1975 O GLN A 125 -9.115 2.880 1.021 1.00 0.00 O ATOM 1976 CB GLN A 125 -8.975 3.712 4.093 1.00 0.00 C ATOM 1977 CG GLN A 125 -9.117 5.131 4.604 1.00 0.00 C ATOM 1978 CD GLN A 125 -9.572 6.052 3.477 1.00 0.00 C ATOM 1979 OE1 GLN A 125 -8.878 7.006 3.133 1.00 0.00 O ATOM 1980 NE2 GLN A 125 -10.708 5.822 2.877 1.00 0.00 N ATOM 0 H GLN A 125 -6.967 5.181 4.059 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.441 2.724 2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -9.938 3.342 3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.657 3.052 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -9.837 5.161 5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -8.165 5.478 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -11.284 5.030 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.019 6.434 2.123 1.00 0.00 H new ATOM 1989 N HIS A 126 -8.784 5.097 1.169 1.00 0.00 N ATOM 1990 CA HIS A 126 -9.453 5.368 -0.096 1.00 0.00 C ATOM 1991 C HIS A 126 -8.783 4.597 -1.228 1.00 0.00 C ATOM 1992 O HIS A 126 -9.379 4.384 -2.283 1.00 0.00 O ATOM 1993 CB HIS A 126 -9.413 6.861 -0.395 1.00 0.00 C ATOM 1994 CG HIS A 126 -9.779 7.101 -1.834 1.00 0.00 C ATOM 1995 ND1 HIS A 126 -8.886 6.881 -2.872 1.00 0.00 N ATOM 1996 CD2 HIS A 126 -10.936 7.547 -2.424 1.00 0.00 C ATOM 1997 CE1 HIS A 126 -9.514 7.193 -4.021 1.00 0.00 C ATOM 1998 NE2 HIS A 126 -10.767 7.604 -3.804 1.00 0.00 N ATOM 0 H HIS A 126 -8.427 5.923 1.650 1.00 0.00 H new ATOM 0 HA HIS A 126 -10.491 5.044 -0.017 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -10.105 7.391 0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -8.417 7.255 -0.193 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -7.928 6.544 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.840 7.813 -1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -9.061 7.120 -4.999 1.00 0.00 H new ATOM 2007 N ASP A 127 -7.541 4.178 -0.999 1.00 0.00 N ATOM 2008 CA ASP A 127 -6.801 3.426 -2.008 1.00 0.00 C ATOM 2009 C ASP A 127 -6.392 2.059 -1.464 1.00 0.00 C ATOM 2010 O ASP A 127 -5.462 1.431 -1.972 1.00 0.00 O ATOM 2011 CB ASP A 127 -5.555 4.206 -2.427 1.00 0.00 C ATOM 2012 CG ASP A 127 -5.898 5.152 -3.573 1.00 0.00 C ATOM 2013 OD1 ASP A 127 -5.789 4.734 -4.713 1.00 0.00 O ATOM 2014 OD2 ASP A 127 -6.266 6.281 -3.291 1.00 0.00 O ATOM 0 H ASP A 127 -7.030 4.344 -0.132 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.446 3.280 -2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -5.167 4.772 -1.580 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -4.770 3.516 -2.736 1.00 0.00 H new ATOM 2019 N LEU A 128 -7.086 1.613 -0.425 1.00 0.00 N ATOM 2020 CA LEU A 128 -6.786 0.326 0.195 1.00 0.00 C ATOM 2021 C LEU A 128 -7.156 -0.834 -0.731 1.00 0.00 C ATOM 2022 O LEU A 128 -8.330 -1.051 -1.030 1.00 0.00 O ATOM 2023 CB LEU A 128 -7.559 0.205 1.515 1.00 0.00 C ATOM 2024 CG LEU A 128 -7.837 -1.265 1.836 1.00 0.00 C ATOM 2025 CD1 LEU A 128 -6.523 -2.049 1.837 1.00 0.00 C ATOM 2026 CD2 LEU A 128 -8.484 -1.365 3.220 1.00 0.00 C ATOM 0 H LEU A 128 -7.859 2.121 0.006 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.714 0.276 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.985 0.658 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.499 0.753 1.445 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.507 -1.680 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.724 -3.096 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.055 -1.976 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.853 -1.635 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.684 -2.411 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.809 -0.949 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.420 -0.807 3.225 1.00 0.00 H new ATOM 2038 N THR A 129 -6.146 -1.585 -1.168 1.00 0.00 N ATOM 2039 CA THR A 129 -6.378 -2.732 -2.042 1.00 0.00 C ATOM 2040 C THR A 129 -6.237 -4.029 -1.251 1.00 0.00 C ATOM 2041 O THR A 129 -7.167 -4.830 -1.185 1.00 0.00 O ATOM 2042 CB THR A 129 -5.382 -2.730 -3.203 1.00 0.00 C ATOM 2043 OG1 THR A 129 -5.685 -1.660 -4.087 1.00 0.00 O ATOM 2044 CG2 THR A 129 -5.473 -4.058 -3.955 1.00 0.00 C ATOM 0 H THR A 129 -5.167 -1.421 -0.933 1.00 0.00 H new ATOM 0 HA THR A 129 -7.389 -2.661 -2.443 1.00 0.00 H new ATOM 0 HB THR A 129 -4.372 -2.602 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 129 -4.871 -1.145 -4.268 1.00 0.00 H new ATOM 0 HG21 THR A 129 -4.763 -4.057 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.237 -4.878 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.483 -4.188 -4.343 1.00 0.00 H new ATOM 2052 N TYR A 130 -5.068 -4.223 -0.643 1.00 0.00 N ATOM 2053 CA TYR A 130 -4.824 -5.422 0.153 1.00 0.00 C ATOM 2054 C TYR A 130 -4.200 -5.050 1.494 1.00 0.00 C ATOM 2055 O TYR A 130 -3.388 -4.128 1.576 1.00 0.00 O ATOM 2056 CB TYR A 130 -3.899 -6.385 -0.592 1.00 0.00 C ATOM 2057 CG TYR A 130 -3.985 -7.746 0.057 1.00 0.00 C ATOM 2058 CD1 TYR A 130 -5.076 -8.582 -0.215 1.00 0.00 C ATOM 2059 CD2 TYR A 130 -2.982 -8.171 0.939 1.00 0.00 C ATOM 2060 CE1 TYR A 130 -5.163 -9.841 0.392 1.00 0.00 C ATOM 2061 CE2 TYR A 130 -3.071 -9.429 1.547 1.00 0.00 C ATOM 2062 CZ TYR A 130 -4.161 -10.264 1.273 1.00 0.00 C ATOM 2063 OH TYR A 130 -4.249 -11.503 1.873 1.00 0.00 O ATOM 0 H TYR A 130 -4.283 -3.573 -0.686 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.781 -5.914 0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -4.187 -6.449 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -2.873 -6.019 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.850 -8.255 -0.893 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -2.140 -7.528 1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.003 -10.486 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -2.299 -9.755 2.228 1.00 0.00 H new ATOM 0 HH TYR A 130 -4.633 -12.146 1.241 1.00 0.00 H new ATOM 2073 N ASN A 131 -4.593 -5.767 2.541 1.00 0.00 N ATOM 2074 CA ASN A 131 -4.073 -5.495 3.877 1.00 0.00 C ATOM 2075 C ASN A 131 -3.089 -6.573 4.317 1.00 0.00 C ATOM 2076 O ASN A 131 -3.483 -7.696 4.627 1.00 0.00 O ATOM 2077 CB ASN A 131 -5.226 -5.436 4.881 1.00 0.00 C ATOM 2078 CG ASN A 131 -6.267 -4.421 4.424 1.00 0.00 C ATOM 2079 OD1 ASN A 131 -6.149 -3.173 4.787 1.00 0.00 O flip ATOM 2080 ND2 ASN A 131 -7.213 -4.774 3.721 1.00 0.00 N flip ATOM 0 H ASN A 131 -5.264 -6.534 2.493 1.00 0.00 H new ATOM 0 HA ASN A 131 -3.553 -4.538 3.844 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -5.684 -6.420 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -4.847 -5.162 5.866 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -7.302 -5.750 3.439 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -7.908 -4.091 3.420 1.00 0.00 H new ATOM 2087 N LEU A 132 -1.808 -6.219 4.362 1.00 0.00 N ATOM 2088 CA LEU A 132 -0.788 -7.167 4.791 1.00 0.00 C ATOM 2089 C LEU A 132 -0.693 -7.140 6.313 1.00 0.00 C ATOM 2090 O LEU A 132 -0.315 -6.127 6.903 1.00 0.00 O ATOM 2091 CB LEU A 132 0.565 -6.776 4.176 1.00 0.00 C ATOM 2092 CG LEU A 132 1.306 -8.006 3.629 1.00 0.00 C ATOM 2093 CD1 LEU A 132 1.777 -8.884 4.789 1.00 0.00 C ATOM 2094 CD2 LEU A 132 0.385 -8.815 2.709 1.00 0.00 C ATOM 0 H LEU A 132 -1.456 -5.295 4.110 1.00 0.00 H new ATOM 0 HA LEU A 132 -1.052 -8.172 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.407 -6.057 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.180 -6.283 4.929 1.00 0.00 H new ATOM 0 HG LEU A 132 2.170 -7.670 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.302 -9.755 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 132 2.450 -8.312 5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.915 -9.211 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.923 -9.684 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.489 -9.146 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.066 -8.191 1.874 1.00 0.00 H new ATOM 2106 N ARG A 133 -1.047 -8.253 6.946 1.00 0.00 N ATOM 2107 CA ARG A 133 -1.009 -8.335 8.401 1.00 0.00 C ATOM 2108 C ARG A 133 0.205 -9.127 8.874 1.00 0.00 C ATOM 2109 O ARG A 133 0.703 -10.001 8.165 1.00 0.00 O ATOM 2110 CB ARG A 133 -2.286 -9.003 8.917 1.00 0.00 C ATOM 2111 CG ARG A 133 -3.505 -8.267 8.359 1.00 0.00 C ATOM 2112 CD ARG A 133 -4.753 -8.685 9.137 1.00 0.00 C ATOM 2113 NE ARG A 133 -4.530 -8.533 10.570 1.00 0.00 N ATOM 2114 CZ ARG A 133 -5.003 -9.420 11.440 1.00 0.00 C ATOM 2115 NH1 ARG A 133 -5.688 -10.451 11.025 1.00 0.00 N ATOM 2116 NH2 ARG A 133 -4.784 -9.258 12.717 1.00 0.00 N ATOM 0 H ARG A 133 -1.361 -9.104 6.479 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.937 -7.322 8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -2.310 -10.050 8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -2.304 -8.985 10.007 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -3.359 -7.190 8.436 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -3.629 -8.497 7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -5.603 -8.077 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -5.002 -9.721 8.909 1.00 0.00 H new ATOM 0 HE ARG A 133 -4.001 -7.731 10.911 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -5.863 -10.579 10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -6.048 -11.128 11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -4.251 -8.452 13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -5.146 -9.937 13.387 1.00 0.00 H new ATOM 2130 N GLU A 134 0.670 -8.820 10.080 1.00 0.00 N ATOM 2131 CA GLU A 134 1.821 -9.512 10.645 1.00 0.00 C ATOM 2132 C GLU A 134 1.369 -10.702 11.488 1.00 0.00 C ATOM 2133 O GLU A 134 0.334 -10.645 12.153 1.00 0.00 O ATOM 2134 CB GLU A 134 2.637 -8.549 11.510 1.00 0.00 C ATOM 2135 CG GLU A 134 2.087 -8.548 12.938 1.00 0.00 C ATOM 2136 CD GLU A 134 2.491 -7.262 13.652 1.00 0.00 C ATOM 2137 OE1 GLU A 134 3.660 -7.125 13.969 1.00 0.00 O ATOM 2138 OE2 GLU A 134 1.623 -6.432 13.870 1.00 0.00 O ATOM 0 H GLU A 134 0.270 -8.100 10.682 1.00 0.00 H new ATOM 0 HA GLU A 134 2.441 -9.877 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 134 3.685 -8.847 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 134 2.593 -7.543 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.001 -8.637 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 134 2.467 -9.412 13.484 1.00 0.00 H new ATOM 2145 N GLY A 135 2.149 -11.778 11.457 1.00 0.00 N ATOM 2146 CA GLY A 135 1.816 -12.973 12.225 1.00 0.00 C ATOM 2147 C GLY A 135 0.610 -13.687 11.625 1.00 0.00 C ATOM 2148 O GLY A 135 -0.514 -13.538 12.104 1.00 0.00 O ATOM 0 H GLY A 135 3.009 -11.848 10.913 1.00 0.00 H new ATOM 0 HA2 GLY A 135 2.671 -13.648 12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 135 1.604 -12.699 13.258 1.00 0.00 H new TER 2152 GLY A 135